developed experimental parameters: Topics by Science.gov

Sample records for developed experimental parameters

Rate-equation modelling and ensemble approach to extraction of parameters for viral infection-induced cell apoptosis and necrosis

NASA Astrophysics Data System (ADS)

Domanskyi, Sergii; Schilling, Joshua E.; Gorshkov, Vyacheslav; Libert, Sergiy; Privman, Vladimir

2016-09-01

We develop a theoretical approach that uses physiochemical kinetics modelling to describe cell population dynamics upon progression of viral infection in cell culture, which results in cell apoptosis (programmed cell death) and necrosis (direct cell death). Several model parameters necessary for computer simulation were determined by reviewing and analyzing available published experimental data. By comparing experimental data to computer modelling results, we identify the parameters that are the most sensitive to the measured system properties and allow for the best data fitting. Our model allows extraction of parameters from experimental data and also has predictive power. Using the model we describe interesting time-dependent quantities that were not directly measured in the experiment and identify correlations among the fitted parameter values. Numerical simulation of viral infection progression is done by a rate-equation approach resulting in a system of "stiff" equations, which are solved by using a novel variant of the stochastic ensemble modelling approach. The latter was originally developed for coupled chemical reactions.
Rate-equation modelling and ensemble approach to extraction of parameters for viral infection-induced cell apoptosis and necrosis

NASA Astrophysics Data System (ADS)

Domanskyi, Sergii; Schilling, Joshua; Gorshkov, Vyacheslav; Libert, Sergiy; Privman, Vladimir

We develop a theoretical approach that uses physiochemical kinetics modelling to describe cell population dynamics upon progression of viral infection in cell culture, which results in cell apoptosis (programmed cell death) and necrosis (direct cell death). Several model parameters necessary for computer simulation were determined by reviewing and analyzing available published experimental data. By comparing experimental data to computer modelling results, we identify the parameters that are the most sensitive to the measured system properties and allow for the best data fitting. Our model allows extraction of parameters from experimental data and also has predictive power. Using the model we describe interesting time-dependent quantities that were not directly measured in the experiment and identify correlations among the fitted parameter values. Numerical simulation of viral infection progression is done by a rate-equation approach resulting in a system of ``stiff'' equations, which are solved by using a novel variant of the stochastic ensemble modelling approach. The latter was originally developed for coupled chemical reactions.
Development of an Agent-Based Model (ABM) to Simulate the Immune System and Integration of a Regression Method to Estimate the Key ABM Parameters by Fitting the Experimental Data

PubMed Central

Tong, Xuming; Chen, Jinghang; Miao, Hongyu; Li, Tingting; Zhang, Le

2015-01-01

Agent-based models (ABM) and differential equations (DE) are two commonly used methods for immune system simulation. However, it is difficult for ABM to estimate key parameters of the model by incorporating experimental data, whereas the differential equation model is incapable of describing the complicated immune system in detail. To overcome these problems, we developed an integrated ABM regression model (IABMR). It can combine the advantages of ABM and DE by employing ABM to mimic the multi-scale immune system with various phenotypes and types of cells as well as using the input and output of ABM to build up the Loess regression for key parameter estimation. Next, we employed the greedy algorithm to estimate the key parameters of the ABM with respect to the same experimental data set and used ABM to describe a 3D immune system similar to previous studies that employed the DE model. These results indicate that IABMR not only has the potential to simulate the immune system at various scales, phenotypes and cell types, but can also accurately infer the key parameters like DE model. Therefore, this study innovatively developed a complex system development mechanism that could simulate the complicated immune system in detail like ABM and validate the reliability and efficiency of model like DE by fitting the experimental data. PMID:26535589
Parametric study of closed wet cooling tower thermal performance

NASA Astrophysics Data System (ADS)

Qasim, S. M.; Hayder, M. J.

2017-08-01

The present study involves experimental and theoretical analysis to evaluate the thermal performance of modified Closed Wet Cooling Tower (CWCT). The experimental study includes: design, manufacture and testing prototype of a modified counter flow forced draft CWCT. The modification based on addition packing to the conventional CWCT. A series of experiments was carried out at different operational parameters. In view of energy analysis, the thermal performance parameters of the tower are: cooling range, tower approach, cooling capacity, thermal efficiency, heat and mass transfer coefficients. The theoretical study included develops Artificial Neural Network (ANN) models to predicting various thermal performance parameters of the tower. Utilizing experimental data for training and testing, the models simulated by multi-layer back propagation algorithm for varying all operational parameters stated in experimental test.
A Probabilistic Approach to Model Update

NASA Technical Reports Server (NTRS)

Horta, Lucas G.; Reaves, Mercedes C.; Voracek, David F.

2001-01-01

Finite element models are often developed for load validation, structural certification, response predictions, and to study alternate design concepts. In rare occasions, models developed with a nominal set of parameters agree with experimental data without the need to update parameter values. Today, model updating is generally heuristic and often performed by a skilled analyst with in-depth understanding of the model assumptions. Parameter uncertainties play a key role in understanding the model update problem and therefore probabilistic analysis tools, developed for reliability and risk analysis, may be used to incorporate uncertainty in the analysis. In this work, probability analysis (PA) tools are used to aid the parameter update task using experimental data and some basic knowledge of potential error sources. Discussed here is the first application of PA tools to update parameters of a finite element model for a composite wing structure. Static deflection data at six locations are used to update five parameters. It is shown that while prediction of individual response values may not be matched identically, the system response is significantly improved with moderate changes in parameter values.
Reduction of low frequency vibration of truck driver and seating system through system parameter identification, sensitivity analysis and active control

NASA Astrophysics Data System (ADS)

Wang, Xu; Bi, Fengrong; Du, Haiping

2018-05-01

This paper aims to develop an 5-degree-of-freedom driver and seating system model for optimal vibration control. A new method for identification of the driver seating system parameters from experimental vibration measurement has been developed. The parameter sensitivity analysis has been conducted considering the random excitation frequency and system parameter uncertainty. The most and least sensitive system parameters for the transmissibility ratio have been identified. The optimised PID controllers have been developed to reduce the driver's body vibration.
Rate-equation modelling and ensemble approach to extraction of parameters for viral infection-induced cell apoptosis and necrosis

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

Domanskyi, Sergii; Schilling, Joshua E.; Privman, Vladimir, E-mail: privman@clarkson.edu

We develop a theoretical approach that uses physiochemical kinetics modelling to describe cell population dynamics upon progression of viral infection in cell culture, which results in cell apoptosis (programmed cell death) and necrosis (direct cell death). Several model parameters necessary for computer simulation were determined by reviewing and analyzing available published experimental data. By comparing experimental data to computer modelling results, we identify the parameters that are the most sensitive to the measured system properties and allow for the best data fitting. Our model allows extraction of parameters from experimental data and also has predictive power. Using the model wemore » describe interesting time-dependent quantities that were not directly measured in the experiment and identify correlations among the fitted parameter values. Numerical simulation of viral infection progression is done by a rate-equation approach resulting in a system of “stiff” equations, which are solved by using a novel variant of the stochastic ensemble modelling approach. The latter was originally developed for coupled chemical reactions.« less
Estimation of the Reactive Flow Model Parameters for an Ammonium Nitrate-Based Emulsion Explosive Using Genetic Algorithms

NASA Astrophysics Data System (ADS)

Ribeiro, J. B.; Silva, C.; Mendes, R.

2010-10-01

A real coded genetic algorithm methodology that has been developed for the estimation of the parameters of the reaction rate equation of the Lee-Tarver reactive flow model is described in detail. This methodology allows, in a single optimization procedure, using only one experimental result and, without the need of any starting solution, to seek the 15 parameters of the reaction rate equation that fit the numerical to the experimental results. Mass averaging and the plate-gap model have been used for the determination of the shock data used in the unreacted explosive JWL equation of state (EOS) assessment and the thermochemical code THOR retrieved the data used in the detonation products' JWL EOS assessments. The developed methodology was applied for the estimation of the referred parameters for an ammonium nitrate-based emulsion explosive using poly(methyl methacrylate) (PMMA)-embedded manganin gauge pressure-time data. The obtained parameters allow a reasonably good description of the experimental data and show some peculiarities arising from the intrinsic nature of this kind of composite explosive.
Simulation model for electron irradiated IGZO thin film transistors

NASA Astrophysics Data System (ADS)

Dayananda, G. K.; Shantharama Rai, C.; Jayarama, A.; Kim, Hyun Jae

2018-02-01

An efficient drain current simulation model for the electron irradiation effect on the electrical parameters of amorphous In-Ga-Zn-O (IGZO) thin-film transistors is developed. The model is developed based on the specifications such as gate capacitance, channel length, channel width, flat band voltage etc. Electrical parameters of un-irradiated IGZO samples were simulated and compared with the experimental parameters and 1 kGy electron irradiated parameters. The effect of electron irradiation on the IGZO sample was analysed by developing a mathematical model.
Developing force fields when experimental data is sparse: AMBER/GAFF-compatible parameters for inorganic and alkyl oxoanions.

PubMed

Kashefolgheta, Sadra; Vila Verde, Ana

2017-08-09

We present a set of Lennard-Jones parameters for classical, all-atom models of acetate and various alkylated and non-alkylated forms of sulfate, sulfonate and phosphate ions, optimized to reproduce their interactions with water and with the physiologically relevant sodium, ammonium and methylammonium cations. The parameters are internally consistent and are fully compatible with the Generalized Amber Force Field (GAFF), the AMBER force field for proteins, the accompanying TIP3P water model and the sodium model of Joung and Cheatham. The parameters were developed primarily relying on experimental information - hydration free energies and solution activity derivatives at 0.5 m concentration - with ab initio, gas phase calculations being used for the cases where experimental information is missing. The ab initio parameterization scheme presented here is distinct from other approaches because it explicitly connects gas phase binding energies to intermolecular interactions in solution. We demonstrate that the original GAFF/AMBER parameters often overestimate anion-cation interactions, leading to an excessive number of contact ion pairs in solutions of carboxylate ions, and to aggregation in solutions of divalent ions. GAFF/AMBER parameters lead to excessive numbers of salt bridges in proteins and of contact ion pairs between sodium and acidic protein groups, issues that are resolved by using the optimized parameters presented here.
A framework for accelerated phototrophic bioprocess development: integration of parallelized microscale cultivation, laboratory automation and Kriging-assisted experimental design.

PubMed

Morschett, Holger; Freier, Lars; Rohde, Jannis; Wiechert, Wolfgang; von Lieres, Eric; Oldiges, Marco

2017-01-01

Even though microalgae-derived biodiesel has regained interest within the last decade, industrial production is still challenging for economic reasons. Besides reactor design, as well as value chain and strain engineering, laborious and slow early-stage parameter optimization represents a major drawback. The present study introduces a framework for the accelerated development of phototrophic bioprocesses. A state-of-the-art micro-photobioreactor supported by a liquid-handling robot for automated medium preparation and product quantification was used. To take full advantage of the technology's experimental capacity, Kriging-assisted experimental design was integrated to enable highly efficient execution of screening applications. The resulting platform was used for medium optimization of a lipid production process using Chlorella vulgaris toward maximum volumetric productivity. Within only four experimental rounds, lipid production was increased approximately threefold to 212 ± 11 mg L -1 d -1 . Besides nitrogen availability as a key parameter, magnesium, calcium and various trace elements were shown to be of crucial importance. Here, synergistic multi-parameter interactions as revealed by the experimental design introduced significant further optimization potential. The integration of parallelized microscale cultivation, laboratory automation and Kriging-assisted experimental design proved to be a fruitful tool for the accelerated development of phototrophic bioprocesses. By means of the proposed technology, the targeted optimization task was conducted in a very timely and material-efficient manner.
Robust parameter design for automatically controlled systems and nanostructure synthesis

NASA Astrophysics Data System (ADS)

Dasgupta, Tirthankar

2007-12-01

This research focuses on developing comprehensive frameworks for developing robust parameter design methodology for dynamic systems with automatic control and for synthesis of nanostructures. In many automatically controlled dynamic processes, the optimal feedback control law depends on the parameter design solution and vice versa and therefore an integrated approach is necessary. A parameter design methodology in the presence of feedback control is developed for processes of long duration under the assumption that experimental noise factors are uncorrelated over time. Systems that follow a pure-gain dynamic model are considered and the best proportional-integral and minimum mean squared error control strategies are developed by using robust parameter design. The proposed method is illustrated using a simulated example and a case study in a urea packing plant. This idea is also extended to cases with on-line noise factors. The possibility of integrating feedforward control with a minimum mean squared error feedback control scheme is explored. To meet the needs of large scale synthesis of nanostructures, it is critical to systematically find experimental conditions under which the desired nanostructures are synthesized reproducibly, at large quantity and with controlled morphology. The first part of the research in this area focuses on modeling and optimization of existing experimental data. Through a rigorous statistical analysis of experimental data, models linking the probabilities of obtaining specific morphologies to the process variables are developed. A new iterative algorithm for fitting a Multinomial GLM is proposed and used. The optimum process conditions, which maximize the above probabilities and make the synthesis process less sensitive to variations of process variables around set values, are derived from the fitted models using Monte-Carlo simulations. The second part of the research deals with development of an experimental design methodology, tailor-made to address the unique phenomena associated with nanostructure synthesis. A sequential space filling design called Sequential Minimum Energy Design (SMED) for exploring best process conditions for synthesis of nanowires. The SMED is a novel approach to generate sequential designs that are model independent, can quickly "carve out" regions with no observable nanostructure morphology, and allow for the exploration of complex response surfaces.
Model-based high-throughput design of ion exchange protein chromatography.

PubMed

Khalaf, Rushd; Heymann, Julia; LeSaout, Xavier; Monard, Florence; Costioli, Matteo; Morbidelli, Massimo

2016-08-12

This work describes the development of a model-based high-throughput design (MHD) tool for the operating space determination of a chromatographic cation-exchange protein purification process. Based on a previously developed thermodynamic mechanistic model, the MHD tool generates a large amount of system knowledge and thereby permits minimizing the required experimental workload. In particular, each new experiment is designed to generate information needed to help refine and improve the model. Unnecessary experiments that do not increase system knowledge are avoided. Instead of aspiring to a perfectly parameterized model, the goal of this design tool is to use early model parameter estimates to find interesting experimental spaces, and to refine the model parameter estimates with each new experiment until a satisfactory set of process parameters is found. The MHD tool is split into four sections: (1) prediction, high throughput experimentation using experiments in (2) diluted conditions and (3) robotic automated liquid handling workstations (robotic workstation), and (4) operating space determination and validation. (1) Protein and resin information, in conjunction with the thermodynamic model, is used to predict protein resin capacity. (2) The predicted model parameters are refined based on gradient experiments in diluted conditions. (3) Experiments on the robotic workstation are used to further refine the model parameters. (4) The refined model is used to determine operating parameter space that allows for satisfactory purification of the protein of interest on the HPLC scale. Each section of the MHD tool is used to define the adequate experimental procedures for the next section, thus avoiding any unnecessary experimental work. We used the MHD tool to design a polishing step for two proteins, a monoclonal antibody and a fusion protein, on two chromatographic resins, in order to demonstrate it has the ability to strongly accelerate the early phases of process development. Copyright © 2016 Elsevier B.V. All rights reserved.
Composite multi-parameter ranking of real and virtual compounds for design of MC4R agonists: renaissance of the Free-Wilson methodology.

PubMed

Nilsson, Ingemar; Polla, Magnus O

2012-10-01

Drug design is a multi-parameter task present in the analysis of experimental data for synthesized compounds and in the prediction of new compounds with desired properties. This article describes the implementation of a binned scoring and composite ranking scheme for 11 experimental parameters that were identified as key drivers in the MC4R project. The composite ranking scheme was implemented in an AstraZeneca tool for analysis of project data, thereby providing an immediate re-ranking as new experimental data was added. The automated ranking also highlighted compounds overlooked by the project team. The successful implementation of a composite ranking on experimental data led to the development of an equivalent virtual score, which was based on Free-Wilson models of the parameters from the experimental ranking. The individual Free-Wilson models showed good to high predictive power with a correlation coefficient between 0.45 and 0.97 based on the external test set. The virtual ranking adds value to the selection of compounds for synthesis but error propagation must be controlled. The experimental ranking approach adds significant value, is parameter independent and can be tuned and applied to any drug discovery project.
On ballistic parameters of less lethal projectiles influencing the severity of thoracic blunt impacts.

PubMed

Pavier, Julien; Langlet, André; Eches, Nicolas; Jacquet, Jean-François

2015-01-01

The development and safety certification of less lethal projectiles require an understanding of the influence of projectile parameters on projectile-chest interaction and on the resulting terminal effect. Several energy-based criteria have been developed for chest injury assessment. Many studies consider kinetic energy (KE) or energy density as the only projectile parameter influencing terminal effect. In a common KE range (100-160 J), analysis of the firing tests of two 40 mm projectiles of different masses on animal surrogates has been made in order to investigate the severity of the injuries in the thoracic region. Experimental results have shown that KE and calibre are not sufficient to discriminate between the two projectiles as regards their injury potential. Parameters, such as momentum, shape and impedance, influence the projectile-chest interaction and terminal effect. A simplified finite element model of projectile-structure interaction confirms the experimental tendencies. Within the range of ballistic parameters used, it has been demonstrated that maximum thoracic deflection is a useful parameter to predict the skeletal level of injury, and it largely depends on the projectile pre-impact momentum. However, numerical simulations show that these results are merely valid for the experimental conditions used and cannot be generalised. Nevertheless, the transmitted impulse seems to be a more general factor governing the thorax deflection.
Experimental Method Development for Estimating Solid-phase Diffusion Coefficients and Material/Air Partition Coefficients of SVOCs

EPA Science Inventory

The solid-phase diffusion coefficient (Dm) and material-air partition coefficient (Kma) are key parameters for characterizing the sources and transport of semivolatile organic compounds (SVOCs) in the indoor environment. In this work, a new experimental method was developed to es...
Determination of JWL Parameters for Non-Ideal Explosive

NASA Astrophysics Data System (ADS)

Hamashima, H.; Kato, Y.; Itoh, S.

2004-07-01

JWL equation of state is widely used in numerical simulation of detonation phenomena. JWL parameters are determined by cylinder test. Detonation characteristics of non-ideal explosive depend strongly on confinement, and JWL parameters determined by cylinder test do not represent the state of detonation products in many applications. We developed a method to determine JWL parameters from the underwater explosion test. JWL parameters were determined through a method of characteristics applied to the configuration of the underwater shock waves of cylindrical explosives. The numerical results obtained using JWL parameters determined by the underwater explosion test and those obtained using JWL parameters determined by cylinder test were compared with experimental results for typical non-ideal explosive; emulsion explosive. Good agreement was confirmed between the results obtained using JWL parameters determined by the underwater explosion test and experimental results.
An improved swarm optimization for parameter estimation and biological model selection.

PubMed

Abdullah, Afnizanfaizal; Deris, Safaai; Mohamad, Mohd Saberi; Anwar, Sohail

2013-01-01

One of the key aspects of computational systems biology is the investigation on the dynamic biological processes within cells. Computational models are often required to elucidate the mechanisms and principles driving the processes because of the nonlinearity and complexity. The models usually incorporate a set of parameters that signify the physical properties of the actual biological systems. In most cases, these parameters are estimated by fitting the model outputs with the corresponding experimental data. However, this is a challenging task because the available experimental data are frequently noisy and incomplete. In this paper, a new hybrid optimization method is proposed to estimate these parameters from the noisy and incomplete experimental data. The proposed method, called Swarm-based Chemical Reaction Optimization, integrates the evolutionary searching strategy employed by the Chemical Reaction Optimization, into the neighbouring searching strategy of the Firefly Algorithm method. The effectiveness of the method was evaluated using a simulated nonlinear model and two biological models: synthetic transcriptional oscillators, and extracellular protease production models. The results showed that the accuracy and computational speed of the proposed method were better than the existing Differential Evolution, Firefly Algorithm and Chemical Reaction Optimization methods. The reliability of the estimated parameters was statistically validated, which suggests that the model outputs produced by these parameters were valid even when noisy and incomplete experimental data were used. Additionally, Akaike Information Criterion was employed to evaluate the model selection, which highlighted the capability of the proposed method in choosing a plausible model based on the experimental data. In conclusion, this paper presents the effectiveness of the proposed method for parameter estimation and model selection problems using noisy and incomplete experimental data. This study is hoped to provide a new insight in developing more accurate and reliable biological models based on limited and low quality experimental data.
The momentum transfer of incompressible turbulent separated flow due to cavities with steps

NASA Technical Reports Server (NTRS)

White, R. E.; Norton, D. J.

1977-01-01

An experimental study was conducted using a plate test bed having a turbulent boundary layer to determine the momentum transfer to the faces of step/cavity combinations on the plate. Experimental data were obtained from configurations including an isolated configuration and an array of blocks in tile patterns. A momentum transfer correlation model of pressure forces on an isolated step/cavity was developed with experimental results to relate flow and geometry parameters. Results of the experiments reveal that isolated step/cavity excrecences do not have a unique and unifying parameter group due in part to cavity depth effects and in part to width parameter scale effects. Drag predictions for tile patterns by a kinetic pressure empirical method predict experimental results well. Trends were not, however, predicted by a method of variable roughness density phenomenology.
Optimization of Protein Backbone Dihedral Angles by Means of Hamiltonian Reweighting

PubMed Central

2016-01-01

Molecular dynamics simulations depend critically on the accuracy of the underlying force fields in properly representing biomolecules. Hence, it is crucial to validate the force-field parameter sets in this respect. In the context of the GROMOS force field, this is usually achieved by comparing simulation data to experimental observables for small molecules. In this study, we develop new amino acid backbone dihedral angle potential energy parameters based on the widely used 54A7 parameter set by matching to experimental J values and secondary structure propensity scales. In order to find the most appropriate backbone parameters, close to 100 000 different combinations of parameters have been screened. However, since the sheer number of combinations considered prohibits actual molecular dynamics simulations for each of them, we instead predicted the values for every combination using Hamiltonian reweighting. While the original 54A7 parameter set fails to reproduce the experimental data, we are able to provide parameters that match significantly better. However, to ensure applicability in the context of larger peptides and full proteins, further studies have to be undertaken. PMID:27559757

Assessing the accuracy of subject-specific, muscle-model parameters determined by optimizing to match isometric strength.

PubMed

DeSmitt, Holly J; Domire, Zachary J

2016-12-01

Biomechanical models are sensitive to the choice of model parameters. Therefore, determination of accurate subject specific model parameters is important. One approach to generate these parameters is to optimize the values such that the model output will match experimentally measured strength curves. This approach is attractive as it is inexpensive and should provide an excellent match to experimentally measured strength. However, given the problem of muscle redundancy, it is not clear that this approach generates accurate individual muscle forces. The purpose of this investigation is to evaluate this approach using simulated data to enable a direct comparison. It is hypothesized that the optimization approach will be able to recreate accurate muscle model parameters when information from measurable parameters is given. A model of isometric knee extension was developed to simulate a strength curve across a range of knee angles. In order to realistically recreate experimentally measured strength, random noise was added to the modeled strength. Parameters were solved for using a genetic search algorithm. When noise was added to the measurements the strength curve was reasonably recreated. However, the individual muscle model parameters and force curves were far less accurate. Based upon this examination, it is clear that very different sets of model parameters can recreate similar strength curves. Therefore, experimental variation in strength measurements has a significant influence on the results. Given the difficulty in accurately recreating individual muscle parameters, it may be more appropriate to perform simulations with lumped actuators representing similar muscles.
Optimization of an angle-beam ultrasonic approach for characterization of impact damage in composites

NASA Astrophysics Data System (ADS)

Henry, Christine; Kramb, Victoria; Welter, John T.; Wertz, John N.; Lindgren, Eric A.; Aldrin, John C.; Zainey, David

2018-04-01

Advances in NDE method development are greatly improved through model-guided experimentation. In the case of ultrasonic inspections, models which provide insight into complex mode conversion processes and sound propagation paths are essential for understanding the experimental data and inverting the experimental data into relevant information. However, models must also be verified using experimental data obtained under well-documented and understood conditions. Ideally, researchers would utilize the model simulations and experimental approach to efficiently converge on the optimal solution. However, variability in experimental parameters introduce extraneous signals that are difficult to differentiate from the anticipated response. This paper discusses the results of an ultrasonic experiment designed to evaluate the effect of controllable variables on the anticipated signal, and the effect of unaccounted for experimental variables on the uncertainty in those results. Controlled experimental parameters include the transducer frequency, incidence beam angle and focal depth.
Analysis of the structural behaviour of colonic segments by inflation tests: Experimental activity and physio-mechanical model.

PubMed

Carniel, Emanuele L; Mencattelli, Margherita; Bonsignori, Gabriella; Fontanella, Chiara G; Frigo, Alessandro; Rubini, Alessandro; Stefanini, Cesare; Natali, Arturo N

2015-11-01

A coupled experimental and computational approach is provided for the identification of the structural behaviour of gastrointestinal regions, accounting for both elastic and visco-elastic properties. The developed procedure is applied to characterize the mechanics of gastrointestinal samples from pig colons. Experimental data about the structural behaviour of colonic segments are provided by inflation tests. Different inflation processes are performed according to progressively increasing top pressure conditions. Each inflation test consists of an air in-flow, according to an almost constant increasing pressure rate, such as 3.5 mmHg/s, up to a prescribed top pressure, which is held constant for about 300 s to allow the development of creep phenomena. Different tests are interspersed by 600 s of rest to allow the recovery of the tissues' mechanical condition. Data from structural tests are post-processed by a physio-mechanical model in order to identify the mechanical parameters that interpret both the non-linear elastic behaviour of the sample, as the instantaneous pressure-stretch trend, and the time-dependent response, as the stretch increase during the creep processes. The parameters are identified by minimizing the discrepancy between experimental and model results. Different sets of parameters are evaluated for different specimens from different pigs. A statistical analysis is performed to evaluate the distribution of the parameters and to assess the reliability of the experimental and computational activities. © IMechE 2015.
Parameterization of an interfacial force field for accurate representation of peptide adsorption free energy on high-density polyethylene

PubMed Central

Abramyan, Tigran M.; Snyder, James A.; Yancey, Jeremy A.; Thyparambil, Aby A.; Wei, Yang; Stuart, Steven J.; Latour, Robert A.

2015-01-01

Interfacial force field (IFF) parameters for use with the CHARMM force field have been developed for interactions between peptides and high-density polyethylene (HDPE). Parameterization of the IFF was performed to achieve agreement between experimental and calculated adsorption free energies of small TGTG–X–GTGT host–guest peptides (T = threonine, G = glycine, and X = variable amino-acid residue) on HDPE, with ±0.5 kcal/mol agreement. This IFF parameter set consists of tuned nonbonded parameters (i.e., partial charges and Lennard–Jones parameters) for use with an in-house-modified CHARMM molecular dynamic program that enables the use of an independent set of force field parameters to control molecular behavior at a solid–liquid interface. The R correlation coefficient between the simulated and experimental peptide adsorption free energies increased from 0.00 for the standard CHARMM force field parameters to 0.88 for the tuned IFF parameters. Subsequent studies are planned to apply the tuned IFF parameter set for the simulation of protein adsorption behavior on an HDPE surface for comparison with experimental values of adsorbed protein orientation and conformation. PMID:25818122
Development of a Laboratory Synchrophasor Network and an Application to Estimate Transmission Line Parameters in Real Time

NASA Astrophysics Data System (ADS)

Almiron Bonnin, Rubens Eduardo

The development of an experimental synchrophasors network and application of synchrophasors for real-time transmission line parameter monitoring are presented in this thesis. In the laboratory setup, a power system is simulated in a RTDS real-time digital simulator, and the simulated voltages and currents are input to hardware phasor measurement units (PMUs) through the analog outputs of the simulator. Time synchronizing signals for the PMU devices are supplied from a common GPS clock. The real time data collected from PMUs are sent to a phasor data concentrator (PDC) through Ethernet using the TCP/IP protocol. A real-time transmission line parameter monitoring application program that uses the synchrophasor data provided by the PDC is implemented and validated. The experimental synchrophasor network developed in this thesis is expected to be used in research on synchrophasor applications as well as in graduate and undergraduate teaching.
Biomass viability: An experimental study and the development of an empirical mathematical model for submerged membrane bioreactor.

PubMed

Zuthi, M F R; Ngo, H H; Guo, W S; Nghiem, L D; Hai, F I; Xia, S Q; Zhang, Z Q; Li, J X

2015-08-01

This study investigates the influence of key biomass parameters on specific oxygen uptake rate (SOUR) in a sponge submerged membrane bioreactor (SSMBR) to develop mathematical models of biomass viability. Extra-cellular polymeric substances (EPS) were considered as a lumped parameter of bound EPS (bEPS) and soluble microbial products (SMP). Statistical analyses of experimental results indicate that the bEPS, SMP, mixed liquor suspended solids and volatile suspended solids (MLSS and MLVSS) have functional relationships with SOUR and their relative influence on SOUR was in the order of EPS>bEPS>SMP>MLVSS/MLSS. Based on correlations among biomass parameters and SOUR, two independent empirical models of biomass viability were developed. The models were validated using results of the SSMBR. However, further validation of the models for different operating conditions is suggested. Copyright © 2015 Elsevier Ltd. All rights reserved.
Parameter space of experimental chaotic circuits with high-precision control parameters.

PubMed

de Sousa, Francisco F G; Rubinger, Rero M; Sartorelli, José C; Albuquerque, Holokx A; Baptista, Murilo S

2016-08-01

We report high-resolution measurements that experimentally confirm a spiral cascade structure and a scaling relationship of shrimps in the Chua's circuit. Circuits constructed using this component allow for a comprehensive characterization of the circuit behaviors through high resolution parameter spaces. To illustrate the power of our technological development for the creation and the study of chaotic circuits, we constructed a Chua circuit and study its high resolution parameter space. The reliability and stability of the designed component allowed us to obtain data for long periods of time (∼21 weeks), a data set from which an accurate estimation of Lyapunov exponents for the circuit characterization was possible. Moreover, this data, rigorously characterized by the Lyapunov exponents, allows us to reassure experimentally that the shrimps, stable islands embedded in a domain of chaos in the parameter spaces, can be observed in the laboratory. Finally, we confirm that their sizes decay exponentially with the period of the attractor, a result expected to be found in maps of the quadratic family.
An experimental and modeling study of isothermal charge/discharge behavior of commercial Ni-MH cells

NASA Astrophysics Data System (ADS)

Pan, Y. H.; Srinivasan, V.; Wang, C. Y.

In this study, a previously developed nickel-metal hydride (Ni-MH) battery model is applied in conjunction with experimental characterization. Important geometric parameters, including the active surface area and micro-diffusion length for both electrodes, are measured and incorporated in the model. The kinetic parameters of the oxygen evolution reaction are also characterized using constant potential experiments. Two separate equilibrium equations for the Ni electrode, one for charge and the other for discharge, are determined to provide a better description of the electrode hysteresis effect, and their use results in better agreement of simulation results with experimental data on both charge and discharge. The Ni electrode kinetic parameters are re-calibrated for the battery studied. The Ni-MH cell model coupled with the updated electrochemical properties is then used to simulate a wide range of experimental discharge and charge curves with satisfactory agreement. The experimentally validated model is used to predict and compare various charge algorithms so as to provide guidelines for application-specific optimization.
Experimental design approach to the process parameter optimization for laser welding of martensitic stainless steels in a constrained overlap configuration

NASA Astrophysics Data System (ADS)

Khan, M. M. A.; Romoli, L.; Fiaschi, M.; Dini, G.; Sarri, F.

2011-02-01

This paper presents an experimental design approach to process parameter optimization for the laser welding of martensitic AISI 416 and AISI 440FSe stainless steels in a constrained overlap configuration in which outer shell was 0.55 mm thick. To determine the optimal laser-welding parameters, a set of mathematical models were developed relating welding parameters to each of the weld characteristics. These were validated both statistically and experimentally. The quality criteria set for the weld to determine optimal parameters were the minimization of weld width and the maximization of weld penetration depth, resistance length and shearing force. Laser power and welding speed in the range 855-930 W and 4.50-4.65 m/min, respectively, with a fiber diameter of 300 μm were identified as the optimal set of process parameters. However, the laser power and welding speed can be reduced to 800-840 W and increased to 4.75-5.37 m/min, respectively, to obtain stronger and better welds.
Experimental Investigation and Optimization of Response Variables in WEDM of Inconel - 718

NASA Astrophysics Data System (ADS)

Karidkar, S. S.; Dabade, U. A.

2016-02-01

Effective utilisation of Wire Electrical Discharge Machining (WEDM) technology is challenge for modern manufacturing industries. Day by day new materials with high strengths and capabilities are being developed to fulfil the customers need. Inconel - 718 is similar kind of material which is extensively used in aerospace applications, such as gas turbine, rocket motors, and spacecraft as well as in nuclear reactors and pumps etc. This paper deals with the experimental investigation of optimal machining parameters in WEDM for Surface Roughness, Kerf Width and Dimensional Deviation using DoE such as Taguchi methodology, L9 orthogonal array. By keeping peak current constant at 70 A, the effect of other process parameters on above response variables were analysed. Obtained experimental results were statistically analysed using Minitab-16 software. Analysis of Variance (ANOVA) shows pulse on time as the most influential parameter followed by wire tension whereas spark gap set voltage is observed to be non-influencing parameter. Multi-objective optimization technique, Grey Relational Analysis (GRA), shows optimal machining parameters such as pulse on time 108 Machine unit, spark gap set voltage 50 V and wire tension 12 gm for optimal response variables considered for the experimental analysis.
Development and parameter identification of a visco-hyperelastic model for the periodontal ligament.

PubMed

Huang, Huixiang; Tang, Wencheng; Tan, Qiyan; Yan, Bin

2017-04-01

The present study developed and implemented a new visco-hyperelastic model that is capable of predicting the time-dependent biomechanical behavior of the periodontal ligament. The constitutive model has been implemented into the finite element package ABAQUS by means of a user-defined material subroutine (UMAT). The stress response is decomposed into two constitutive parts in parallel which are a hyperelastic and a time-dependent viscoelastic stress response. In order to identify the model parameters, the indentation equation based on V-W hyperelastic model and the indentation creep model are developed. Then the parameters are determined by fitting them to the corresponding nanoindentation experimental data of the PDL. The nanoindentation experiment was simulated by finite element analysis to validate the visco-hyperelastic model. The simulated results are in good agreement with the experimental data, which demonstrates that the visco-hyperelastic model developed is able to accurately predict the time-dependent mechanical behavior of the PDL. Copyright © 2017 Elsevier Ltd. All rights reserved.
Determination of heat capacity of ionic liquid based nanofluids using group method of data handling technique

NASA Astrophysics Data System (ADS)

Sadi, Maryam

2018-01-01

In this study a group method of data handling model has been successfully developed to predict heat capacity of ionic liquid based nanofluids by considering reduced temperature, acentric factor and molecular weight of ionic liquids, and nanoparticle concentration as input parameters. In order to accomplish modeling, 528 experimental data points extracted from the literature have been divided into training and testing subsets. The training set has been used to predict model coefficients and the testing set has been applied for model validation. The ability and accuracy of developed model, has been evaluated by comparison of model predictions with experimental values using different statistical parameters such as coefficient of determination, mean square error and mean absolute percentage error. The mean absolute percentage error of developed model for training and testing sets are 1.38% and 1.66%, respectively, which indicate excellent agreement between model predictions and experimental data. Also, the results estimated by the developed GMDH model exhibit a higher accuracy when compared to the available theoretical correlations.
Prediction of Tensile Strength of Friction Stir Weld Joints with Adaptive Neuro-Fuzzy Inference System (ANFIS) and Neural Network

NASA Technical Reports Server (NTRS)

Dewan, Mohammad W.; Huggett, Daniel J.; Liao, T. Warren; Wahab, Muhammad A.; Okeil, Ayman M.

2015-01-01

Friction-stir-welding (FSW) is a solid-state joining process where joint properties are dependent on welding process parameters. In the current study three critical process parameters including spindle speed (??), plunge force (????), and welding speed (??) are considered key factors in the determination of ultimate tensile strength (UTS) of welded aluminum alloy joints. A total of 73 weld schedules were welded and tensile properties were subsequently obtained experimentally. It is observed that all three process parameters have direct influence on UTS of the welded joints. Utilizing experimental data, an optimized adaptive neuro-fuzzy inference system (ANFIS) model has been developed to predict UTS of FSW joints. A total of 1200 models were developed by varying the number of membership functions (MFs), type of MFs, and combination of four input variables (??,??,????,??????) utilizing a MATLAB platform. Note EFI denotes an empirical force index derived from the three process parameters. For comparison, optimized artificial neural network (ANN) models were also developed to predict UTS from FSW process parameters. By comparing ANFIS and ANN predicted results, it was found that optimized ANFIS models provide better results than ANN. This newly developed best ANFIS model could be utilized for prediction of UTS of FSW joints.
Determination of extra trajectory parameters of projectile layout motion

NASA Astrophysics Data System (ADS)

Ishchenko, A.; Burkin, V.; Faraponov, V.; Korolkov, L.; Maslov, E.; Diachkovskiy, A.; Chupashev, A.; Zykova, A.

2017-11-01

The paper presents a brief description of the experimental track developed and implemented on the base of the RIAMM TSU for external trajectory investigations on determining the main aeroballistic parameters of various shapes projectiles, in the wide velocity range. There is comparison between the experimentally obtained dependence of the fin-stabilized projectile mock-up aerodynamic drag coefficient on the Mach number with the 1958 aerodynamic drag law and aerodynamic tests of the same mock-up
Characterizing the Response of Composite Panels to a Pyroshock Induced Environment Using Design of Experiments Methodology

NASA Technical Reports Server (NTRS)

Parsons, David S.; Ordway, David; Johnson, Kenneth

2013-01-01

This experimental study seeks to quantify the impact various composite parameters have on the structural response of a composite structure in a pyroshock environment. The prediction of an aerospace structure's response to pyroshock induced loading is largely dependent on empirical databases created from collections of development and flight test data. While there is significant structural response data due to pyroshock induced loading for metallic structures, there is much less data available for composite structures. One challenge of developing a composite pyroshock response database as well as empirical prediction methods for composite structures is the large number of parameters associated with composite materials. This experimental study uses data from a test series planned using design of experiments (DOE) methods. Statistical analysis methods are then used to identify which composite material parameters most greatly influence a flat composite panel's structural response to pyroshock induced loading. The parameters considered are panel thickness, type of ply, ply orientation, and pyroshock level induced into the panel. The results of this test will aid in future large scale testing by eliminating insignificant parameters as well as aid in the development of empirical scaling methods for composite structures' response to pyroshock induced loading.
Characterizing the Response of Composite Panels to a Pyroshock Induced Environment using Design of Experiments Methodology

NASA Technical Reports Server (NTRS)

Parsons, David S.; Ordway, David O.; Johnson, Kenneth L.

2013-01-01

This experimental study seeks to quantify the impact various composite parameters have on the structural response of a composite structure in a pyroshock environment. The prediction of an aerospace structure's response to pyroshock induced loading is largely dependent on empirical databases created from collections of development and flight test data. While there is significant structural response data due to pyroshock induced loading for metallic structures, there is much less data available for composite structures. One challenge of developing a composite pyroshock response database as well as empirical prediction methods for composite structures is the large number of parameters associated with composite materials. This experimental study uses data from a test series planned using design of experiments (DOE) methods. Statistical analysis methods are then used to identify which composite material parameters most greatly influence a flat composite panel's structural response to pyroshock induced loading. The parameters considered are panel thickness, type of ply, ply orientation, and pyroshock level induced into the panel. The results of this test will aid in future large scale testing by eliminating insignificant parameters as well as aid in the development of empirical scaling methods for composite structures' response to pyroshock induced loading.
Development of an Uncertainty Quantification Predictive Chemical Reaction Model for Syngas Combustion

DOE PAGES

Slavinskaya, N. A.; Abbasi, M.; Starcke, J. H.; ...

2017-01-24

An automated data-centric infrastructure, Process Informatics Model (PrIMe), was applied to validation and optimization of a syngas combustion model. The Bound-to-Bound Data Collaboration (B2BDC) module of PrIMe was employed to discover the limits of parameter modifications based on uncertainty quantification (UQ) and consistency analysis of the model–data system and experimental data, including shock-tube ignition delay times and laminar flame speeds. Existing syngas reaction models are reviewed, and the selected kinetic data are described in detail. Empirical rules were developed and applied to evaluate the uncertainty bounds of the literature experimental data. Here, the initial H 2/CO reaction model, assembled frommore » 73 reactions and 17 species, was subjected to a B2BDC analysis. For this purpose, a dataset was constructed that included a total of 167 experimental targets and 55 active model parameters. Consistency analysis of the composed dataset revealed disagreement between models and data. Further analysis suggested that removing 45 experimental targets, 8 of which were self-inconsistent, would lead to a consistent dataset. This dataset was subjected to a correlation analysis, which highlights possible directions for parameter modification and model improvement. Additionally, several methods of parameter optimization were applied, some of them unique to the B2BDC framework. The optimized models demonstrated improved agreement with experiments compared to the initially assembled model, and their predictions for experiments not included in the initial dataset (i.e., a blind prediction) were investigated. The results demonstrate benefits of applying the B2BDC methodology for developing predictive kinetic models.« less
Development of an Uncertainty Quantification Predictive Chemical Reaction Model for Syngas Combustion

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

Slavinskaya, N. A.; Abbasi, M.; Starcke, J. H.

An automated data-centric infrastructure, Process Informatics Model (PrIMe), was applied to validation and optimization of a syngas combustion model. The Bound-to-Bound Data Collaboration (B2BDC) module of PrIMe was employed to discover the limits of parameter modifications based on uncertainty quantification (UQ) and consistency analysis of the model–data system and experimental data, including shock-tube ignition delay times and laminar flame speeds. Existing syngas reaction models are reviewed, and the selected kinetic data are described in detail. Empirical rules were developed and applied to evaluate the uncertainty bounds of the literature experimental data. Here, the initial H 2/CO reaction model, assembled frommore » 73 reactions and 17 species, was subjected to a B2BDC analysis. For this purpose, a dataset was constructed that included a total of 167 experimental targets and 55 active model parameters. Consistency analysis of the composed dataset revealed disagreement between models and data. Further analysis suggested that removing 45 experimental targets, 8 of which were self-inconsistent, would lead to a consistent dataset. This dataset was subjected to a correlation analysis, which highlights possible directions for parameter modification and model improvement. Additionally, several methods of parameter optimization were applied, some of them unique to the B2BDC framework. The optimized models demonstrated improved agreement with experiments compared to the initially assembled model, and their predictions for experiments not included in the initial dataset (i.e., a blind prediction) were investigated. The results demonstrate benefits of applying the B2BDC methodology for developing predictive kinetic models.« less
Carbon-13 and proton nuclear magnetic resonance analysis of shale-derived refinery products and jet fuels and of experimental referee broadened-specification jet fuels

NASA Technical Reports Server (NTRS)

Dalling, D. K.; Bailey, B. K.; Pugmire, R. J.

1984-01-01

A proton and carbon-13 nuclear magnetic resonance (NMR) study was conducted of Ashland shale oil refinery products, experimental referee broadened-specification jet fuels, and of related isoprenoid model compounds. Supercritical fluid chromatography techniques using carbon dioxide were developed on a preparative scale, so that samples could be quantitatively separated into saturates and aromatic fractions for study by NMR. An optimized average parameter treatment was developed, and the NMR results were analyzed in terms of the resulting average parameters; formulation of model mixtures was demonstrated. Application of novel spectroscopic techniques to fuel samples was investigated.
Systematic methods for the design of a class of fuzzy logic controllers

NASA Astrophysics Data System (ADS)

Yasin, Saad Yaser

2002-09-01

Fuzzy logic control, a relatively new branch of control, can be used effectively whenever conventional control techniques become inapplicable or impractical. Various attempts have been made to create a generalized fuzzy control system and to formulate an analytically based fuzzy control law. In this study, two methods, the left and right parameterization method and the normalized spline-base membership function method, were utilized for formulating analytical fuzzy control laws in important practical control applications. The first model was used to design an idle speed controller, while the second was used to control an inverted control problem. The results of both showed that a fuzzy logic control system based on the developed models could be used effectively to control highly nonlinear and complex systems. This study also investigated the application of fuzzy control in areas not fully utilizing fuzzy logic control. Three important practical applications pertaining to the automotive industries were studied. The first automotive-related application was the idle speed of spark ignition engines, using two fuzzy control methods: (1) left and right parameterization, and (2) fuzzy clustering techniques and experimental data. The simulation and experimental results showed that a conventional controller-like performance fuzzy controller could be designed based only on experimental data and intuitive knowledge of the system. In the second application, the automotive cruise control problem, a fuzzy control model was developed using parameters adaptive Proportional plus Integral plus Derivative (PID)-type fuzzy logic controller. Results were comparable to those using linearized conventional PID and linear quadratic regulator (LQR) controllers and, in certain cases and conditions, the developed controller outperformed the conventional PID and LQR controllers. The third application involved the air/fuel ratio control problem, using fuzzy clustering techniques, experimental data, and a conversion algorithm, to develop a fuzzy-based control algorithm. Results were similar to those obtained by recently published conventional control based studies. The influence of the fuzzy inference operators and parameters on performance and stability of the fuzzy logic controller was studied Results indicated that, the selections of certain parameters or combinations of parameters, affect greatly the performance and stability of the fuzzy controller. Diagnostic guidelines used to tune or change certain factors or parameters to improve controller performance were developed based on knowledge gained from conventional control methods and knowledge gained from the experimental and the simulation results of this study.

Theoretical and experimental researches of the liquid evaporation during thermal vacuum influences

NASA Astrophysics Data System (ADS)

Trushlyakov, V.; Panichkin, A.; Prusova, O.; Zharikov, K.; Dron, M.

2018-01-01

The mathematical model of the evaporation process of model liquid with the free surface boundary conditions of the "mirror" type under thermal vacuum influence and the numerical estimates of the evaporation process parameters are developed. An experimental stand, comprising a vacuum chamber, an experimental model tank with a heating element is designed; the experimental data are obtained. A comparative analysis of numerical and experimental results showed their close match.
[Effect of melaxen and valdoxan on free radical processes intensity, aconitate hydratase activity and citrate content in rats tissues under hyperthyroidism].

PubMed

Gorbenko, M V; Popova, T N; Shul'gin, K K; Popov, S S; Agarkov, A A

2014-01-01

The influence of melaxen and valdoxan on the biochemiluminescence parameters, aconitate hydratase activity and citrate level in rats heart and liver during development of experimental hyperthyroidism has been investigated. Administration of these substances promoted a decrease of biochemiluminescence parameters, which had been increased in tissues of rats in response to the development of oxidative stress under hyperthyroidism. Aconitate hydratase activity and citrate concentration in rats liver and heart, growing at pathological conditions, changed towards control value after administration of the drugs correcting melatonin level. The results indicate the positive effect of valdoxan and melaxen on oxidative status of the organism under the development of experimental hyperthyroidism that is associated with antioxidant action of melatonin.
An Improved Swarm Optimization for Parameter Estimation and Biological Model Selection

PubMed Central

Abdullah, Afnizanfaizal; Deris, Safaai; Mohamad, Mohd Saberi; Anwar, Sohail

2013-01-01

One of the key aspects of computational systems biology is the investigation on the dynamic biological processes within cells. Computational models are often required to elucidate the mechanisms and principles driving the processes because of the nonlinearity and complexity. The models usually incorporate a set of parameters that signify the physical properties of the actual biological systems. In most cases, these parameters are estimated by fitting the model outputs with the corresponding experimental data. However, this is a challenging task because the available experimental data are frequently noisy and incomplete. In this paper, a new hybrid optimization method is proposed to estimate these parameters from the noisy and incomplete experimental data. The proposed method, called Swarm-based Chemical Reaction Optimization, integrates the evolutionary searching strategy employed by the Chemical Reaction Optimization, into the neighbouring searching strategy of the Firefly Algorithm method. The effectiveness of the method was evaluated using a simulated nonlinear model and two biological models: synthetic transcriptional oscillators, and extracellular protease production models. The results showed that the accuracy and computational speed of the proposed method were better than the existing Differential Evolution, Firefly Algorithm and Chemical Reaction Optimization methods. The reliability of the estimated parameters was statistically validated, which suggests that the model outputs produced by these parameters were valid even when noisy and incomplete experimental data were used. Additionally, Akaike Information Criterion was employed to evaluate the model selection, which highlighted the capability of the proposed method in choosing a plausible model based on the experimental data. In conclusion, this paper presents the effectiveness of the proposed method for parameter estimation and model selection problems using noisy and incomplete experimental data. This study is hoped to provide a new insight in developing more accurate and reliable biological models based on limited and low quality experimental data. PMID:23593445
Assessing first-order emulator inference for physical parameters in nonlinear mechanistic models

USGS Publications Warehouse

Hooten, Mevin B.; Leeds, William B.; Fiechter, Jerome; Wikle, Christopher K.

2011-01-01

We present an approach for estimating physical parameters in nonlinear models that relies on an approximation to the mechanistic model itself for computational efficiency. The proposed methodology is validated and applied in two different modeling scenarios: (a) Simulation and (b) lower trophic level ocean ecosystem model. The approach we develop relies on the ability to predict right singular vectors (resulting from a decomposition of computer model experimental output) based on the computer model input and an experimental set of parameters. Critically, we model the right singular vectors in terms of the model parameters via a nonlinear statistical model. Specifically, we focus our attention on first-order models of these right singular vectors rather than the second-order (covariance) structure.
Application of experimental design in geothermal resources assessment of Ciwidey-Patuha, West Java, Indonesia

NASA Astrophysics Data System (ADS)

Ashat, Ali; Pratama, Heru Berian

2017-12-01

The successful Ciwidey-Patuha geothermal field size assessment required integration data analysis of all aspects to determined optimum capacity to be installed. Resources assessment involve significant uncertainty of subsurface information and multiple development scenarios from these field. Therefore, this paper applied the application of experimental design approach to the geothermal numerical simulation of Ciwidey-Patuha to generate probabilistic resource assessment result. This process assesses the impact of evaluated parameters affecting resources and interacting between these parameters. This methodology have been successfully estimated the maximum resources with polynomial function covering the entire range of possible values of important reservoir parameters.
Development of method for experimental determination of wheel-rail contact forces and contact point position by using instrumented wheelset

NASA Astrophysics Data System (ADS)

Bižić, Milan B.; Petrović, Dragan Z.; Tomić, Miloš C.; Djinović, Zoran V.

2017-07-01

This paper presents the development of a unique method for experimental determination of wheel-rail contact forces and contact point position by using the instrumented wheelset (IWS). Solutions of key problems in the development of IWS are proposed, such as the determination of optimal locations, layout, number and way of connecting strain gauges as well as the development of an inverse identification algorithm (IIA). The base for the solution of these problems is the wheel model and results of FEM calculations, while IIA is based on the method of blind source separation using independent component analysis. In the first phase, the developed method was tested on a wheel model and a high accuracy was obtained (deviations of parameters obtained with IIA and really applied parameters in the model are less than 2%). In the second phase, experimental tests on the real object or IWS were carried out. The signal-to-noise ratio was identified as the main influential parameter on the measurement accuracy. Тhе obtained results have shown that the developed method enables measurement of vertical and lateral wheel-rail contact forces Q and Y and their ratio Y/Q with estimated errors of less than 10%, while the estimated measurement error of contact point position is less than 15%. At flange contact and higher values of ratio Y/Q or Y force, the measurement errors are reduced, which is extremely important for the reliability and quality of experimental tests of safety against derailment of railway vehicles according to the standards UIC 518 and EN 14363. The obtained results have shown that the proposed method can be successfully applied in solving the problem of high accuracy measurement of wheel-rail contact forces and contact point position using IWS.
Novel methods to estimate the enantiomeric ratio and the kinetic parameters of enantiospecific enzymatic reactions.

PubMed

Machado, G D.C.; Paiva, L M.C.; Pinto, G F.; Oestreicher, E G.

2001-03-08

1The Enantiomeric Ratio (E) of the enzyme, acting as specific catalysts in resolution of enantiomers, is an important parameter in the quantitative description of these chiral resolution processes. In the present work, two novel methods hereby called Method I and II, for estimating E and the kinetic parameters Km and Vm of enantiomers were developed. These methods are based upon initial rate (v) measurements using different concentrations of enantiomeric mixtures (C) with several molar fractions of the substrate (x). Both methods were tested using simulated "experimental data" and actual experimental data. Method I is easier to use than Method II but requires that one of the enantiomers is available in pure form. Method II, besides not requiring the enantiomers in pure form shown better results, as indicated by the magnitude of the standard errors of estimates. The theoretical predictions were experimentally confirmed by using the oxidation of 2-butanol and 2-pentanol catalyzed by Thermoanaerobium brockii alcohol dehydrogenase as reaction models. The parameters E, Km and Vm were estimated by Methods I and II with precision and were not significantly different from those obtained experimentally by direct estimation of E from the kinetic parameters of each enantiomer available in pure form.
Experimental validation of a new heterogeneous mechanical test design

NASA Astrophysics Data System (ADS)

Aquino, J.; Campos, A. Andrade; Souto, N.; Thuillier, S.

2018-05-01

Standard material parameters identification strategies generally use an extensive number of classical tests for collecting the required experimental data. However, a great effort has been made recently by the scientific and industrial communities to support this experimental database on heterogeneous tests. These tests can provide richer information on the material behavior allowing the identification of a more complete set of material parameters. This is a result of the recent development of full-field measurements techniques, like digital image correlation (DIC), that can capture the heterogeneous deformation fields on the specimen surface during the test. Recently, new specimen geometries were designed to enhance the richness of the strain field and capture supplementary strain states. The butterfly specimen is an example of these new geometries, designed through a numerical optimization procedure where an indicator capable of evaluating the heterogeneity and the richness of strain information. However, no experimental validation was yet performed. The aim of this work is to experimentally validate the heterogeneous butterfly mechanical test in the parameter identification framework. For this aim, DIC technique and a Finite Element Model Up-date inverse strategy are used together for the parameter identification of a DC04 steel, as well as the calculation of the indicator. The experimental tests are carried out in a universal testing machine with the ARAMIS measuring system to provide the strain states on the specimen surface. The identification strategy is accomplished with the data obtained from the experimental tests and the results are compared to a reference numerical solution.
Optimizing LX-17 Thermal Decomposition Model Parameters with Evolutionary Algorithms

NASA Astrophysics Data System (ADS)

Moore, Jason; McClelland, Matthew; Tarver, Craig; Hsu, Peter; Springer, H. Keo

2017-06-01

We investigate and model the cook-off behavior of LX-17 because this knowledge is critical to understanding system response in abnormal thermal environments. Thermal decomposition of LX-17 has been explored in conventional ODTX (One-Dimensional Time-to-eXplosion), PODTX (ODTX with pressure-measurement), TGA (thermogravimetric analysis), and DSC (differential scanning calorimetry) experiments using varied temperature profiles. These experimental data are the basis for developing multiple reaction schemes with coupled mechanics in LLNL's multi-physics hydrocode, ALE3D (Arbitrary Lagrangian-Eulerian code in 2D and 3D). We employ evolutionary algorithms to optimize reaction rate parameters on high performance computing clusters. Once experimentally validated, this model will be scalable to a number of applications involving LX-17 and can be used to develop more sophisticated experimental methods. Furthermore, the optimization methodology developed herein should be applicable to other high explosive materials. This work was performed under the auspices of the U.S. DOE by LLNL under contract DE-AC52-07NA27344. LLNS, LLC.
IPMP Global Fit - A one-step direct data analysis tool for predictive microbiology.

PubMed

Huang, Lihan

2017-12-04

The objective of this work is to develop and validate a unified optimization algorithm for performing one-step global regression analysis of isothermal growth and survival curves for determination of kinetic parameters in predictive microbiology. The algorithm is incorporated with user-friendly graphical interfaces (GUIs) to develop a data analysis tool, the USDA IPMP-Global Fit. The GUIs are designed to guide the users to easily navigate through the data analysis process and properly select the initial parameters for different combinations of mathematical models. The software is developed for one-step kinetic analysis to directly construct tertiary models by minimizing the global error between the experimental observations and mathematical models. The current version of the software is specifically designed for constructing tertiary models with time and temperature as the independent model parameters in the package. The software is tested with a total of 9 different combinations of primary and secondary models for growth and survival of various microorganisms. The results of data analysis show that this software provides accurate estimates of kinetic parameters. In addition, it can be used to improve the experimental design and data collection for more accurate estimation of kinetic parameters. IPMP-Global Fit can be used in combination with the regular USDA-IPMP for solving the inverse problems and developing tertiary models in predictive microbiology. Published by Elsevier B.V.
Experimental Optimization of a Free-to-Rotate Wing for Small UAS

NASA Technical Reports Server (NTRS)

Logan, Michael J.; DeLoach, Richard; Copeland, Tiwana; Vo, Steven

2014-01-01

This paper discusses an experimental investigation conducted to optimize a free-to-rotate wing for use on a small unmanned aircraft system (UAS). Although free-to-rotate wings have been used for decades on various small UAS and small manned aircraft, little is known about how to optimize these unusual wings for a specific application. The paper discusses some of the design rationale of the basic wing. In addition, three main parameters were selected for "optimization", wing camber, wing pivot location, and wing center of gravity (c.g.) location. A small apparatus was constructed to enable some simple experimental analysis of these parameters. A design-of-experiment series of tests were first conducted to discern which of the main optimization parameters were most likely to have the greatest impact on the outputs of interest, namely, some measure of "stability", some measure of the lift being generated at the neutral position, and how quickly the wing "recovers" from an upset. A second set of tests were conducted to develop a response-surface numerical representation of these outputs as functions of the three primary inputs. The response surface numerical representations are then used to develop an "optimum" within the trade space investigated. The results of the optimization are then tested experimentally to validate the predictions.
Experimental Design for Parameter Estimation of Gene Regulatory Networks

PubMed Central

Timmer, Jens

2012-01-01

Systems biology aims for building quantitative models to address unresolved issues in molecular biology. In order to describe the behavior of biological cells adequately, gene regulatory networks (GRNs) are intensively investigated. As the validity of models built for GRNs depends crucially on the kinetic rates, various methods have been developed to estimate these parameters from experimental data. For this purpose, it is favorable to choose the experimental conditions yielding maximal information. However, existing experimental design principles often rely on unfulfilled mathematical assumptions or become computationally demanding with growing model complexity. To solve this problem, we combined advanced methods for parameter and uncertainty estimation with experimental design considerations. As a showcase, we optimized three simulated GRNs in one of the challenges from the Dialogue for Reverse Engineering Assessment and Methods (DREAM). This article presents our approach, which was awarded the best performing procedure at the DREAM6 Estimation of Model Parameters challenge. For fast and reliable parameter estimation, local deterministic optimization of the likelihood was applied. We analyzed identifiability and precision of the estimates by calculating the profile likelihood. Furthermore, the profiles provided a way to uncover a selection of most informative experiments, from which the optimal one was chosen using additional criteria at every step of the design process. In conclusion, we provide a strategy for optimal experimental design and show its successful application on three highly nonlinear dynamic models. Although presented in the context of the GRNs to be inferred for the DREAM6 challenge, the approach is generic and applicable to most types of quantitative models in systems biology and other disciplines. PMID:22815723
Development and evaluation of a musculoskeletal model of the elbow joint complex

NASA Technical Reports Server (NTRS)

Gonzalez, Roger V.; Hutchins, E. L.; Barr, Ronald E.; Abraham, Lawrence D.

1993-01-01

This paper describes the development and evaluation of a musculoskeletal model that represents human elbow flexion-extension and forearm pronation-supination. The length, velocity, and moment arm for each of the eight musculotendon actuators were based on skeletal anatomy and position. Musculotendon parameters were determined for each actuator and verified by comparing analytical torque-angle curves with experimental joint torque data. The parameters and skeletal geometry were also utilized in the musculoskeletal model for the analysis of ballistic elbow joint complex movements. The key objective was to develop a computational model, guided by parameterized optimal control, to investigate the relationship among patterns of muscle excitation, individual muscle forces, and movement kinematics. The model was verified using experimental kinematic, torque, and electromyographic data from volunteer subjects performing ballistic elbow joint complex movements.
Plant growth modeling at the JSC variable pressure growth chamber - An application of experimental design

NASA Technical Reports Server (NTRS)

Miller, Adam M.; Edeen, Marybeth; Sirko, Robert J.

1992-01-01

This paper describes the approach and results of an effort to characterize plant growth under various environmental conditions at the Johnson Space Center variable pressure growth chamber. Using a field of applied mathematics and statistics known as design of experiments (DOE), we developed a test plan for varying environmental parameters during a lettuce growth experiment. The test plan was developed using a Box-Behnken approach to DOE. As a result of the experimental runs, we have developed empirical models of both the transpiration process and carbon dioxide assimilation for Waldman's Green lettuce over specified ranges of environmental parameters including carbon dioxide concentration, light intensity, dew-point temperature, and air velocity. This model also predicts transpiration and carbon dioxide assimilation for different ages of the plant canopy.
White-light Interferometry using a Channeled Spectrum: II. Calibration Methods, Numerical and Experimental Results

NASA Technical Reports Server (NTRS)

Zhai, Chengxing; Milman, Mark H.; Regehr, Martin W.; Best, Paul K.

2007-01-01

In the companion paper, [Appl. Opt. 46, 5853 (2007)] a highly accurate white light interference model was developed from just a few key parameters characterized in terms of various moments of the source and instrument transmission function. We develop and implement the end-to-end process of calibrating these moment parameters together with the differential dispersion of the instrument and applying them to the algorithms developed in the companion paper. The calibration procedure developed herein is based on first obtaining the standard monochromatic parameters at the pixel level: wavenumber, phase, intensity, and visibility parameters via a nonlinear least-squares procedure that exploits the structure of the model. The pixel level parameters are then combined to obtain the required 'global' moment and dispersion parameters. The process is applied to both simulated scenarios of astrometric observations and to data from the microarcsecond metrology testbed (MAM), an interferometer testbed that has played a prominent role in the development of this technology.
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.
Estimation of Infiltration Parameters and the Irrigation Coefficients with the Surface Irrigation Advance Distance

PubMed Central

Beibei, Zhou; Quanjiu, Wang; Shuai, Tan

2014-01-01

A theory based on Manning roughness equation, Philip equation and water balance equation was developed which only employed the advance distance in the calculation of the infiltration parameters and irrigation coefficients in both the border irrigation and the surge irrigation. The improved procedure was validated with both the border irrigation and surge irrigation experiments. The main results are shown as follows. Infiltration parameters of the Philip equation could be calculated accurately only using water advance distance in the irrigation process comparing to the experimental data. With the calculated parameters and the water balance equation, the irrigation coefficients were also estimated. The water advance velocity should be measured at about 0.5 m to 1.0 m far from the water advance in the experimental corn fields. PMID:25061664
Reconstruction of the spatial dependence of dielectric and geometrical properties of adhesively bonded structures

NASA Astrophysics Data System (ADS)

Mackay, C.; Hayward, D.; Mulholland, A. J.; McKee, S.; Pethrick, R. A.

2005-06-01

An inverse problem motivated by the nondestructive testing of adhesively bonded structures used in the aircraft industry is studied. Using transmission line theory, a model is developed which, when supplied with electrical and geometrical parameters, accurately predicts the reflection coefficient associated with such structures. Particular attention is paid to modelling the connection between the structures and the equipment used to measure the reflection coefficient. The inverse problem is then studied and an optimization approach employed to recover these electrical and geometrical parameters from experimentally obtained data. In particular the approach focuses on the recovery of spatially varying geometrical parameters as this is paramount to the successful reconstruction of electrical parameters. Reconstructions of structure geometry using this method are found to be in close agreement with experimental observations.
Process Development of Porcelain Ceramic Material with Binder Jetting Process for Dental Applications

NASA Astrophysics Data System (ADS)

Miyanaji, Hadi; Zhang, Shanshan; Lassell, Austin; Zandinejad, Amirali; Yang, Li

2016-03-01

Custom ceramic structures possess significant potentials in many applications such as dentistry and aerospace where extreme environments are present. Specifically, highly customized geometries with adequate performance are needed for various dental prostheses applications. This paper demonstrates the development of process and post-process parameters for a dental porcelain ceramic material using binder jetting additive manufacturing (AM). Various process parameters such as binder amount, drying power level, drying time and powder spread speed were studied experimentally for their effect on geometrical and mechanical characteristics of green parts. In addition, the effects of sintering and printing parameters on the qualities of the densified ceramic structures were also investigated experimentally. The results provide insights into the process-property relationships for the binder jetting AM process, and some of the challenges of the process that need to be further characterized for the successful adoption of the binder jetting technology in high quality ceramic fabrications are discussed.
The development of a tele-monitoring system for physiological parameters based on the B/S model.

PubMed

Shuicai, Wu; Peijie, Jiang; Chunlan, Yang; Haomin, Li; Yanping, Bai

2010-01-01

The development of a new physiological multi-parameter remote monitoring system is based on the B/S model. The system consists of a server monitoring center, Internet network and PC-based multi-parameter monitors. Using the B/S model, the clients can browse web pages via the server monitoring center and download and install ActiveX controls. The physiological multi-parameters are collected, displayed and remotely transmitted. The experimental results show that the system is stable, reliable and operates in real time. The system is suitable for use in physiological multi-parameter remote monitoring for family and community healthcare. Copyright © 2010 Elsevier Ltd. All rights reserved.

Estimating system parameters for solvent-water and plant cuticle-water using quantum chemically estimated Abraham solute parameters.

PubMed

Liang, Yuzhen; Torralba-Sanchez, Tifany L; Di Toro, Dominic M

2018-04-18

Polyparameter Linear Free Energy Relationships (pp-LFERs) using Abraham system parameters have many useful applications. However, developing the Abraham system parameters depends on the availability and quality of the Abraham solute parameters. Using Quantum Chemically estimated Abraham solute Parameters (QCAP) is shown to produce pp-LFERs that have lower root mean square errors (RMSEs) of predictions for solvent-water partition coefficients than parameters that are estimated using other presently available methods. pp-LFERs system parameters are estimated for solvent-water, plant cuticle-water systems, and for novel compounds using QCAP solute parameters and experimental partition coefficients. Refitting the system parameter improves the calculation accuracy and eliminates the bias. Refitted models for solvent-water partition coefficients using QCAP solute parameters give better results (RMSE = 0.278 to 0.506 log units for 24 systems) than those based on ABSOLV (0.326 to 0.618) and QSPR (0.294 to 0.700) solute parameters. For munition constituents and munition-like compounds not included in the calibration of the refitted model, QCAP solute parameters produce pp-LFER models with much lower RMSEs for solvent-water partition coefficients (RMSE = 0.734 and 0.664 for original and refitted model, respectively) than ABSOLV (4.46 and 5.98) and QSPR (2.838 and 2.723). Refitting plant cuticle-water pp-LFER including munition constituents using QCAP solute parameters also results in lower RMSE (RMSE = 0.386) than that using ABSOLV (0.778) and QSPR (0.512) solute parameters. Therefore, for fitting a model in situations for which experimental data exist and system parameters can be re-estimated, or for which system parameters do not exist and need to be developed, QCAP is the quantum chemical method of choice.
Final Report, DOE Early Career Award: Predictive modeling of complex physical systems: new tools for statistical inference, uncertainty quantification, and experimental design

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

Marzouk, Youssef

Predictive simulation of complex physical systems increasingly rests on the interplay of experimental observations with computational models. Key inputs, parameters, or structural aspects of models may be incomplete or unknown, and must be developed from indirect and limited observations. At the same time, quantified uncertainties are needed to qualify computational predictions in the support of design and decision-making. In this context, Bayesian statistics provides a foundation for inference from noisy and limited data, but at prohibitive computional expense. This project intends to make rigorous predictive modeling *feasible* in complex physical systems, via accelerated and scalable tools for uncertainty quantification, Bayesianmore » inference, and experimental design. Specific objectives are as follows: 1. Develop adaptive posterior approximations and dimensionality reduction approaches for Bayesian inference in high-dimensional nonlinear systems. 2. Extend accelerated Bayesian methodologies to large-scale {\\em sequential} data assimilation, fully treating nonlinear models and non-Gaussian state and parameter distributions. 3. Devise efficient surrogate-based methods for Bayesian model selection and the learning of model structure. 4. Develop scalable simulation/optimization approaches to nonlinear Bayesian experimental design, for both parameter inference and model selection. 5. Demonstrate these inferential tools on chemical kinetic models in reacting flow, constructing and refining thermochemical and electrochemical models from limited data. Demonstrate Bayesian filtering on canonical stochastic PDEs and in the dynamic estimation of inhomogeneous subsurface properties and flow fields.« less
Control and Diagnostic Model of Brushless Dc Motor

NASA Astrophysics Data System (ADS)

Abramov, Ivan V.; Nikitin, Yury R.; Abramov, Andrei I.; Sosnovich, Ella V.; Božek, Pavol

2014-09-01

A simulation model of brushless DC motor (BLDC) control and diagnostics is considered. The model has been developed using a freeware complex "Modeling in technical devices". Faults and diagnostic parameters of BLDC are analyzed. A logicallinguistic diagnostic model of BLDC has been developed on basis of fuzzy logic. The calculated rules determine dependence of technical condition on diagnostic parameters, their trends and utilized lifetime of BLDC. Experimental results of BLDC technical condition diagnostics are discussed. It is shown that in the course of BLDC degradation the motor condition change depends on diagnostic parameter values
Determination of Cole-Cole parameters using only the real part of electrical impedivity measurements.

PubMed

Miranda, David A; Rivera, S A López

2008-05-01

An algorithm is presented to determine the Cole-Cole parameters of electrical impedivity using only measurements of its real part. The algorithm is based on two multi-fold direct inversion methods for the Cole-Cole and Debye equations, respectively, and a genetic algorithm for the optimization of the mean square error between experimental and calculated data. The algorithm has been developed to obtain the Cole-Cole parameters from experimental data, which were used to screen cervical intra-epithelial neoplasia. The proposed algorithm was compared with different numerical integrations of the Kramers-Kronig relation and the result shows that this algorithm is the best. A high immunity to noise was obtained.
An approach for cooling by solar energy

NASA Astrophysics Data System (ADS)

Rabeih, S. M.; Wahhab, M. A.; Asfour, H. M.

The present investigation is concerned with the possibility to base the operation of a household refrigerator on solar energy instead of gas fuel. The currently employed heating system is to be replaced by a solar collector with an absorption area of two sq m. Attention is given to the required changes in the generator design, the solar parameters at the location of refrigerator installation, the mathematical approach for the thermal analysis of the solar collector, the development of a computer program for the evaluation of the important parameters, the experimental test rig, and the measurement of the experimental parameters. A description is given of the obtained optimum operating conditions for the considered system.
A lateral dynamics of a wheelchair: identification and analysis of tire parameters.

PubMed

Silva, L C A; Corrêa, F C; Eckert, J J; Santiciolli, F M; Dedini, F G

2017-02-01

In vehicle dynamics studies, the tire behaviour plays an important role in planar motion of the vehicle. Therefore, a correct representation of tire is a necessity. This paper describes a mathematical model for wheelchair tire based on the Magic Formula model. This model is widely used to represent forces and moments between the tire and the ground; however some experimental parameters must be determined. The purpose of this work is to identify the tire parameters for the wheelchair tire model, implementing them in a dynamic model of the wheelchair. For this, we developed an experimental test rig to measure the tires parameters for the lateral dynamics of a wheelchair. This dynamic model was made using a multi-body software and the wheelchair behaviour was analysed and discussed according to the tire parameters. The result of this work is one step further towards the understanding of wheelchair dynamics.
TRIP-ID: A tool for a smart and interactive identification of Magic Formula tyre model parameters from experimental data acquired on track or test rig

NASA Astrophysics Data System (ADS)

Farroni, Flavio; Lamberti, Raffaele; Mancinelli, Nicolò; Timpone, Francesco

2018-03-01

Tyres play a key role in ground vehicles' dynamics because they are responsible for traction, braking and cornering. A proper tyre-road interaction model is essential for a useful and reliable vehicle dynamics model. In the last two decades Pacejka's Magic Formula (MF) has become a standard in simulation field. This paper presents a Tool, called TRIP-ID (Tyre Road Interaction Parameters IDentification), developed to characterize and to identify with a high grade of accuracy and reliability MF micro-parameters from experimental data deriving from telemetry or from test rig. The tool guides interactively the user through the identification process on the basis of strong diagnostic considerations about the experimental data made evident by the tool itself. A motorsport application of the tool is shown as a case study.
Problems in Bearings and Lubrication

DTIC Science & Technology

1982-08-01

Dayton, Group Leader Lubrication Systems*** SUMMARY The objective of this analytical and experimental program is to develop t, long life bearing for...established on the basis of experimental , analytical, manufacturing, and production * experience. The parameters of the Group C bearings which were not...supplied experimental hardware which has been successfully evaluated in teats to speeds of 3.0 MDN. A total of 10 Group A parametric bearings were
Equilibrium expert: an add-in to Microsoft Excel for multiple binding equilibrium simulations and parameter estimations.

PubMed

Raguin, Olivier; Gruaz-Guyon, Anne; Barbet, Jacques

2002-11-01

An add-in to Microsoft Excel was developed to simulate multiple binding equilibriums. A partition function, readily written even when the equilibrium is complex, describes the experimental system. It involves the concentrations of the different free molecular species and of the different complexes present in the experiment. As a result, the software is not restricted to a series of predefined experimental setups but can handle a large variety of problems involving up to nine independent molecular species. Binding parameters are estimated by nonlinear least-square fitting of experimental measurements as supplied by the user. The fitting process allows user-defined weighting of the experimental data. The flexibility of the software and the way it may be used to describe common experimental situations and to deal with usual problems such as tracer reactivity or nonspecific binding is demonstrated by a few examples. The software is available free of charge upon request.
Optimisation of thulium fibre laser parameters with generation of pulses by pump modulation

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

Obronov, I V; Larin, S V; Sypin, V E

2015-07-31

The formation of relaxation pulses of a thulium fibre laser (λ = 1.9 μm) by modulating the power of a pump erbium fibre laser (λ = 1.55 μm) is studied. A theoretical model is developed to find the dependences of pulse duration and peak power on different cavity parameters. The optimal cavity parameters for achieving the minimal pulse duration are determined. The results are confirmed by experimental development of a laser emitting pulses with a duration shorter than 10 ns, a peak power of 1.8 kW and a repetition rate of 50 kHz. (control of radiation parameters)
Experimental intrauterine growth retardation.

PubMed

van Marthens, E; Harel, S; Zamenshof, S

1975-01-01

The effects of experimental intrauterine growth retardation on subsequent fetal development, especially with respect to brain development, were studied in a new animal model. The rabbit was chosen since it has a perinatal pattern of brain development similar to that of the human. Experimental ischemia was induced during the last trimester by ligation of spiral arterioles and the differential effects on fetal development at term (30th gestational day) are reported. Specific brain regions were examined for wet weight, total cell number (DNA) and total protein content. Highly significant decreases in all these parameters were found in both the cortex and cerebellum following experimental intrauterine growth retardation; these two organs were differentially affected. The prospects and advantages of using this animal model for the study of the postnatal "catch-up growth" are discussed.
Experimental investigation of the structural behavior of equine urethra.

PubMed

Natali, Arturo Nicola; Carniel, Emanuele Luigi; Frigo, Alessandro; Fontanella, Chiara Giulia; Rubini, Alessandro; Avital, Yochai; De Benedictis, Giulia Maria

2017-04-01

An integrated experimental and computational investigation was developed aiming to provide a methodology for characterizing the structural response of the urethral duct. The investigation provides information that are suitable for the actual comprehension of lower urinary tract mechanical functionality and the optimal design of prosthetic devices. Experimental activity entailed the execution of inflation tests performed on segments of horse penile urethras from both proximal and distal regions. Inflation tests were developed imposing different volumes. Each test was performed according to a two-step procedure. The tubular segment was inflated almost instantaneously during the first step, while volume was held constant for about 300s to allow the development of relaxation processes during the second step. Tests performed on the same specimen were interspersed by 600s of rest to allow the recovery of the specimen mechanical condition. Results from experimental activities were statistically analyzed and processed by means of a specific mechanical model. Such computational model was developed with the purpose of interpreting the general pressure-volume-time response of biologic tubular structures. The model includes parameters that interpret the elastic and viscous behavior of hollow structures, directly correlated with the results from the experimental activities. Post-processing of experimental data provided information about the non-linear elastic and time-dependent behavior of the urethral duct. In detail, statistically representative pressure-volume and pressure relaxation curves were identified, and summarized by structural parameters. Considering elastic properties, initial stiffness ranged between 0.677 ± 0.026kPa and 0.262 ± 0.006kPa moving from proximal to distal region of penile urethra. Viscous parameters showed typical values of soft biological tissues, as τ 1 =0.153±0.018s, τ 2 =17.458 ± 1.644s and τ 1 =0.201 ± 0.085, τ 2 = 8.514 ± 1.379s for proximal and distal regions respectively. A general procedure for the mechanical characterization of the urethral duct has been provided. The proposed methodology allows identifying mechanical parameters that properly express the mechanical behavior of the biological tube. The approach is especially suitable for evaluating the influence of degenerative phenomena on the lower urinary tract mechanical functionality. The information are mandatory for the optimal design of potential surgical procedures and devices. Copyright © 2017 Elsevier B.V. All rights reserved.
Finite Element Vibration Modeling and Experimental Validation for an Aircraft Engine Casing

NASA Astrophysics Data System (ADS)

Rabbitt, Christopher

This thesis presents a procedure for the development and validation of a theoretical vibration model, applies this procedure to a pair of aircraft engine casings, and compares select parameters from experimental testing of those casings to those from a theoretical model using the Modal Assurance Criterion (MAC) and linear regression coefficients. A novel method of determining the optimal MAC between axisymmetric results is developed and employed. It is concluded that the dynamic finite element models developed as part of this research are fully capable of modelling the modal parameters within the frequency range of interest. Confidence intervals calculated in this research for correlation coefficients provide important information regarding the reliability of predictions, and it is recommended that these intervals be calculated for all comparable coefficients. The procedure outlined for aligning mode shapes around an axis of symmetry proved useful, and the results are promising for the development of further optimization techniques.
An enhancement to the NA4 gear vibration diagnostic parameter

NASA Technical Reports Server (NTRS)

Decker, Harry J.; Handschuh, Robert F.; Zakrajsek, James J.

1994-01-01

A new vibration diagnostic parameter for health monitoring of gears, NA4*, is proposed and tested. A recently developed gear vibration diagnostic parameter NA4 outperformed other fault detection methods at indicating the start and initial progression of damage. However, in some cases, as the damage progressed, the sensitivity of the NA4 and FM4 parameters tended to decrease and no longer indicated damage. A new parameter, NA4* was developed by enhancing NA4 to improve the trending of the parameter. This allows for the indication of damage both at initiation and also as the damage progresses. The NA4* parameter was verified and compared to the NA4 and FM4 parameters using experimental data from single mesh spur and spiral bevel gear fatigue rigs. The primary failure mode for the test cases was naturally occurring tooth surface pitting. The NA4* parameter is shown to be a more robust indicator of damage.
A parameters optimization method for planar joint clearance model and its application for dynamics simulation of reciprocating compressor

NASA Astrophysics Data System (ADS)

Hai-yang, Zhao; Min-qiang, Xu; Jin-dong, Wang; Yong-bo, Li

2015-05-01

In order to improve the accuracy of dynamics response simulation for mechanism with joint clearance, a parameter optimization method for planar joint clearance contact force model was presented in this paper, and the optimized parameters were applied to the dynamics response simulation for mechanism with oversized joint clearance fault. By studying the effect of increased clearance on the parameters of joint clearance contact force model, the relation of model parameters between different clearances was concluded. Then the dynamic equation of a two-stage reciprocating compressor with four joint clearances was developed using Lagrange method, and a multi-body dynamic model built in ADAMS software was used to solve this equation. To obtain a simulated dynamic response much closer to that of experimental tests, the parameters of joint clearance model, instead of using the designed values, were optimized by genetic algorithms approach. Finally, the optimized parameters were applied to simulate the dynamics response of model with oversized joint clearance fault according to the concluded parameter relation. The dynamics response of experimental test verified the effectiveness of this application.
An automated analysis workflow for optimization of force-field parameters using neutron scattering data

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

Lynch, Vickie E.; Borreguero, Jose M.; Bhowmik, Debsindhu

Graphical abstract: - Highlights: • An automated workflow to optimize force-field parameters. • Used the workflow to optimize force-field parameter for a system containing nanodiamond and tRNA. • The mechanism relies on molecular dynamics simulation and neutron scattering experimental data. • The workflow can be generalized to any other experimental and simulation techniques. - Abstract: Large-scale simulations and data analysis are often required to explain neutron scattering experiments to establish a connection between the fundamental physics at the nanoscale and data probed by neutrons. However, to perform simulations at experimental conditions it is critical to use correct force-field (FF) parametersmore » which are unfortunately not available for most complex experimental systems. In this work, we have developed a workflow optimization technique to provide optimized FF parameters by comparing molecular dynamics (MD) to neutron scattering data. We describe the workflow in detail by using an example system consisting of tRNA and hydrophilic nanodiamonds in a deuterated water (D{sub 2}O) environment. Quasi-elastic neutron scattering (QENS) data show a faster motion of the tRNA in the presence of nanodiamond than without the ND. To compare the QENS and MD results quantitatively, a proper choice of FF parameters is necessary. We use an efficient workflow to optimize the FF parameters between the hydrophilic nanodiamond and water by comparing to the QENS data. Our results show that we can obtain accurate FF parameters by using this technique. The workflow can be generalized to other types of neutron data for FF optimization, such as vibrational spectroscopy and spin echo.« less
MIRAGE: The data acquisition, analysis, and display system

NASA Technical Reports Server (NTRS)

Rosser, Robert S.; Rahman, Hasan H.

1993-01-01

Developed for the NASA Johnson Space Center and Life Sciences Directorate by GE Government Services, the Microcomputer Integrated Real-time Acquisition Ground Equipment (MIRAGE) system is a portable ground support system for Spacelab life sciences experiments. The MIRAGE system can acquire digital or analog data. Digital data may be NRZ-formatted telemetry packets of packets from a network interface. Analog signal are digitized and stored in experimental packet format. Data packets from any acquisition source are archived to a disk as they are received. Meta-parameters are generated from the data packet parameters by applying mathematical and logical operators. Parameters are displayed in text and graphical form or output to analog devices. Experiment data packets may be retransmitted through the network interface. Data stream definition, experiment parameter format, parameter displays, and other variables are configured using spreadsheet database. A database can be developed to support virtually any data packet format. The user interface provides menu- and icon-driven program control. The MIRAGE system can be integrated with other workstations to perform a variety of functions. The generic capabilities, adaptability and ease of use make the MIRAGE a cost-effective solution to many experimental data processing requirements.
Numerical and experimental modelling of the radial compressor stage

NASA Astrophysics Data System (ADS)

Syka, Tomáš; Matas, Richard; LuÅáček, Ondřej

2016-06-01

This article deals with the description of the numerical and experimental model of the new compressor stage designed for process centrifugal compressors. It's the first member of the new stages family developed to achieve the state of the art thermodynamic parameters. This stage (named RTK01) is designed for high flow coefficient with 3D shaped impeller blades. Some interesting findings were gained during its development. The article is focused mainly on some interesting aspects of the development methodology and numerical simulations improvement, not on the specific stage properties. Conditions and experimental equipment, measured results and their comparison with ANSYS CFX and NUMECA FINE/Turbo CFD simulations are described.
Numerical Parameter Optimization of the Ignition and Growth Model for HMX Based Plastic Bonded Explosives

NASA Astrophysics Data System (ADS)

Gambino, James; Tarver, Craig; Springer, H. Keo; White, Bradley; Fried, Laurence

2017-06-01

We present a novel method for optimizing parameters of the Ignition and Growth reactive flow (I&G) model for high explosives. The I&G model can yield accurate predictions of experimental observations. However, calibrating the model is a time-consuming task especially with multiple experiments. In this study, we couple the differential evolution global optimization algorithm to simulations of shock initiation experiments in the multi-physics code ALE3D. We develop parameter sets for HMX based explosives LX-07 and LX-10. The optimization finds the I&G model parameters that globally minimize the difference between calculated and experimental shock time of arrival at embedded pressure gauges. This work was performed under the auspices of the U.S. DOE by LLNL under contract DE-AC52-07NA27344. LLNS, LLC LLNL-ABS- 724898.
Modeling and experimental investigation of thermal-mechanical-electric coupling dynamics in a standing wave ultrasonic motor

NASA Astrophysics Data System (ADS)

Li, Xiang; Yao, Zhiyuan; He, Yigang; Dai, Shichao

2017-09-01

Ultrasonic motor operation relies on high-frequency vibration of a piezoelectric vibrator and interface friction between the stator and rotor/slider, which can cause temperature rise of the motor under continuous operation, and can affect motor parameters and performance in turn. In this paper, an integral model is developed to study the thermal-mechanical-electric coupling dynamics in a typical standing wave ultrasonic motor. Stick-slip motion at the contact interface and the temperature dependence of material parameters of the stator are taken into account in this model. The elastic, piezoelectric and dielectric material coefficients of the piezoelectric ceramic, as a function of temperature, are determined experimentally using a resonance method. The critical parameters in the model are identified via measured results. The resulting model can be used to evaluate the variation in output characteristics of the motor caused by the thermal-mechanical-electric coupling effects. Furthermore, the dynamic temperature rise of the motor can be accurately predicted under different input parameters using the developed model, which will contribute to improving the reliable life of a motor for long-term running.

Optimization of VPSC Model Parameters for Two-Phase Titanium Alloys: Flow Stress Vs Orientation Distribution Function Metrics

NASA Astrophysics Data System (ADS)

Miller, V. M.; Semiatin, S. L.; Szczepanski, C.; Pilchak, A. L.

2018-06-01

The ability to predict the evolution of crystallographic texture during hot work of titanium alloys in the α + β temperature regime is greatly significant to numerous engineering disciplines; however, research efforts are complicated by the rapid changes in phase volume fractions and flow stresses with temperature in addition to topological considerations. The viscoplastic self-consistent (VPSC) polycrystal plasticity model is employed to simulate deformation in the two phase field. Newly developed parameter selection schemes utilizing automated optimization based on two different error metrics are considered. In the first optimization scheme, which is commonly used in the literature, the VPSC parameters are selected based on the quality of fit between experiment and simulated flow curves at six hot-working temperatures. Under the second newly developed scheme, parameters are selected to minimize the difference between the simulated and experimentally measured α textures after accounting for the β → α transformation upon cooling. It is demonstrated that both methods result in good qualitative matches for the experimental α phase texture, but texture-based optimization results in a substantially better quantitative orientation distribution function match.
Operational models of pharmacological agonism.

PubMed

Black, J W; Leff, P

1983-12-22

The traditional receptor-stimulus model of agonism began with a description of drug action based on the law of mass action and has developed by a series of modifications, each accounting for new experimental evidence. By contrast, in this paper an approach to modelling agonism is taken that begins with the observation that experimental agonist-concentration effect, E/[A], curves are commonly hyperbolic and develops using the deduction that the relation between occupancy and effect must be hyperbolic if the law of mass action applies at the agonist-receptor level. The result is a general model that explicitly describes agonism by three parameters: an agonist-receptor dissociation constant, KA; the total receptor concentration, [R0]; and a parameter, KE, defining the transduction of agonist-receptor complex, AR, into pharmacological effect. The ratio, [R0]/KE, described here as the 'transducer ratio', tau, is a logical definition for the efficacy of an agonist in a system. The model may be extended to account for non-hyperbolic E/[A] curves with no loss of meaning. Analysis shows that an explicit formulation of the traditional receptor-stimulus model is one particular form of the general model but that it is not the simplest. An alternative model is proposed, representing the cognitive and transducer functions of a receptor, that describes agonist action with one fewer parameter than the traditional model. In addition, this model provides a chemical definition of intrinsic efficacy making this parameter experimentally accessible in principle. The alternative models are compared and contrasted with regard to their practical and conceptual utilities in experimental pharmacology.
Modeling of transport phenomena in tokamak plasmas with neural networks

DOE PAGES

Meneghini, Orso; Luna, Christopher J.; Smith, Sterling P.; ...

2014-06-23

A new transport model that uses neural networks (NNs) to yield electron and ion heat ux pro les has been developed. Given a set of local dimensionless plasma parameters similar to the ones that the highest delity models use, the NN model is able to efficiently and accurately predict the ion and electron heat transport pro les. As a benchmark, a NN was built, trained, and tested on data from the 2012 and 2013 DIII-D experimental campaigns. It is found that NN can capture the experimental behavior over the majority of the plasma radius and across a broad range ofmore » plasma regimes. Although each radial location is calculated independently from the others, the heat ux pro les are smooth, suggesting that the solution found by the NN is a smooth function of the local input parameters. This result supports the evidence of a well-de ned, non-stochastic relationship between the input parameters and the experimentally measured transport uxes. Finally, the numerical efficiency of this method, requiring only a few CPU-μs per data point, makes it ideal for scenario development simulations and real-time plasma control.« less
Equivalent circuit model parameters of a high-power Li-ion battery: Thermal and state of charge effects

NASA Astrophysics Data System (ADS)

Gomez, Jamie; Nelson, Ruben; Kalu, Egwu E.; Weatherspoon, Mark H.; Zheng, Jim P.

2011-05-01

Equivalent circuit model (EMC) of a high-power Li-ion battery that accounts for both temperature and state of charge (SOC) effects known to influence battery performance is presented. Electrochemical impedance measurements of a commercial high power Li-ion battery obtained in the temperature range 20 to 50 °C at various SOC values was used to develop a simple EMC which was used in combination with a non-linear least squares fitting procedure that used thirteen parameters for the analysis of the Li-ion cell. The experimental results show that the solution and charge transfer resistances decreased with increase in cell operating temperature and decreasing SOC. On the other hand, the Warburg admittance increased with increasing temperature and decreasing SOC. The developed model correlations that are capable of being used in process control algorithms are presented for the observed impedance behavior with respect to temperature and SOC effects. The predicted model parameters for the impedance elements Rs, Rct and Y013 show low variance of 5% when compared to the experimental data and therefore indicates a good statistical agreement of correlation model to the actual experimental values.
Prediction and Computation of Corrosion Rates of A36 Mild Steel in Oilfield Seawater

NASA Astrophysics Data System (ADS)

Paul, Subir; Mondal, Rajdeep

2018-04-01

The parameters which primarily control the corrosion rate and life of steel structures are several and they vary across the different ocean and seawater as well as along the depth. While the effect of single parameter on corrosion behavior is known, the conjoint effects of multiple parameters and the interrelationship among the variables are complex. Millions sets of experiments are required to understand the mechanism of corrosion failure. Statistical modeling such as ANN is one solution that can reduce the number of experimentation. ANN model was developed using 170 sets of experimental data of A35 mild steel in simulated seawater, varying the corrosion influencing parameters SO4 2-, Cl-, HCO3 -,CO3 2-, CO2, O2, pH and temperature as input and the corrosion current as output. About 60% of experimental data were used to train the model, 20% for testing and 20% for validation. The model was developed by programming in Matlab. 80% of the validated data could predict the corrosion rate correctly. Corrosion rates predicted by the ANN model are displayed in 3D graphics which show many interesting phenomenon of the conjoint effects of multiple variables that might throw new ideas of mitigation of corrosion by simply modifying the chemistry of the constituents. The model could predict the corrosion rates of some real systems.
Development and Application of a Tool for Optimizing Composite Matrix Viscoplastic Material Parameters

NASA Technical Reports Server (NTRS)

Murthy, Pappu L. N.; Naghipour Ghezeljeh, Paria; Bednarcyk, Brett A.

2018-01-01

This document describes a recently developed analysis tool that enhances the resident capabilities of the Micromechanics Analysis Code with the Generalized Method of Cells (MAC/GMC) and its application. MAC/GMC is a composite material and laminate analysis software package developed at NASA Glenn Research Center. The primary focus of the current effort is to provide a graphical user interface (GUI) capability that helps users optimize highly nonlinear viscoplastic constitutive law parameters by fitting experimentally observed/measured stress-strain responses under various thermo-mechanical conditions for braided composites. The tool has been developed utilizing the MATrix LABoratory (MATLAB) (The Mathworks, Inc., Natick, MA) programming language. Illustrative examples shown are for a specific braided composite system wherein the matrix viscoplastic behavior is represented by a constitutive law described by seven parameters. The tool is general enough to fit any number of experimentally observed stress-strain responses of the material. The number of parameters to be optimized, as well as the importance given to each stress-strain response, are user choice. Three different optimization algorithms are included: (1) Optimization based on gradient method, (2) Genetic algorithm (GA) based optimization and (3) Particle Swarm Optimization (PSO). The user can mix and match the three algorithms. For example, one can start optimization with either 2 or 3 and then use the optimized solution to further fine tune with approach 1. The secondary focus of this paper is to demonstrate the application of this tool to optimize/calibrate parameters for a nonlinear viscoplastic matrix to predict stress-strain curves (for constituent and composite levels) at different rates, temperatures and/or loading conditions utilizing the Generalized Method of Cells. After preliminary validation of the tool through comparison with experimental results, a detailed virtual parametric study is presented wherein the combined effects of temperature and loading rate on the predicted response of a braided composite is investigated.
Automated optimization of water-water interaction parameters for a coarse-grained model.

PubMed

Fogarty, Joseph C; Chiu, See-Wing; Kirby, Peter; Jakobsson, Eric; Pandit, Sagar A

2014-02-13

We have developed an automated parameter optimization software framework (ParOpt) that implements the Nelder-Mead simplex algorithm and applied it to a coarse-grained polarizable water model. The model employs a tabulated, modified Morse potential with decoupled short- and long-range interactions incorporating four water molecules per interaction site. Polarizability is introduced by the addition of a harmonic angle term defined among three charged points within each bead. The target function for parameter optimization was based on the experimental density, surface tension, electric field permittivity, and diffusion coefficient. The model was validated by comparison of statistical quantities with experimental observation. We found very good performance of the optimization procedure and good agreement of the model with experiment.
TestSTORM: Simulator for optimizing sample labeling and image acquisition in localization based super-resolution microscopy

PubMed Central

Sinkó, József; Kákonyi, Róbert; Rees, Eric; Metcalf, Daniel; Knight, Alex E.; Kaminski, Clemens F.; Szabó, Gábor; Erdélyi, Miklós

2014-01-01

Localization-based super-resolution microscopy image quality depends on several factors such as dye choice and labeling strategy, microscope quality and user-defined parameters such as frame rate and number as well as the image processing algorithm. Experimental optimization of these parameters can be time-consuming and expensive so we present TestSTORM, a simulator that can be used to optimize these steps. TestSTORM users can select from among four different structures with specific patterns, dye and acquisition parameters. Example results are shown and the results of the vesicle pattern are compared with experimental data. Moreover, image stacks can be generated for further evaluation using localization algorithms, offering a tool for further software developments. PMID:24688813
Experimental investigation of two-phase heat transfer in a porous matrix.

NASA Technical Reports Server (NTRS)

Von Reth, R.; Frost, W.

1972-01-01

One-dimensional two-phase flow transpiration cooling through porous metal is studied experimentally. The experimental data is compared with a previous one-dimensional analysis. Good agreement with calculated temperature distribution is obtained as long as the basic assumptions of the analytical model are satisfied. Deviations from the basic assumptions are caused by nonhomogeneous and oscillating flow conditions. Preliminary derivation of nondimensional parameters which characterize the stable and unstable flow conditions is given. Superheated liquid droplets observed sputtering from the heated surface indicated incomplete evaporation at heat fluxes well in access of the latent energy transport. A parameter is developed to account for the nonequilibrium thermodynamic effects. Measured and calculated pressure drops show contradicting trends which are attributed to capillary forces.
Equivalent parameter model of 1-3 piezocomposite with a sandwich polymer

NASA Astrophysics Data System (ADS)

Zhang, Yanjun; Wang, Likun; Qin, Lei

2018-06-01

A theoretical model was developed to investigate the performance of 1-3 piezoelectric composites with a sandwich polymer. Effective parameters, such as the electromechanical coupling factor, longitudinal velocity, and characteristic acoustic impedance of the piezocomposite, were predicted using the developed model. The influences of volume fractions and components of the polymer phase on the effective parameters of the piezoelectric composite were studied. The theoretical model was verified experimentally. The proposed model can reproduce the effective parameters of 1-3 piezoelectric composites with a sandwich polymer in the thickness mode. The measured electromechanical coupling factor was improved by more than 9.8% over the PZT/resin 1-3 piezoelectric composite.
An Experimental Investigation into the Optimal Processing Conditions for the CO2 Laser Cladding of 20 MnCr5 Steel Using Taguchi Method and ANN

NASA Astrophysics Data System (ADS)

Mondal, Subrata; Bandyopadhyay, Asish.; Pal, Pradip Kumar

2010-10-01

This paper presents the prediction and evaluation of laser clad profile formed by means of CO2 laser applying Taguchi method and the artificial neural network (ANN). Laser cladding is one of the surface modifying technologies in which the desired surface characteristics of any component can be achieved such as good corrosion resistance, wear resistance and hardness etc. Laser is used as a heat source to melt the anti-corrosive powder of Inconel-625 (Super Alloy) to give a coating on 20 MnCr5 substrate. The parametric study of this technique is also attempted here. The data obtained from experiments have been used to develop the linear regression equation and then to develop the neural network model. Moreover, the data obtained from regression equations have also been used as supporting data to train the neural network. The artificial neural network (ANN) is used to establish the relationship between the input/output parameters of the process. The established ANN model is then indirectly integrated with the optimization technique. It has been seen that the developed neural network model shows a good degree of approximation with experimental data. In order to obtain the combination of process parameters such as laser power, scan speed and powder feed rate for which the output parameters become optimum, the experimental data have been used to develop the response surfaces.
Resuspension and redistribution of radionuclides during grassland and forest fires in the Chernobyl exclusion zone: part II. Modeling the transport process.

PubMed

Yoschenko, V I; Kashparov, V A; Levchuk, S E; Glukhovskiy, A S; Khomutinin, Yu V; Protsak, V P; Lundin, S M; Tschiersch, J

2006-01-01

To predict parameters of radionuclide resuspension, transport and deposition during forest and grassland fires, several model modules were developed and adapted. Experimental data of controlled burning of prepared experimental plots in the Chernobyl exclusion zone have been used to evaluate the prognostic power of the models. The predicted trajectories and elevations of the plume match with those visually observed during the fire experiments in the grassland and forest sites. Experimentally determined parameters could be successfully used for the calculation of the initial plume parameters which provide the tools for the description of various fire scenarios and enable prognostic calculations. In summary, the model predicts a release of some per thousand from the radionuclide inventory of the fuel material by the grassland fires. During the forest fire, up to 4% of (137)Cs and (90)Sr and up to 1% of the Pu isotopes can be released from the forest litter according to the model calculations. However, these results depend on the parameters of the fire events. In general, the modeling results are in good accordance with the experimental data. Therefore, the considered models were successfully validated and can be recommended for the assessment of the resuspension and redistribution of radionuclides during grassland and forest fires in contaminated territories.
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.
Three-Dimensional Simulation of Traveling-Wave Tube Cold-Test Characteristics Using CST MICROWAVE STUDIO

NASA Technical Reports Server (NTRS)

Chevalier, Christine T.; Herrmann, Kimberly A.; Kory, Carol L.; Wilson, Jeffrey D.; Cross, Andrew W.; Santana , Samuel

2003-01-01

The electromagnetic field simulation software package CST MICROWAVE STUDIO (MWS) was used to compute the cold-test parameters - frequency-phase dispersion, on-axis impedance, and attenuation - for a traveling-wave tube (TWT) slow-wave circuit. The results were compared to experimental data, as well as to results from MAFIA, another three-dimensional simulation code from CST currently used at the NASA Glenn Research Center (GRC). The strong agreement between cold-test parameters simulated with MWS and those measured experimentally demonstrates the potential of this code to reduce the time and cost of TWT development.
Inferential Framework for Autonomous Cryogenic Loading Operations

NASA Technical Reports Server (NTRS)

Luchinsky, Dmitry G.; Khasin, Michael; Timucin, Dogan; Sass, Jared; Perotti, Jose; Brown, Barbara

2017-01-01

We address problem of autonomous cryogenic management of loading operations on the ground and in space. As a step towards solution of this problem we develop a probabilistic framework for inferring correlations parameters of two-fluid cryogenic flow. The simulation of two-phase cryogenic flow is performed using nearly-implicit scheme. A concise set of cryogenic correlations is introduced. The proposed approach is applied to an analysis of the cryogenic flow in experimental Propellant Loading System built at NASA KSC. An efficient simultaneous optimization of a large number of model parameters is demonstrated and a good agreement with the experimental data is obtained.
On Multi-Objective Based Constitutive Modelling Methodology and Numerical Validation in Small-Hole Drilling of Al6063/SiCp Composites

PubMed Central

Xiang, Junfeng; Xie, Lijing; Gao, Feinong; Zhang, Yu; Yi, Jie; Wang, Tao; Pang, Siqin; Wang, Xibin

2018-01-01

Discrepancies in capturing material behavior of some materials, such as Particulate Reinforced Metal Matrix Composites, by using conventional ad hoc strategy make the applicability of Johnson-Cook constitutive model challenged. Despites applicable efforts, its extended formalism with more fitting parameters would increase the difficulty in identifying constitutive parameters. A weighted multi-objective strategy for identifying any constitutive formalism is developed to predict mechanical behavior in static and dynamic loading conditions equally well. These varying weighting is based on the Gaussian-distributed noise evaluation of experimentally obtained stress-strain data in quasi-static or dynamic mode. This universal method can be used to determine fast and directly whether the constitutive formalism is suitable to describe the material constitutive behavior by measuring goodness-of-fit. A quantitative comparison of different fitting strategies on identifying Al6063/SiCp’s material parameters is made in terms of performance evaluation including noise elimination, correlation, and reliability. Eventually, a three-dimensional (3D) FE model in small-hole drilling of Al6063/SiCp composites, using multi-objective identified constitutive formalism, is developed. Comparison with the experimental observations in thrust force, torque, and chip morphology provides valid evidence on the applicability of the developed multi-objective identification strategy in identifying constitutive parameters. PMID:29324688
Parameterized Algorithmics for Finding Exact Solutions of NP-Hard Biological Problems.

PubMed

Hüffner, Falk; Komusiewicz, Christian; Niedermeier, Rolf; Wernicke, Sebastian

2017-01-01

Fixed-parameter algorithms are designed to efficiently find optimal solutions to some computationally hard (NP-hard) problems by identifying and exploiting "small" problem-specific parameters. We survey practical techniques to develop such algorithms. Each technique is introduced and supported by case studies of applications to biological problems, with additional pointers to experimental results.
Experimental identification of closely spaced modes using NExT-ERA

NASA Astrophysics Data System (ADS)

Hosseini Kordkheili, S. A.; Momeni Massouleh, S. H.; Hajirezayi, S.; Bahai, H.

2018-01-01

This article presents a study on the capability of the time domain OMA method, NExT-ERA, to identify closely spaced structural dynamic modes. A survey in the literature reveals that few experimental studies have been conducted on the effectiveness of the NExT-ERA methodology in case of closely spaced modes specifically. In this paper we present the formulation for NExT-ERA. This formulation is then implemented in an algorithm and a code, developed in house to identify the modal parameters of different systems using their generated time history data. Some numerical models are firstly investigated to validate the code. Two different case studies involving a plate with closely spaced modes and a pulley ring with greater extent of closeness in repeated modes are presented. Both structures are excited by random impulses under the laboratory condition. The resulting time response acceleration data are then used as input in the developed code to extract modal parameters of the structures. The accuracy of the results is checked against those obtained from experimental tests.
Analyzing and Modelling the Corrosion Behavior of Ni/Al2O3, Ni/SiC, Ni/ZrO2 and Ni/Graphene Nanocomposite Coatings

PubMed Central

Saeed, Adil; Braun, Wolfgang; Bajwa, Rizwan; Rafique, Saqib

2017-01-01

A study has been presented on the effects of intrinsic mechanical parameters, such as surface stress, surface elastic modulus, surface porosity, permeability and grain size on the corrosion failure of nanocomposite coatings. A set of mechano-electrochemical equations was developed by combining the popular Butler–Volmer and Duhem expressions to analyze the direct influence of mechanical parameters on the electrochemical reactions in nanocomposite coatings. Nanocomposite coatings of Ni with Al2O3, SiC, ZrO2 and Graphene nanoparticles were studied as examples. The predictions showed that the corrosion rate of the nanocoatings increased with increasing grain size due to increase in surface stress, surface porosity and permeability of nanocoatings. A detailed experimental study was performed in which the nanocomposite coatings were subjected to an accelerated corrosion testing. The experimental results helped to develop and validate the equations by qualitative comparison between the experimental and predicted results showing good agreement between the two. PMID:29068395
Experimental Neutrino Physics: Final Report

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

Lane, Charles E.; Maricic, Jelena

2012-09-05

Experimental studies of neutrino properties, with particular emphasis on neutrino oscillation, mass and mixing parameters. This research was pursued by means of underground detectors for reactor anti-neutrinos, measuring the flux and energy spectra of the neutrinos. More recent investigations have been aimed and developing detector technologies for a long-baseline neutrino experiment (LBNE) using a neutrino beam from Fermilab.

Modal Damping Ratio and Optimal Elastic Moduli of Human Body Segments for Anthropometric Vibratory Model of Standing Subjects.

PubMed

Gupta, Manoj; Gupta, T C

2017-10-01

The present study aims to accurately estimate inertial, physical, and dynamic parameters of human body vibratory model consistent with physical structure of the human body that also replicates its dynamic response. A 13 degree-of-freedom (DOF) lumped parameter model for standing person subjected to support excitation is established. Model parameters are determined from anthropometric measurements, uniform mass density, elastic modulus of individual body segments, and modal damping ratios. Elastic moduli of ellipsoidal body segments are initially estimated by comparing stiffness of spring elements, calculated from a detailed scheme, and values available in literature for same. These values are further optimized by minimizing difference between theoretically calculated platform-to-head transmissibility ratio (TR) and experimental measurements. Modal damping ratios are estimated from experimental transmissibility response using two dominant peaks in the frequency range of 0-25 Hz. From comparison between dynamic response determined form modal analysis and experimental results, a set of elastic moduli for different segments of human body and a novel scheme to determine modal damping ratios from TR plots, are established. Acceptable match between transmissibility values calculated from the vibratory model and experimental measurements for 50th percentile U.S. male, except at very low frequencies, establishes the human body model developed. Also, reasonable agreement obtained between theoretical response curve and experimental response envelop for average Indian male, affirms the technique used for constructing vibratory model of a standing person. Present work attempts to develop effective technique for constructing subject specific damped vibratory model based on its physical measurements.
Experimental Design for Stochastic Models of Nonlinear Signaling Pathways Using an Interval-Wise Linear Noise Approximation and State Estimation.

PubMed

Zimmer, Christoph

2016-01-01

Computational modeling is a key technique for analyzing models in systems biology. There are well established methods for the estimation of the kinetic parameters in models of ordinary differential equations (ODE). Experimental design techniques aim at devising experiments that maximize the information encoded in the data. For ODE models there are well established approaches for experimental design and even software tools. However, data from single cell experiments on signaling pathways in systems biology often shows intrinsic stochastic effects prompting the development of specialized methods. While simulation methods have been developed for decades and parameter estimation has been targeted for the last years, only very few articles focus on experimental design for stochastic models. The Fisher information matrix is the central measure for experimental design as it evaluates the information an experiment provides for parameter estimation. This article suggest an approach to calculate a Fisher information matrix for models containing intrinsic stochasticity and high nonlinearity. The approach makes use of a recently suggested multiple shooting for stochastic systems (MSS) objective function. The Fisher information matrix is calculated by evaluating pseudo data with the MSS technique. The performance of the approach is evaluated with simulation studies on an Immigration-Death, a Lotka-Volterra, and a Calcium oscillation model. The Calcium oscillation model is a particularly appropriate case study as it contains the challenges inherent to signaling pathways: high nonlinearity, intrinsic stochasticity, a qualitatively different behavior from an ODE solution, and partial observability. The computational speed of the MSS approach for the Fisher information matrix allows for an application in realistic size models.
PyDREAM: high-dimensional parameter inference for biological models in python.

PubMed

Shockley, Erin M; Vrugt, Jasper A; Lopez, Carlos F; Valencia, Alfonso

2018-02-15

Biological models contain many parameters whose values are difficult to measure directly via experimentation and therefore require calibration against experimental data. Markov chain Monte Carlo (MCMC) methods are suitable to estimate multivariate posterior model parameter distributions, but these methods may exhibit slow or premature convergence in high-dimensional search spaces. Here, we present PyDREAM, a Python implementation of the (Multiple-Try) Differential Evolution Adaptive Metropolis [DREAM(ZS)] algorithm developed by Vrugt and ter Braak (2008) and Laloy and Vrugt (2012). PyDREAM achieves excellent performance for complex, parameter-rich models and takes full advantage of distributed computing resources, facilitating parameter inference and uncertainty estimation of CPU-intensive biological models. PyDREAM is freely available under the GNU GPLv3 license from the Lopez lab GitHub repository at http://github.com/LoLab-VU/PyDREAM. c.lopez@vanderbilt.edu. Supplementary data are available at Bioinformatics online. © The Author(s) 2017. Published by Oxford University Press.
Modeling of weak blast wave propagation in the lung.

PubMed

D'yachenko, A I; Manyuhina, O V

2006-01-01

Blast injuries of the lung are the most life-threatening after an explosion. The choice of physical parameters responsible for trauma is important to understand its mechanism. We developed a one-dimensional linear model of an elastic wave propagation in foam-like pulmonary parenchyma to identify the possible cause of edema due to the impact load. The model demonstrates different injury localizations for free and rigid boundary conditions. The following parameters were considered: strain, velocity, pressure in the medium and stresses in structural elements, energy dissipation, parameter of viscous criterion. Maximum underpressure is the most suitable wave parameter to be the criterion for edema formation in a rabbit lung. We supposed that observed scattering of experimental data on edema severity is induced by the physiological variety of rabbit lungs. The criterion and the model explain this scattering. The model outlines the demands for experimental data to make an unambiguous choice of physical parameters responsible for lung trauma due to impact load.
TrackEtching - A Java based code for etched track profile calculations in SSNTDs

NASA Astrophysics Data System (ADS)

Muraleedhara Varier, K.; Sankar, V.; Gangadathan, M. P.

2017-09-01

A java code incorporating a user friendly GUI has been developed to calculate the parameters of chemically etched track profiles of ion-irradiated solid state nuclear track detectors. Huygen's construction of wavefronts based on secondary wavelets has been used to numerically calculate the etched track profile as a function of the etching time. Provision for normal incidence and oblique incidence on the detector surface has been incorporated. Results in typical cases are presented and compared with experimental data. Different expressions for the variation of track etch rate as a function of the ion energy have been utilized. The best set of values of the parameters in the expressions can be obtained by comparing with available experimental data. Critical angle for track development can also be calculated using the present code.
Inverse analysis of water profile in starch by non-contact photopyroelectric method

NASA Astrophysics Data System (ADS)

Frandas, A.; Duvaut, T.; Paris, D.

2000-07-01

The photopyroelectric (PPE) method in a non-contact configuration was proposed to study water migration in starch sheets used for biodegradable packaging. A 1-D theoretical model was developed, allowing the study of samples having a water profile characterized by an arbitrary continuous function. An experimental setup was designed or this purpose which included the choice of excitation source, detection of signals, signal and data processing, and cells for conditioning the samples. We report here the development of an inversion procedure allowing for the determination of the parameters that influence the PPE signal. This procedure led to the optimization of experimental conditions in order to identify the parameters related to the water profile in the sample, and to monitor the dynamics of the process.
Bioremediation of chlorpyrifos contaminated soil by two phase bioslurry reactor: Processes evaluation and optimization by Taguchi's design of experimental (DOE) methodology.

PubMed

Pant, Apourv; Rai, J P N

2018-04-15

Two phase bioreactor was constructed, designed and developed to evaluate the chlorpyrifos remediation. Six biotic and abiotic factors (substrate-loading rate, slurry phase pH, slurry phase dissolved oxygen (DO), soil water ratio, temperature and soil micro flora load) were evaluated by design of experimental (DOE) methodology employing Taguchi's orthogonal array (OA). The selected six factors were considered at two levels L-8 array (2^7, 15 experiments) in the experimental design. The optimum operating conditions obtained from the methodology showed enhanced chlorpyrifos degradation from 283.86µg/g to 955.364µg/g by overall 70.34% of enhancement. In the present study, with the help of few well defined experimental parameters a mathematical model was constructed to understand the complex bioremediation process and optimize the approximate parameters upto great accuracy. Copyright © 2017 Elsevier Inc. All rights reserved.
Seven-parameter statistical model for BRDF in the UV band.

PubMed

Bai, Lu; Wu, Zhensen; Zou, Xiren; Cao, Yunhua

2012-05-21

A new semi-empirical seven-parameter BRDF model is developed in the UV band using experimentally measured data. The model is based on the five-parameter model of Wu and the fourteen-parameter model of Renhorn and Boreman. Surface scatter, bulk scatter and retro-reflection scatter are considered. An optimizing modeling method, the artificial immune network genetic algorithm, is used to fit the BRDF measurement data over a wide range of incident angles. The calculation time and accuracy of the five- and seven-parameter models are compared. After fixing the seven parameters, the model can well describe scattering data in the UV band.
Study on the Optimization and Process Modeling of the Rotary Ultrasonic Machining of Zerodur Glass-Ceramic

NASA Astrophysics Data System (ADS)

Pitts, James Daniel

Rotary ultrasonic machining (RUM), a hybrid process combining ultrasonic machining and diamond grinding, was created to increase material removal rates for the fabrication of hard and brittle workpieces. The objective of this research was to experimentally derive empirical equations for the prediction of multiple machined surface roughness parameters for helically pocketed rotary ultrasonic machined Zerodur glass-ceramic workpieces by means of a systematic statistical experimental approach. A Taguchi parametric screening design of experiments was employed to systematically determine the RUM process parameters with the largest effect on mean surface roughness. Next empirically determined equations for the seven common surface quality metrics were developed via Box-Behnken surface response experimental trials. Validation trials were conducted resulting in predicted and experimental surface roughness in varying levels of agreement. The reductions in cutting force and tool wear associated with RUM, reported by previous researchers, was experimentally verified to also extended to helical pocketing of Zerodur glass-ceramic.
Fiber reinforcement of concrete

DOT National Transportation Integrated Search

2004-02-01

A comprehensive experimental program on pullout behavior of polypropylene fibers from cementitious matrices is described. The parameters investigated include the effect of embedded length on the pullout characteristics, the development of the interfa...
Characterization of performance-emission indices of a diesel engine using ANFIS operating in dual-fuel mode with LPG

NASA Astrophysics Data System (ADS)

Chakraborty, Amitav; Roy, Sumit; Banerjee, Rahul

2018-03-01

This experimental work highlights the inherent capability of an adaptive-neuro fuzzy inference system (ANFIS) based model to act as a robust system identification tool (SIT) in prognosticating the performance and emission parameters of an existing diesel engine running of diesel-LPG dual fuel mode. The developed model proved its adeptness by successfully harnessing the effects of the input parameters of load, injection duration and LPG energy share on output parameters of BSFCEQ, BTE, NOX, SOOT, CO and HC. Successive evaluation of the ANFIS model, revealed high levels of resemblance with the already forecasted ANN results for the same input parameters and it was evident that similar to ANN, ANFIS also has the innate ability to act as a robust SIT. The ANFIS predicted data harmonized the experimental data with high overall accuracy. The correlation coefficient (R) values are stretched in between 0.99207 to 0.999988. The mean absolute percentage error (MAPE) tallies were recorded in the range of 0.02-0.173% with the root mean square errors (RMSE) in acceptable margins. Hence the developed model is capable of emulating the actual engine parameters with commendable ranges of accuracy, which in turn would act as a robust prediction platform in the future domains of optimization.
Dynamic modelling and parameter estimation of a hydraulic robot manipulator using a multi-objective genetic algorithm

NASA Astrophysics Data System (ADS)

Montazeri, A.; West, C.; Monk, S. D.; Taylor, C. J.

2017-04-01

This paper concerns the problem of dynamic modelling and parameter estimation for a seven degree of freedom hydraulic manipulator. The laboratory example is a dual-manipulator mobile robotic platform used for research into nuclear decommissioning. In contrast to earlier control model-orientated research using the same machine, the paper develops a nonlinear, mechanistic simulation model that can subsequently be used to investigate physically meaningful disturbances. The second contribution is to optimise the parameters of the new model, i.e. to determine reliable estimates of the physical parameters of a complex robotic arm which are not known in advance. To address the nonlinear and non-convex nature of the problem, the research relies on the multi-objectivisation of an output error single-performance index. The developed algorithm utilises a multi-objective genetic algorithm (GA) in order to find a proper solution. The performance of the model and the GA is evaluated using both simulated (i.e. with a known set of 'true' parameters) and experimental data. Both simulation and experimental results show that multi-objectivisation has improved convergence of the estimated parameters compared to the single-objective output error problem formulation. This is achieved by integrating the validation phase inside the algorithm implicitly and exploiting the inherent structure of the multi-objective GA for this specific system identification problem.
An integrated inverse model-experimental approach to determine soft tissue three-dimensional constitutive parameters: application to post-infarcted myocardium.

PubMed

Avazmohammadi, Reza; Li, David S; Leahy, Thomas; Shih, Elizabeth; Soares, João S; Gorman, Joseph H; Gorman, Robert C; Sacks, Michael S

2018-02-01

Knowledge of the complete three-dimensional (3D) mechanical behavior of soft tissues is essential in understanding their pathophysiology and in developing novel therapies. Despite significant progress made in experimentation and modeling, a complete approach for the full characterization of soft tissue 3D behavior remains elusive. A major challenge is the complex architecture of soft tissues, such as myocardium, which endows them with strongly anisotropic and heterogeneous mechanical properties. Available experimental approaches for quantifying the 3D mechanical behavior of myocardium are limited to preselected planar biaxial and 3D cuboidal shear tests. These approaches fall short in pursuing a model-driven approach that operates over the full kinematic space. To address these limitations, we took the following approach. First, based on a kinematical analysis and using a given strain energy density function (SEDF), we obtained an optimal set of displacement paths based on the full 3D deformation gradient tensor. We then applied this optimal set to obtain novel experimental data from a 1-cm cube of post-infarcted left ventricular myocardium. Next, we developed an inverse finite element (FE) simulation of the experimental configuration embedded in a parameter optimization scheme for estimation of the SEDF parameters. Notable features of this approach include: (i) enhanced determinability and predictive capability of the estimated parameters following an optimal design of experiments, (ii) accurate simulation of the experimental setup and transmural variation of local fiber directions in the FE environment, and (iii) application of all displacement paths to a single specimen to minimize testing time so that tissue viability could be maintained. Our results indicated that, in contrast to the common approach of conducting preselected tests and choosing an SEDF a posteriori, the optimal design of experiments, integrated with a chosen SEDF and full 3D kinematics, leads to a more robust characterization of the mechanical behavior of myocardium and higher predictive capabilities of the SEDF. The methodology proposed and demonstrated herein will ultimately provide a means to reliably predict tissue-level behaviors, thus facilitating organ-level simulations for efficient diagnosis and evaluation of potential treatments. While applied to myocardium, such developments are also applicable to characterization of other types of soft tissues.
Simulation, Model Verification and Controls Development of Brayton Cycle PM Alternator: Testing and Simulation of 2 KW PM Generator with Diode Bridge Output

NASA Technical Reports Server (NTRS)

Stankovic, Ana V.

2003-01-01

Professor Stankovic will be developing and refining Simulink based models of the PM alternator and comparing the simulation results with experimental measurements taken from the unit. Her first task is to validate the models using the experimental data. Her next task is to develop alternative control techniques for the application of the Brayton Cycle PM Alternator in a nuclear electric propulsion vehicle. The control techniques will be first simulated using the validated models then tried experimentally with hardware available at NASA. Testing and simulation of a 2KW PM synchronous generator with diode bridge output is described. The parameters of a synchronous PM generator have been measured and used in simulation. Test procedures have been developed to verify the PM generator model with diode bridge output. Experimental and simulation results are in excellent agreement.
Development and characterization of camphor sulphonic acid doped polyaniline film with broadband negative dielectric constant for microwave applications

NASA Astrophysics Data System (ADS)

Sreekala, P. S.; Honey, John; Aanandan, C. K.

2018-05-01

In this communication, the broadband artificial dielectric plasma behavior of Camphor Sulphonic acid doped Polyaniline (PANI-CSA) film at microwave frequencies is experimentally verified. The fabricated PANI-CSA films have been experimentally characterized by rectangular wave guide measurements for a broad range of frequencies within the X band and the effective material parameters, skin depth and conductivity have been extracted from the scattering parameters. Since most of the artificial materials available today are set up by consolidating two structured materials which independently demonstrates negative permittivity and negative permeability, this open another strategy for creation of compact single negative materials for microwave applications. The proposed doping can shift the double positive material parameter of the sample to single negative in nature.
Three-dimensional FEM model of FBGs in PANDA fibers with experimentally determined model parameters

NASA Astrophysics Data System (ADS)

Lindner, Markus; Hopf, Barbara; Koch, Alexander W.; Roths, Johannes

2017-04-01

A 3D-FEM model has been developed to improve the understanding of multi-parameter sensing with Bragg gratings in attached or embedded polarization maintaining fibers. The material properties of the fiber, especially Young's modulus and Poisson's ratio of the fiber's stress applying parts, are crucial for accurate simulations, but are usually not provided by the manufacturers. A methodology is presented to determine the unknown parameters by using experimental characterizations of the fiber and iterative FEM simulations. The resulting 3D-Model is capable of describing the change in birefringence of the free fiber when exposed to longitudinal strain. In future studies the 3D-FEM model will be employed to study the interaction of PANDA fibers with the surrounding materials in which they are embedded.
Optimising sulfuric acid hard coat anodising for an Al-Mg-Si wrought aluminium alloy

NASA Astrophysics Data System (ADS)

Bartolo, N.; Sinagra, E.; Mallia, B.

2014-06-01

This research evaluates the effects of sulfuric acid hard coat anodising parameters, such as acid concentration, electrolyte temperature, current density and time, on the hardness and thickness of the resultant anodised layers. A small scale anodising facility was designed and set up to enable experimental investigation of the anodising parameters. An experimental design using the Taguchi method to optimise the parameters within an established operating window was performed. Qualitative and quantitative methods of characterisation of the resultant anodised layers were carried out. The anodised layer's thickness, and morphology were determined using a light optical microscope (LOM) and field emission gun scanning electron microscope (FEG-SEM). Hardness measurements were carried out using a nano hardness tester. Correlations between the various anodising parameters and their effect on the hardness and thickness of the anodised layers were established. Careful evaluation of these effects enabled optimum parameters to be determined using the Taguchi method, which were verified experimentally. Anodised layers having hardness varying between 2.4-5.2 GPa and a thickness of between 20-80 μm were produced. The Taguchi method was shown to be applicable to anodising. This finding could facilitate on-going and future research and development of anodising, which is attracting remarkable academic and industrial interest.
Fitted hyperelastic parameters for Human brain tissue from reported tension, compression, and shear tests.

PubMed

Moran, Richard; Smith, Joshua H; García, José J

2014-11-28

The mechanical properties of human brain tissue are the subject of interest because of their use in understanding brain trauma and in developing therapeutic treatments and procedures. To represent the behavior of the tissue, we have developed hyperelastic mechanical models whose parameters are fitted in accordance with experimental test results. However, most studies available in the literature have fitted parameters with data of a single type of loading, such as tension, compression, or shear. Recently, Jin et al. (Journal of Biomechanics 46:2795-2801, 2013) reported data from ex vivo tests of human brain tissue under tension, compression, and shear loading using four strain rates and four different brain regions. However, they do not report parameters of energy functions that can be readily used in finite element simulations. To represent the tissue behavior for the quasi-static loading conditions, we aimed to determine the best fit of the hyperelastic parameters of the hyperfoam, Ogden, and polynomial strain energy functions available in ABAQUS for the low strain rate data, while simultaneously considering all three loading modes. We used an optimization process conducted in MATLAB, calling iteratively three finite element models developed in ABAQUS that represent the three loadings. Results showed a relatively good fit to experimental data in all loading modes using two terms in the energy functions. Values for the shear modulus obtained in this analysis (897-1653Pa) are in the range of those presented in other studies. These energy-function parameters can be used in brain tissue simulations using finite element models. Copyright © 2014 Elsevier Ltd. All rights reserved.
Experimental and simulation studies of multivariable adaptive optimization of continuous bioreactors using bilevel forgetting factors.

PubMed

Chang, Y K; Lim, H C

1989-08-20

A multivariable on-line adaptive optimization algorithm using a bilevel forgetting factor method was developed and applied to a continuous baker's yeast culture in simulation and experimental studies to maximize the cellular productivity by manipulating the dilution rate and the temperature. The algorithm showed a good optimization speed and a good adaptability and reoptimization capability. The algorithm was able to stably maintain the process around the optimum point for an extended period of time. Two cases were investigated: an unconstrained and a constrained optimization. In the constrained optimization the ethanol concentration was used as an index for the baking quality of yeast cells. An equality constraint with a quadratic penalty was imposed on the ethanol concentration to keep its level close to a hypothetical "optimum" value. The developed algorithm was experimentally applied to a baker's yeast culture to demonstrate its validity. Only unconstrained optimization was carried out experimentally. A set of tuning parameter values was suggested after evaluating the results from several experimental runs. With those tuning parameter values the optimization took 50-90 h. At the attained steady state the dilution rate was 0.310 h(-1) the temperature 32.8 degrees C, and the cellular productivity 1.50 g/L/h.
Design of high productivity antibody capture by protein A chromatography using an integrated experimental and modeling approach.

PubMed

Ng, Candy K S; Osuna-Sanchez, Hector; Valéry, Eric; Sørensen, Eva; Bracewell, Daniel G

2012-06-15

An integrated experimental and modeling approach for the design of high productivity protein A chromatography is presented to maximize productivity in bioproduct manufacture. The approach consists of four steps: (1) small-scale experimentation, (2) model parameter estimation, (3) productivity optimization and (4) model validation with process verification. The integrated use of process experimentation and modeling enables fewer experiments to be performed, and thus minimizes the time and materials required in order to gain process understanding, which is of key importance during process development. The application of the approach is demonstrated for the capture of antibody by a novel silica-based high performance protein A adsorbent named AbSolute. In the example, a series of pulse injections and breakthrough experiments were performed to develop a lumped parameter model, which was then used to find the best design that optimizes the productivity of a batch protein A chromatographic process for human IgG capture. An optimum productivity of 2.9 kg L⁻¹ day⁻¹ for a column of 5mm diameter and 8.5 cm length was predicted, and subsequently verified experimentally, completing the whole process design approach in only 75 person-hours (or approximately 2 weeks). Copyright © 2012 Elsevier B.V. All rights reserved.

Do bacterial cell numbers follow a theoretical Poisson distribution? Comparison of experimentally obtained numbers of single cells with random number generation via computer simulation.

PubMed

Koyama, Kento; Hokunan, Hidekazu; Hasegawa, Mayumi; Kawamura, Shuso; Koseki, Shigenobu

2016-12-01

We investigated a bacterial sample preparation procedure for single-cell studies. In the present study, we examined whether single bacterial cells obtained via 10-fold dilution followed a theoretical Poisson distribution. Four serotypes of Salmonella enterica, three serotypes of enterohaemorrhagic Escherichia coli and one serotype of Listeria monocytogenes were used as sample bacteria. An inoculum of each serotype was prepared via a 10-fold dilution series to obtain bacterial cell counts with mean values of one or two. To determine whether the experimentally obtained bacterial cell counts follow a theoretical Poisson distribution, a likelihood ratio test between the experimentally obtained cell counts and Poisson distribution which parameter estimated by maximum likelihood estimation (MLE) was conducted. The bacterial cell counts of each serotype sufficiently followed a Poisson distribution. Furthermore, to examine the validity of the parameters of Poisson distribution from experimentally obtained bacterial cell counts, we compared these with the parameters of a Poisson distribution that were estimated using random number generation via computer simulation. The Poisson distribution parameters experimentally obtained from bacterial cell counts were within the range of the parameters estimated using a computer simulation. These results demonstrate that the bacterial cell counts of each serotype obtained via 10-fold dilution followed a Poisson distribution. The fact that the frequency of bacterial cell counts follows a Poisson distribution at low number would be applied to some single-cell studies with a few bacterial cells. In particular, the procedure presented in this study enables us to develop an inactivation model at the single-cell level that can estimate the variability of survival bacterial numbers during the bacterial death process. Copyright © 2016 Elsevier Ltd. All rights reserved.
LASERS: Ultimate energy parameters of the radiation emitted from neodymium-glass laser systems

NASA Astrophysics Data System (ADS)

Eshmemet'eva, E. V.; Korolev, V. I.; Mesnyankin, E. P.; Serebryakov, V. A.; Shashkin, V. V.; Yashin, V. E.

1992-09-01

An experimental investigation was made of the energy conversion efficiency and of the effects of stimulated Brillouin scattering and of optical breakdown, limiting the maximum energy density obtained from several phosphate and silicate neodymium glasses when the duration of the output pulses was 50-150 ns. The experimental results were used to develop a numerical model for calculation of the gain allowing for these processes. A design was developed for an amplifier with ultimate radiation characteristics.
Effect of Static Strains on Diffusion

NASA Technical Reports Server (NTRS)

Girifalco, L. A.; Grimes, H. H.

1961-01-01

A theory is developed that gives the diffusion coefficient in strained systems as an exponential function of the strain. This theory starts with the statistical theory of the atomic jump frequency as developed by Vineyard. The parameter determining the effect of strain on diffusion is related to the changes in the inter-atomic forces with strain. Comparison of the theory with published experimental results for the effect of pressure on diffusion shows that the experiments agree with the form of the theoretical equation in all cases within experimental error.
P-HS-SFM: a parallel harmony search algorithm for the reproduction of experimental data in the continuous microscopic crowd dynamic models

NASA Astrophysics Data System (ADS)

Jaber, Khalid Mohammad; Alia, Osama Moh'd.; Shuaib, Mohammed Mahmod

2018-03-01

Finding the optimal parameters that can reproduce experimental data (such as the velocity-density relation and the specific flow rate) is a very important component of the validation and calibration of microscopic crowd dynamic models. Heavy computational demand during parameter search is a known limitation that exists in a previously developed model known as the Harmony Search-Based Social Force Model (HS-SFM). In this paper, a parallel-based mechanism is proposed to reduce the computational time and memory resource utilisation required to find these parameters. More specifically, two MATLAB-based multicore techniques (parfor and create independent jobs) using shared memory are developed by taking advantage of the multithreading capabilities of parallel computing, resulting in a new framework called the Parallel Harmony Search-Based Social Force Model (P-HS-SFM). The experimental results show that the parfor-based P-HS-SFM achieved a better computational time of about 26 h, an efficiency improvement of ? 54% and a speedup factor of 2.196 times in comparison with the HS-SFM sequential processor. The performance of the P-HS-SFM using the create independent jobs approach is also comparable to parfor with a computational time of 26.8 h, an efficiency improvement of about 30% and a speedup of 2.137 times.
An Eigensystem Realization Algorithm (ERA) for modal parameter identification and model reduction

NASA Technical Reports Server (NTRS)

Juang, J. N.; Pappa, R. S.

1985-01-01

A method, called the Eigensystem Realization Algorithm (ERA), is developed for modal parameter identification and model reduction of dynamic systems from test data. A new approach is introduced in conjunction with the singular value decomposition technique to derive the basic formulation of minimum order realization which is an extended version of the Ho-Kalman algorithm. The basic formulation is then transformed into modal space for modal parameter identification. Two accuracy indicators are developed to quantitatively identify the system modes and noise modes. For illustration of the algorithm, examples are shown using simulation data and experimental data for a rectangular grid structure.
A continuous optimization approach for inferring parameters in mathematical models of regulatory networks.

PubMed

Deng, Zhimin; Tian, Tianhai

2014-07-29

The advances of systems biology have raised a large number of sophisticated mathematical models for describing the dynamic property of complex biological systems. One of the major steps in developing mathematical models is to estimate unknown parameters of the model based on experimentally measured quantities. However, experimental conditions limit the amount of data that is available for mathematical modelling. The number of unknown parameters in mathematical models may be larger than the number of observation data. The imbalance between the number of experimental data and number of unknown parameters makes reverse-engineering problems particularly challenging. To address the issue of inadequate experimental data, we propose a continuous optimization approach for making reliable inference of model parameters. This approach first uses a spline interpolation to generate continuous functions of system dynamics as well as the first and second order derivatives of continuous functions. The expanded dataset is the basis to infer unknown model parameters using various continuous optimization criteria, including the error of simulation only, error of both simulation and the first derivative, or error of simulation as well as the first and second derivatives. We use three case studies to demonstrate the accuracy and reliability of the proposed new approach. Compared with the corresponding discrete criteria using experimental data at the measurement time points only, numerical results of the ERK kinase activation module show that the continuous absolute-error criteria using both function and high order derivatives generate estimates with better accuracy. This result is also supported by the second and third case studies for the G1/S transition network and the MAP kinase pathway, respectively. This suggests that the continuous absolute-error criteria lead to more accurate estimates than the corresponding discrete criteria. We also study the robustness property of these three models to examine the reliability of estimates. Simulation results show that the models with estimated parameters using continuous fitness functions have better robustness properties than those using the corresponding discrete fitness functions. The inference studies and robustness analysis suggest that the proposed continuous optimization criteria are effective and robust for estimating unknown parameters in mathematical models.
Inferring pathological states in cortical neuron microcircuits.

PubMed

Rydzewski, Jakub; Nowak, Wieslaw; Nicosia, Giuseppe

2015-12-07

The brain activity is to a large extent determined by states of neural cortex microcircuits. Unfortunately, accuracy of results from neural circuits׳ mathematical models is often biased by the presence of uncertainties in underlying experimental data. Moreover, due to problems with uncertainties identification in a multidimensional parameters space, it is almost impossible to classify states of the neural cortex, which correspond to a particular set of the parameters. Here, we develop a complete methodology for determining uncertainties and the novel protocol for classifying all states in any neuroinformatic model. Further, we test this protocol on the mathematical, nonlinear model of such a microcircuit developed by Giugliano et al. (2008) and applied in the experimental data analysis of Huntington׳s disease. Up to now, the link between parameter domains in the mathematical model of Huntington׳s disease and the pathological states in cortical microcircuits has remained unclear. In this paper we precisely identify all the uncertainties, the most crucial input parameters and domains that drive the system into an unhealthy state. The scheme proposed here is general and can be easily applied to other mathematical models of biological phenomena. Copyright © 2015 Elsevier Ltd. All rights reserved.
Experimental Assessment of the Hydraulics of a Miniature Axial-Flow Left Ventricular Assist Device

NASA Astrophysics Data System (ADS)

Smith, P. Alex; Cohn, William; Metcalfe, Ralph

2017-11-01

A minimally invasive partial-support left ventricular assist device (LVAD) has been proposed with a flow path from the left atrium to the arterial system to reduce left ventricular stroke work. In LVAD design, peak and average efficiency must be balanced over the operating range to reduce blood trauma. Axial flow pumps have many geometric parameters. Until recently, testing all these parameters was impractical, but modern 3D printing technology enables multi-parameter studies. Following theoretical design, experimental hydraulic evaluation in steady state conditions examines pressure, flow, pressure-flow gradient, efficiency, torque, and axial force as output parameters. Preliminary results suggest that impeller blades and stator vanes with higher inlet angles than recommended by mean line theory (MLT) produce flatter gradients and broader efficiency curves, increasing compatibility with heart physiology. These blades also produce less axial force, which reduces bearing load. However, they require slightly higher torque, which is more demanding of the motor. MLT is a low order, empirical model developed on large pumps. It does not account for the significant viscous losses in small pumps like LVADs. This emphasizes the importance of experimental testing for hydraulic design. Roderick D MacDonald Research Fund.
Experimental investigation on hard turning of AISI 4340 steel using cemented coated carbide insert

NASA Astrophysics Data System (ADS)

Pradeep Kumar, J.; Kishore, K. P.; Ranjith Kumar, M.; Saran Karthick, K. R.; Vishnu Gowtham, S.

2018-02-01

Hard turning is a developing technology that offers many potential advantages compared to grinding, which remains the standard finishing process for critical hardened surfaces. In this work, an attempt has been made to experimentally investigate hard turning of AISI 4340 steel under wet and dry condition using cemented coated carbide insert. Hardness of the workpiece material is tested using Brinell and Rockwell hardness testers. CNC LATHE and cemented coated carbide inserts of designation CNMG 120408 are used for conducting experimental trials. Significant cutting parameters like cutting speed, feed rate and depth of cut are considered as controllable input parameters and surface roughness (Ra), tool wear are considered as output response parameters. Design of experiments is carried out with the help of Taguchi’s L9 orthogonal array. Results of response parameters like surface roughness and tool wear under wet and dry condition are analysed. It is found that surface roughness and tool wear are higher under dry machining condition when compared to wet machining condition. Feed rate significantly influences the surface roughness followed by cutting speed. Depth of cut significantly influences the tool wear followed by cutting speed.
Chromatogram simulation by area reproduction.

PubMed

Boe, Bjarne

2007-01-12

A modified Poisson function has been developed for the simulation of chromatographic peaks. The proposed model is shown to have the property of exactly recreating the experimentally determined peak area. Model parameters are obtained directly from the experimental peak, and overlapping peaks are deconvoluted such that the area sum of overlapping peaks is kept unchanged. The method was applied to real, complex chromatograms.
Behavior of Industrial Steel Rack Connections

NASA Astrophysics Data System (ADS)

Shah, S. N. R.; Ramli Sulong, N. H.; Khan, R.; Jumaat, M. Z.; Shariati, M.

2016-03-01

Beam-to-column connections (BCCs) used in steel pallet racks (SPRs) play a significant role to maintain the stability of rack structures in the down-aisle direction. The variety in the geometry of commercially available beam end connectors hampers the development of a generalized analytic design approach for SPR BCCs. The experimental prediction of flexibility in SPR BCCs is prohibitively expensive and difficult for all types of commercially available beam end connectors. A suitable solution to derive a particular uniform M-θ relationship for each connection type in terms of geometric parameters may be achieved through finite element (FE) modeling. This study first presents a comprehensive description of the experimental investigations that were performed and used as the calibration bases for the numerical study that constituted its main contribution. A three dimensioned (3D) non-linear finite element (FE) model was developed and calibrated against the experimental results. The FE model took into account material nonlinearities, geometrical properties and large displacements. Comparisons between numerical and experimental data for observed failure modes and M-θ relationship showed close agreement. The validated FE model was further extended to perform parametric analysis to identify the effects of various parameters which may affect the overall performance of the connection.
Hydrotreating of coal-derived liquids

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

Lott, S.E.; Stohl, F.V.; Diegert, K.V.

1995-12-31

To develop a database relating hydrotreating parameters to feed and product quality by experimentally evaluating options for hydrotreating whole coal liquids, distillate cuts of coal liquids, petroleum, and blends of coal liquids with petroleum.
Optimization of Primary Drying in Lyophilization during Early Phase Drug Development using a Definitive Screening Design with Formulation and Process Factors.

PubMed

Goldman, Johnathan M; More, Haresh T; Yee, Olga; Borgeson, Elizabeth; Remy, Brenda; Rowe, Jasmine; Sadineni, Vikram

2018-06-08

Development of optimal drug product lyophilization cycles is typically accomplished via multiple engineering runs to determine appropriate process parameters. These runs require significant time and product investments, which are especially costly during early phase development when the drug product formulation and lyophilization process are often defined simultaneously. Even small changes in the formulation may require a new set of engineering runs to define lyophilization process parameters. In order to overcome these development difficulties, an eight factor definitive screening design (DSD), including both formulation and process parameters, was executed on a fully human monoclonal antibody (mAb) drug product. The DSD enables evaluation of several interdependent factors to define critical parameters that affect primary drying time and product temperature. From these parameters, a lyophilization development model is defined where near optimal process parameters can be derived for many different drug product formulations. This concept is demonstrated on a mAb drug product where statistically predicted cycle responses agree well with those measured experimentally. This design of experiments (DoE) approach for early phase lyophilization cycle development offers a workflow that significantly decreases the development time of clinically and potentially commercially viable lyophilization cycles for a platform formulation that still has variable range of compositions. Copyright © 2018. Published by Elsevier Inc.
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.
CO 2 laser cutting of MDF . 1. Determination of process parameter settings

NASA Astrophysics Data System (ADS)

Lum, K. C. P.; Ng, S. L.; Black, I.

2000-02-01

This paper details an investigation into the laser processing of medium-density fibreboard (MDF). Part 1 reports on the determination of process parameter settings for the effective cutting of MDF by CO 2 laser, using an established experimental methodology developed to study the interrelationship between and effects of varying laser set-up parameters. Results are presented for both continuous wave (CW) and pulse mode (PM) cutting, and the associated cut quality effects have been commented on.
Mathematical modeling of a thermovoltaic cell

NASA Technical Reports Server (NTRS)

White, Ralph E.; Kawanami, Makoto

1992-01-01

A new type of battery named 'Vaporvolt' cell is in the early stage of its development. A mathematical model of a CuO/Cu 'Vaporvolt' cell is presented that can be used to predict the potential and the transport behavior of the cell during discharge. A sensitivity analysis of the various transport and electrokinetic parameters indicates which parameters have the most influence on the predicted energy and power density of the 'Vaporvolt' cell. This information can be used to decide which parameters should be optimized or determined more accurately through further modeling or experimental studies. The optimal thicknesses of electrodes and separator, the concentration of the electrolyte, and the current density are determined by maximizing the power density. These parameter sensitivities and optimal design parameter values will help in the development of a better CuO/Cu 'Vaporvolt' cell.
Effect of counterface roughness on the friction of bionic wall-shaped microstructures for gecko-like attachments.

PubMed

Kasem, Haytam; Cohen, Yossi

2017-08-04

Hairy adhesive systems involved in gecko locomotion have drawn the interest of many researchers regarding the development of bionic solutions for fast and reversible adhesive technologies. To date, despite extensive efforts to design gecko-inspired adhesive surfaces, adhesion and friction capacities are often evaluated using smooth and rigid counterfaces, in general glass, whereas most natural and artificial surfaces inevitably have a certain level of roughness. For that reason, in this study experiments tested the effects of the substrate roughness on the friction of bionic wale-shaped microstructures for gecko-like attachments. To this end, 12 substrates with different isotropic roughness were prepared using the same Epoxy material. Friction force was measured under various normal loads. It was concluded that classical roughness parameters, considered separately, are not appropriate to explain roughness-related variations in friction force. This has led us to develop a new integrative roughness parameter that combines characteristics of the surface. The parameter is capable of classifying the obtained experimental results in a readable way. An analytical model based on the experimental results has been developed to predict the variation of the friction force as a function of counterface roughness and applied normal load.
GPR Imaging for Deeply Buried Objects: A Comparative Study Based on FDTD Models and Field Experiments

NASA Technical Reports Server (NTRS)

Tilley, roger; Dowla, Farid; Nekoogar, Faranak; Sadjadpour, Hamid

2012-01-01

Conventional use of Ground Penetrating Radar (GPR) is hampered by variations in background environmental conditions, such as water content in soil, resulting in poor repeatability of results over long periods of time when the radar pulse characteristics are kept the same. Target objects types might include voids, tunnels, unexploded ordinance, etc. The long-term objective of this work is to develop methods that would extend the use of GPR under various environmental and soil conditions provided an optimal set of radar parameters (such as frequency, bandwidth, and sensor configuration) are adaptively employed based on the ground conditions. Towards that objective, developing Finite Difference Time Domain (FDTD) GPR models, verified by experimental results, would allow us to develop analytical and experimental techniques to control radar parameters to obtain consistent GPR images with changing ground conditions. Reported here is an attempt at developing 20 and 3D FDTD models of buried targets verified by two different radar systems capable of operating over different soil conditions. Experimental radar data employed were from a custom designed high-frequency (200 MHz) multi-static sensor platform capable of producing 3-D images, and longer wavelength (25 MHz) COTS radar (Pulse EKKO 100) capable of producing 2-D images. Our results indicate different types of radar can produce consistent images.
Experimental Design for Stochastic Models of Nonlinear Signaling Pathways Using an Interval-Wise Linear Noise Approximation and State Estimation

PubMed Central

Zimmer, Christoph

2016-01-01

Background Computational modeling is a key technique for analyzing models in systems biology. There are well established methods for the estimation of the kinetic parameters in models of ordinary differential equations (ODE). Experimental design techniques aim at devising experiments that maximize the information encoded in the data. For ODE models there are well established approaches for experimental design and even software tools. However, data from single cell experiments on signaling pathways in systems biology often shows intrinsic stochastic effects prompting the development of specialized methods. While simulation methods have been developed for decades and parameter estimation has been targeted for the last years, only very few articles focus on experimental design for stochastic models. Methods The Fisher information matrix is the central measure for experimental design as it evaluates the information an experiment provides for parameter estimation. This article suggest an approach to calculate a Fisher information matrix for models containing intrinsic stochasticity and high nonlinearity. The approach makes use of a recently suggested multiple shooting for stochastic systems (MSS) objective function. The Fisher information matrix is calculated by evaluating pseudo data with the MSS technique. Results The performance of the approach is evaluated with simulation studies on an Immigration-Death, a Lotka-Volterra, and a Calcium oscillation model. The Calcium oscillation model is a particularly appropriate case study as it contains the challenges inherent to signaling pathways: high nonlinearity, intrinsic stochasticity, a qualitatively different behavior from an ODE solution, and partial observability. The computational speed of the MSS approach for the Fisher information matrix allows for an application in realistic size models. PMID:27583802
A simultaneous multimodal imaging system for tissue functional parameters

NASA Astrophysics Data System (ADS)

Ren, Wenqi; Zhang, Zhiwu; Wu, Qiang; Zhang, Shiwu; Xu, Ronald

2014-02-01

Simultaneous and quantitative assessment of skin functional characteristics in different modalities will facilitate diagnosis and therapy in many clinical applications such as wound healing. However, many existing clinical practices and multimodal imaging systems are subjective, qualitative, sequential for multimodal data collection, and need co-registration between different modalities. To overcome these limitations, we developed a multimodal imaging system for quantitative, non-invasive, and simultaneous imaging of cutaneous tissue oxygenation and blood perfusion parameters. The imaging system integrated multispectral and laser speckle imaging technologies into one experimental setup. A Labview interface was developed for equipment control, synchronization, and image acquisition. Advanced algorithms based on a wide gap second derivative reflectometry and laser speckle contrast analysis (LASCA) were developed for accurate reconstruction of tissue oxygenation and blood perfusion respectively. Quantitative calibration experiments and a new style of skinsimulating phantom were designed to verify the accuracy and reliability of the imaging system. The experimental results were compared with a Moor tissue oxygenation and perfusion monitor. For In vivo testing, a post-occlusion reactive hyperemia (PORH) procedure in human subject and an ongoing wound healing monitoring experiment using dorsal skinfold chamber models were conducted to validate the usability of our system for dynamic detection of oxygenation and perfusion parameters. In this study, we have not only setup an advanced multimodal imaging system for cutaneous tissue oxygenation and perfusion parameters but also elucidated its potential for wound healing assessment in clinical practice.

Development and Experimental Evaluation of an Automated Multi-Media Course on Transistors.

ERIC Educational Resources Information Center

Whitted, J.H., Jr.; And Others

A completely automated multi-media self-study program for teaching a portion of electronic solid-state fundamentals was developed. The subject matter areas included were fundamental theory of transistors, transistor amplifier fundamentals, and simple mathematical analysis of transistors including equivalent circuits, parameters, and characteristic…
Density functional theory calculations of 95Mo NMR parameters in solid-state compounds.

PubMed

Cuny, Jérôme; Furet, Eric; Gautier, Régis; Le Pollès, Laurent; Pickard, Chris J; d'Espinose de Lacaillerie, Jean-Baptiste

2009-12-21

The application of periodic density functional theory-based methods to the calculation of (95)Mo electric field gradient (EFG) and chemical shift (CS) tensors in solid-state molybdenum compounds is presented. Calculations of EFG tensors are performed using the projector augmented-wave (PAW) method. Comparison of the results with those obtained using the augmented plane wave + local orbitals (APW+lo) method and with available experimental values shows the reliability of the approach for (95)Mo EFG tensor calculation. CS tensors are calculated using the recently developed gauge-including projector augmented-wave (GIPAW) method. This work is the first application of the GIPAW method to a 4d transition-metal nucleus. The effects of ultra-soft pseudo-potential parameters, exchange-correlation functionals and structural parameters are precisely examined. Comparison with experimental results allows the validation of this computational formalism.
Predicting mesoscale microstructural evolution in electron beam welding

DOE PAGES

Rodgers, Theron M.; Madison, Jonathan D.; Tikare, Veena; ...

2016-03-16

Using the kinetic Monte Carlo simulator, Stochastic Parallel PARticle Kinetic Simulator, from Sandia National Laboratories, a user routine has been developed to simulate mesoscale predictions of a grain structure near a moving heat source. Here, we demonstrate the use of this user routine to produce voxelized, synthetic, three-dimensional microstructures for electron-beam welding by comparing them with experimentally produced microstructures. When simulation input parameters are matched to experimental process parameters, qualitative and quantitative agreement for both grain size and grain morphology are achieved. The method is capable of simulating both single- and multipass welds. As a result, the simulations provide anmore » opportunity for not only accelerated design but also the integration of simulation and experiments in design such that simulations can receive parameter bounds from experiments and, in turn, provide predictions of a resultant microstructure.« less
Changes on metabolic parameters induced by acute cannabinoid administration (CBD, THC) in a rat experimental model of nutritional vitamin A deficiency.

PubMed

El Amrani, Loubna; Porres, Jesús M; Merzouki, Abderrahmane; Louktibi, Abdelaziz; Aranda, Pilar; López-Jurado, María; Urbano, Gloria

2013-01-01

Vitamin A deficiency can result from malnutrition, malabsorption of vitamin A, impaired vitamin metabolism associated with liver disease, or chronic debilitating diseases like HIV infection or cancer. Cannabis administration has been described as a palliative symptom management therapy in such pathological stages. Therefore, this research aimed to study the effects of acute administration of cannabidiol (CBD) or thetrahydrocannabinol (THC) on the levels of retinol in plasma and in the liver, and biochemical parameters related to lipid and glucose metabolism (cholesterolaemia, triglyceridemia and glycemia) in a rat experimental model of vitamin A deficiency. The experimental animal model of Vitamin A deficiency was developed during a 50-day experimental period in which rats consumed a vitamin A-free diet. Cannabidiol (10 mg/kg body weight) or thetrahydrocannabinol (5 mg/kg body weight) were administered intraperitoneally 2 hours prior to sacrifice of the animals. The nutritional deficiency caused a significant decrease in plasmatic and liver contents of retinol and biochemical parameters of glycemic, lipidic, and mineral metabolism. Acute intraperitoneal administration of Cannabidiol and thetrahydrocannabinol did not improve the indices of vitamin A status in either control or vitamin A-deficient rats. However, it had a significant effect on specific biochemical parameters such as glucose, triglycerides, and cholesterol. Under our experimental conditions, the reported effects of cannabinoid administration on certain signs of nutritional vitamin A deficiency appeared to be mediated through mechanisms other than changes in retinol metabolism or its mobilization after the acute administration of such compounds. Copyright © AULA MEDICA EDICIONES 2013. Published by AULA MEDICA. All rights reserved.
Electromagnetic Detection of a Perfect Carpet Cloak

PubMed Central

Shi, Xihang; Gao, Fei; Lin, Xiao; Zhang, Baile

2015-01-01

It has been shown that a spherical invisibility cloak originally proposed by Pendry et al. can be electromagnetically detected by shooting a charged particle through it, whose underlying mechanism stems from the asymmetry of transformation optics applied to motions of photons and charges [PRL 103, 243901 (2009)]. However, the conceptual three-dimensional invisibility cloak that exactly follows specifications of transformation optics is formidably difficult to implement, while the simplified cylindrical cloak that has been experimentally realized is inherently visible. On the other hand, the recent carpet cloak model has acquired remarkable experimental development, including a recently demonstrated full-parameter carpet cloak without any approximation in the required constitutive parameters. In this paper, we numerically investigate the electromagnetic radiation from a charged particle passing through a perfect carpet cloak and propose an experimentally verifiable model to demonstrate symmetry breaking of transformation optics. PMID:25997798
Electromagnetic Detection of a Perfect Carpet Cloak

NASA Astrophysics Data System (ADS)

Shi, Xihang; Gao, Fei; Lin, Xiao; Zhang, Baile

2015-05-01

It has been shown that a spherical invisibility cloak originally proposed by Pendry et al. can be electromagnetically detected by shooting a charged particle through it, whose underlying mechanism stems from the asymmetry of transformation optics applied to motions of photons and charges [PRL 103, 243901 (2009)]. However, the conceptual three-dimensional invisibility cloak that exactly follows specifications of transformation optics is formidably difficult to implement, while the simplified cylindrical cloak that has been experimentally realized is inherently visible. On the other hand, the recent carpet cloak model has acquired remarkable experimental development, including a recently demonstrated full-parameter carpet cloak without any approximation in the required constitutive parameters. In this paper, we numerically investigate the electromagnetic radiation from a charged particle passing through a perfect carpet cloak and propose an experimentally verifiable model to demonstrate symmetry breaking of transformation optics.
The Scientific Program of the U.S. Naval Research Laboratory

DTIC Science & Technology

1958-07-01

systems, using mock-ups and simulated inputs. (2) Experimental determination of the quantitative parameters of systems, such as data-handling ability, time...naval service of equipment on ships, planes, and mis- siles are recorded, analyzed, and simulated . Methods are developed for the improve- ment of...H01 - NUCLEAR CONSTITUENTS AND STRUCTURE Theoretical and experimental studies concerned with elementary particles , field theory, nuclear structure
The integrated manual and automatic control of complex flight systems

NASA Technical Reports Server (NTRS)

Schmidt, D. K.

1984-01-01

A unified control synthesis methodology for complex and/or non-conventional flight vehicles are developed. Prediction techniques for the handling characteristics of such vehicles and pilot parameter identification from experimental data are addressed.
Identification of Optimum Magnetic Behavior of NanoCrystalline CmFeAl Type Heusler Alloy Powders Using Response Surface Methodology

NASA Astrophysics Data System (ADS)

Srivastava, Y.; Srivastava, S.; Boriwal, L.

2016-09-01

Mechanical alloying is a novelistic solid state process that has received considerable attention due to many advantages over other conventional processes. In the present work, Co2FeAl healer alloy powder, prepared successfully from premix basic powders of Cobalt (Co), Iron (Fe) and Aluminum (Al) in stoichiometric of 60Co-26Fe-14Al (weight %) by novelistic mechano-chemical route. Magnetic properties of mechanically alloyed powders were characterized by vibrating sample magnetometer (VSM). 2 factor 5 level design matrix was applied to experiment process. Experimental results were used for response surface methodology. Interaction between the input process parameters and the response has been established with the help of regression analysis. Further analysis of variance technique was applied to check the adequacy of developed model and significance of process parameters. Test case study was performed with those parameters, which was not selected for main experimentation but range was same. Response surface methodology, the process parameters must be optimized to obtain improved magnetic properties. Further optimum process parameters were identified using numerical and graphical optimization techniques.
In-vivo viscous properties of the heel pad by stress-relaxation experiment based on a spherical indentation.

PubMed

Suzuki, Ryo; Ito, Kohta; Lee, Taeyong; Ogihara, Naomichi

2017-12-01

Identifying the viscous properties of the plantar soft tissue is crucial not only for understanding the dynamic interaction of the foot with the ground during locomotion, but also for development of improved footwear products and therapeutic footwear interventions. In the present study, the viscous and hyperelastic material properties of the plantar soft tissue were experimentally identified using a spherical indentation test and an analytical contact model of the spherical indentation test. Force-relaxation curves of the heel pads were obtained from the indentation experiment. The curves were fit to the contact model incorporating a five-element Maxwell model to identify the viscous material parameters. The finite element method with the experimentally identified viscoelastic parameters could successfully reproduce the measured force-relaxation curves, indicating the material parameters were correctly estimated using the proposed method. Although there are some methodological limitations, the proposed framework to identify the viscous material properties may facilitate the development of subject-specific finite element modeling of the foot and other biological materials. Copyright © 2017 IPEM. Published by Elsevier Ltd. All rights reserved.
Optimization of CO2 laser cutting parameters on Austenitic type Stainless steel sheet

NASA Astrophysics Data System (ADS)

Parthiban, A.; Sathish, S.; Chandrasekaran, M.; Ravikumar, R.

2017-03-01

Thin AISI 316L stainless steel sheet widely used in sheet metal processing industries for specific applications. CO2 laser cutting is one of the most popular sheet metal cutting processes for cutting of sheets in different profile. In present work various cutting parameters such as laser power (2000 watts-4000 watts), cutting speed (3500mm/min - 5500 mm/min) and assist gas pressure (0.7 Mpa-0.9Mpa) for cutting of AISI 316L 2mm thickness stainless sheet. This experimentation was conducted based on Box-Behenken design. The aim of this work is to develop a mathematical model kerf width for straight and curved profile through response surface methodology. The developed mathematical models for straight and curved profile have been compared. The Quadratic models have the best agreement with experimental data, and also the shape of the profile a substantial role in achieving to minimize the kerf width. Finally the numerical optimization technique has been used to find out best optimum laser cutting parameter for both straight and curved profile cut.
Numerical investigation of compaction of deformable particles with bonded-particle model

NASA Astrophysics Data System (ADS)

Dosta, Maksym; Costa, Clara; Al-Qureshi, Hazim

2017-06-01

In this contribution, a novel approach developed for the microscale modelling of particles which undergo large deformations is presented. The proposed method is based on the bonded-particle model (BPM) and multi-stage strategy to adjust material and model parameters. By the BPM, modelled objects are represented as agglomerates which consist of smaller ideally spherical particles and are connected with cylindrical solid bonds. Each bond is considered as a separate object and in each time step the forces and moments acting in them are calculated. The developed approach has been applied to simulate the compaction of elastomeric rubber particles as single particles or in a random packing. To describe the complex mechanical behaviour of the particles, the solid bonds were modelled as ideally elastic beams. The functional parameters of solid bonds as well as material parameters of bonds and primary particles were estimated based on the experimental data for rubber spheres. Obtained results for acting force and for particle deformations during uniaxial compression are in good agreement with experimental data at higher strains.
The Influence of Welding Parameters on the Nugget Formation of Resistance Spot Welding of Inconel 625 Sheets

NASA Astrophysics Data System (ADS)

Rezaei Ashtiani, Hamid Reza; Zarandooz, Roozbeh

2015-09-01

A 2D axisymmetric electro-thermo-mechanical finite element (FE) model is developed to investigate the effect of current intensity, welding time, and electrode tip diameter on temperature distributions and nugget size in resistance spot welding (RSW) process of Inconel 625 superalloy sheets using ABAQUS commercial software package. The coupled electro-thermal analysis and uncoupled thermal-mechanical analysis are used for modeling process. In order to improve accuracy of simulation, material properties including physical, thermal, and mechanical properties have been considered to be temperature dependent. The thickness and diameter of computed weld nuggets are compared with experimental results and good agreement is observed. So, FE model developed in this paper provides prediction of quality and shape of the weld nuggets and temperature distributions with variation of each process parameter, suitably. Utilizing this FE model assists in adjusting RSW parameters, so that expensive experimental process can be avoided. The results show that increasing welding time and current intensity lead to an increase in the nugget size and electrode indentation, whereas increasing electrode tip diameter decreases nugget size and electrode indentation.
Identification of modal parameters including unmeasured forces and transient effects

NASA Astrophysics Data System (ADS)

Cauberghe, B.; Guillaume, P.; Verboven, P.; Parloo, E.

2003-08-01

In this paper, a frequency-domain method to estimate modal parameters from short data records with known input (measured) forces and unknown input forces is presented. The method can be used for an experimental modal analysis, an operational modal analysis (output-only data) and the combination of both. A traditional experimental and operational modal analysis in the frequency domain starts respectively, from frequency response functions and spectral density functions. To estimate these functions accurately sufficient data have to be available. The technique developed in this paper estimates the modal parameters directly from the Fourier spectra of the outputs and the known input. Instead of using Hanning windows on these short data records the transient effects are estimated simultaneously with the modal parameters. The method is illustrated, tested and validated by Monte Carlo simulations and experiments. The presented method to process short data sequences leads to unbiased estimates with a small variance in comparison to the more traditional approaches.
Employment of single-diode model to elucidate the variations in photovoltaic parameters under different electrical and thermal conditions

PubMed Central

Hameed, Shilan S.; Aziz, Fakhra; Sulaiman, Khaulah; Ahmad, Zubair

2017-01-01

In this research work, numerical simulations are performed to correlate the photovoltaic parameters with various internal and external factors influencing the performance of solar cells. Single-diode modeling approach is utilized for this purpose and theoretical investigations are compared with the reported experimental evidences for organic and inorganic solar cells at various electrical and thermal conditions. Electrical parameters include parasitic resistances (Rs and Rp) and ideality factor (n), while thermal parameters can be defined by the cells temperature (T). A comprehensive analysis concerning broad spectral variations in the short circuit current (Isc), open circuit voltage (Voc), fill factor (FF) and efficiency (η) is presented and discussed. It was generally concluded that there exists a good agreement between the simulated results and experimental findings. Nevertheless, the controversial consequence of temperature impact on the performance of organic solar cells necessitates the development of a complementary model which is capable of well simulating the temperature impact on these devices performance. PMID:28793325
Kinetic Model of Growth of Arthropoda Populations

NASA Astrophysics Data System (ADS)

Ershov, Yu. A.; Kuznetsov, M. A.

2018-05-01

Kinetic equations were derived for calculating the growth of crustacean populations ( Crustacea) based on the biological growth model suggested earlier using shrimp ( Caridea) populations as an example. The development cycle of successive stages for populations can be represented in the form of quasi-chemical equations. The kinetic equations that describe the development cycle of crustaceans allow quantitative prediction of the development of populations depending on conditions. In contrast to extrapolation-simulation models, in the developed kinetic model of biological growth the kinetic parameters are the experimental characteristics of population growth. Verification and parametric identification of the developed model on the basis of the experimental data showed agreement with experiment within the error of the measurement technique.
Spectral solution of the inverse Mie problem

NASA Astrophysics Data System (ADS)

Romanov, Andrey V.; Konokhova, Anastasiya I.; Yastrebova, Ekaterina S.; Gilev, Konstantin V.; Strokotov, Dmitry I.; Chernyshev, Andrei V.; Maltsev, Valeri P.; Yurkin, Maxim A.

2017-10-01

We developed a fast method to determine size and refractive index of homogeneous spheres from the power Fourier spectrum of their light-scattering patterns (LSPs), measured with the scanning flow cytometer. Specifically, we used two spectral parameters: the location of the non-zero peak and zero-frequency amplitude, and numerically inverted the map from the space of particle characteristics (size and refractive index) to the space of spectral parameters. The latter parameters can be reliably resolved only for particle size parameter greater than 11, and the inversion is unique only in the limited range of refractive index with upper limit between 1.1 and 1.25 (relative to the medium) depending on the size parameter and particular definition of uniqueness. The developed method was tested on two experimental samples, milk fat globules and spherized red blood cells, and resulted in accuracy not worse than the reference method based on the least-square fit of the LSP with the Mie theory. Moreover, for particles with significant deviation from the spherical shape the spectral method was much closer to the Mie-fit result than the estimated uncertainty of the latter. The spectral method also showed adequate results for synthetic LSPs of spheroids with aspect ratios up to 1.4. Overall, we present a general framework, which can be used to construct an inverse algorithm for any other experimental signals.
Identification of vehicle suspension parameters by design optimization

NASA Astrophysics Data System (ADS)

Tey, J. Y.; Ramli, R.; Kheng, C. W.; Chong, S. Y.; Abidin, M. A. Z.

2014-05-01

The design of a vehicle suspension system through simulation requires accurate representation of the design parameters. These parameters are usually difficult to measure or sometimes unavailable. This article proposes an efficient approach to identify the unknown parameters through optimization based on experimental results, where the covariance matrix adaptation-evolutionary strategy (CMA-es) is utilized to improve the simulation and experimental results against the kinematic and compliance tests. This speeds up the design and development cycle by recovering all the unknown data with respect to a set of kinematic measurements through a single optimization process. A case study employing a McPherson strut suspension system is modelled in a multi-body dynamic system. Three kinematic and compliance tests are examined, namely, vertical parallel wheel travel, opposite wheel travel and single wheel travel. The problem is formulated as a multi-objective optimization problem with 40 objectives and 49 design parameters. A hierarchical clustering method based on global sensitivity analysis is used to reduce the number of objectives to 30 by grouping correlated objectives together. Then, a dynamic summation of rank value is used as pseudo-objective functions to reformulate the multi-objective optimization to a single-objective optimization problem. The optimized results show a significant improvement in the correlation between the simulated model and the experimental model. Once accurate representation of the vehicle suspension model is achieved, further analysis, such as ride and handling performances, can be implemented for further optimization.
Modelling and analysis of a direct ascorbic acid fuel cell

NASA Astrophysics Data System (ADS)

Zeng, Yingzhi; Fujiwara, Naoko; Yamazaki, Shin-ichi; Tanimoto, Kazumi; Wu, Ping

L-Ascorbic acid (AA), also known as vitamin C, is an environmentally-benign and biologically-friendly compound that can be used as an alternative fuel for direct oxidation fuel cells. While direct ascorbic acid fuel cells (DAAFCs) have been studied experimentally, modelling and simulation of these devices have been overlooked. In this work, we develop a mathematical model to describe a DAAFC and validate it with experimental data. The model is formulated by integrating the mass and charge balances, and model parameters are estimated by best-fitting to experimental data of current-voltage curves. By comparing the transient voltage curves predicted by dynamic simulation and experiments, the model is further validated. Various parameters that affect the power generation are studied by simulation. The cathodic reaction is found to be the most significant determinant of power generation, followed by fuel feed concentration and the mass-transfer coefficient of ascorbic acid. These studies also reveal that the power density steadily increases with respect to the fuel feed concentration. The results may guide future development and operation of a more efficient DAAFC.
Fermentation of Saccharomyces cerevisiae - Combining kinetic modeling and optimization techniques points out avenues to effective process design.

PubMed

Scheiblauer, Johannes; Scheiner, Stefan; Joksch, Martin; Kavsek, Barbara

2018-09-14

A combined experimental/theoretical approach is presented, for improving the predictability of Saccharomyces cerevisiae fermentations. In particular, a mathematical model was developed explicitly taking into account the main mechanisms of the fermentation process, allowing for continuous computation of key process variables, including the biomass concentration and the respiratory quotient (RQ). For model calibration and experimental validation, batch and fed-batch fermentations were carried out. Comparison of the model-predicted biomass concentrations and RQ developments with the corresponding experimentally recorded values shows a remarkably good agreement for both batch and fed-batch processes, confirming the adequacy of the model. Furthermore, sensitivity studies were performed, in order to identify model parameters whose variations have significant effects on the model predictions: our model responds with significant sensitivity to the variations of only six parameters. These studies provide a valuable basis for model reduction, as also demonstrated in this paper. Finally, optimization-based parametric studies demonstrate how our model can be utilized for improving the efficiency of Saccharomyces cerevisiae fermentations. Copyright © 2018 Elsevier Ltd. All rights reserved.

Experimental Methods Using Photogrammetric Techniques for Parachute Canopy Shape Measurements

NASA Technical Reports Server (NTRS)

Jones, Thomas W.; Downey, James M.; Lunsford, Charles B.; Desabrais, Kenneth J.; Noetscher, Gregory

2007-01-01

NASA Langley Research Center in partnership with the U.S. Army Natick Soldier Center has collaborated on the development of a payload instrumentation package to record the physical parameters observed during parachute air drop tests. The instrumentation package records a variety of parameters including canopy shape, suspension line loads, payload 3-axis acceleration, and payload velocity. This report discusses the instrumentation design and development process, as well as the photogrammetric measurement technique used to provide shape measurements. The scaled model tests were conducted in the NASA Glenn Plum Brook Space Propulsion Facility, OH.
On the investigation of cascade and turbomachinery rotor wake characteristics

NASA Technical Reports Server (NTRS)

Raj, R.; Lakshminarayana, B.

1975-01-01

The objective of the investigation reported in this thesis is to study the characteristics of a turbomachinery rotor wake, both analytically and experimentally. The constitutive equations for the rotor wake are developed using generalized tensors and a non-inertial frame of reference. Analytical and experimental investigation is carried out in two phases; the first phase involved the study of a cascade wake in the absence of rotation and three dimensionality. In the second phase the wake of a rotor is studied. Simplified two- and three-dimensional models are developed for the prediction of the mean velocity profile of the cascade and the rotor wake, respectively, using the principle of self-similarity. The effect of various major parameters of the rotor and the flow geometry is studied on the development of a rotor wake. Laws governing the decay of the wake velocity defect in a cascade and rotor wake as a function of downstream distance from the trailing edge, pressure gradient and other parameters are derived.
Effects of human running cadence and experimental validation of the bouncing ball model

NASA Astrophysics Data System (ADS)

Bencsik, László; Zelei, Ambrus

2017-05-01

The biomechanical analysis of human running is a complex problem, because of the large number of parameters and degrees of freedom. However, simplified models can be constructed, which are usually characterized by some fundamental parameters, like step length, foot strike pattern and cadence. The bouncing ball model of human running is analysed theoretically and experimentally in this work. It is a minimally complex dynamic model when the aim is to estimate the energy cost of running and the tendency of ground-foot impact intensity as a function of cadence. The model shows that cadence has a direct effect on energy efficiency of running and ground-foot impact intensity. Furthermore, it shows that higher cadence implies lower risk of injury and better energy efficiency. An experimental data collection of 121 amateur runners is presented. The experimental results validate the model and provides information about the walk-to-run transition speed and the typical development of cadence and grounded phase ratio in different running speed ranges.
Saturated liquid density of 1,1-difluoroethane(R 152a) and thermodynamic properties along the vapor-liquid coexistence curve

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

Sato, H.; Okada, M.; Uematsu, M.

1987-01-01

Saturated liquid densities of 1,1-difluoroethane (CH/sub 3/CHF/sub 2/) are measured at temperatures from 223 K to 363 K with the estimated uncertainty of +-0.2% by a magnetic densimetry. The experimental results are compared with the available experimental data and some correlations and equations of state. A simple correlation for the saturated liquid density is developed as a function of temperature. This correlation covers the temperature range up to the critical point which reproduces the present experimental results with the percent means deviation of 0.11%. Adding the available experimental data with respect to the vapor pressure, critical parameters, saturated vapor density,more » and the second virial coefficient to the present saturated liquid density data, the parameters of the Redlich-Kwong-Soave equation of state are determined and the thermodynamic properties along the vapor-liquid coexistence curve are derived.« less
DOE Office of Scientific and Technical Information (OSTI.GOV)

Gilkey, Lindsay

This milestone presents a demonstration of the High-to-Low (Hi2Lo) process in the VVI focus area. Validation and additional calculations with the commercial computational fluid dynamics code, STAR-CCM+, were performed using a 5x5 fuel assembly with non-mixing geometry and spacer grids. This geometry was based on the benchmark experiment provided by Westinghouse. Results from the simulations were compared to existing experimental data and to the subchannel thermal-hydraulics code COBRA-TF (CTF). An uncertainty quantification (UQ) process was developed for the STAR-CCM+ model and results of the STAR UQ were communicated to CTF. Results from STAR-CCM+ simulations were used as experimental design pointsmore » in CTF to calibrate the mixing parameter β and compared to results obtained using experimental data points. This demonstrated that CTF’s β parameter can be calibrated to match existing experimental data more closely. The Hi2Lo process for the STAR-CCM+/CTF code coupling was documented in this milestone and closely linked L3:VVI.H2LP15.01 milestone report.« less
Designing novel cellulase systems through agent-based modeling and global sensitivity analysis.

PubMed

Apte, Advait A; Senger, Ryan S; Fong, Stephen S

2014-01-01

Experimental techniques allow engineering of biological systems to modify functionality; however, there still remains a need to develop tools to prioritize targets for modification. In this study, agent-based modeling (ABM) was used to build stochastic models of complexed and non-complexed cellulose hydrolysis, including enzymatic mechanisms for endoglucanase, exoglucanase, and β-glucosidase activity. Modeling results were consistent with experimental observations of higher efficiency in complexed systems than non-complexed systems and established relationships between specific cellulolytic mechanisms and overall efficiency. Global sensitivity analysis (GSA) of model results identified key parameters for improving overall cellulose hydrolysis efficiency including: (1) the cellulase half-life, (2) the exoglucanase activity, and (3) the cellulase composition. Overall, the following parameters were found to significantly influence cellulose consumption in a consolidated bioprocess (CBP): (1) the glucose uptake rate of the culture, (2) the bacterial cell concentration, and (3) the nature of the cellulase enzyme system (complexed or non-complexed). Broadly, these results demonstrate the utility of combining modeling and sensitivity analysis to identify key parameters and/or targets for experimental improvement.
Computational modeling of cardiovascular response to orthostatic stress

NASA Technical Reports Server (NTRS)

Heldt, Thomas; Shim, Eun B.; Kamm, Roger D.; Mark, Roger G.

2002-01-01

The objective of this study is to develop a model of the cardiovascular system capable of simulating the short-term (< or = 5 min) transient and steady-state hemodynamic responses to head-up tilt and lower body negative pressure. The model consists of a closed-loop lumped-parameter representation of the circulation connected to set-point models of the arterial and cardiopulmonary baroreflexes. Model parameters are largely based on literature values. Model verification was performed by comparing the simulation output under baseline conditions and at different levels of orthostatic stress to sets of population-averaged hemodynamic data reported in the literature. On the basis of experimental evidence, we adjusted some model parameters to simulate experimental data. Orthostatic stress simulations are not statistically different from experimental data (two-sided test of significance with Bonferroni adjustment for multiple comparisons). Transient response characteristics of heart rate to tilt also compare well with reported data. A case study is presented on how the model is intended to be used in the future to investigate the effects of post-spaceflight orthostatic intolerance.
Designing novel cellulase systems through agent-based modeling and global sensitivity analysis

PubMed Central

Apte, Advait A; Senger, Ryan S; Fong, Stephen S

2014-01-01

Experimental techniques allow engineering of biological systems to modify functionality; however, there still remains a need to develop tools to prioritize targets for modification. In this study, agent-based modeling (ABM) was used to build stochastic models of complexed and non-complexed cellulose hydrolysis, including enzymatic mechanisms for endoglucanase, exoglucanase, and β-glucosidase activity. Modeling results were consistent with experimental observations of higher efficiency in complexed systems than non-complexed systems and established relationships between specific cellulolytic mechanisms and overall efficiency. Global sensitivity analysis (GSA) of model results identified key parameters for improving overall cellulose hydrolysis efficiency including: (1) the cellulase half-life, (2) the exoglucanase activity, and (3) the cellulase composition. Overall, the following parameters were found to significantly influence cellulose consumption in a consolidated bioprocess (CBP): (1) the glucose uptake rate of the culture, (2) the bacterial cell concentration, and (3) the nature of the cellulase enzyme system (complexed or non-complexed). Broadly, these results demonstrate the utility of combining modeling and sensitivity analysis to identify key parameters and/or targets for experimental improvement. PMID:24830736
Experimental study of nonlinear ultrasonic behavior of soil materials during the compaction.

PubMed

Chen, Jun; Wang, Hao; Yao, Yangping

2016-07-01

In this paper, the nonlinear ultrasonic behavior of unconsolidated granular medium - soil during the compaction is experimentally studied. The second harmonic generation technique is adopted to investigate the change of microstructural void in materials during the compaction process of loose soils. The nonlinear parameter is measured with the change of two important environmental factors i.e. moisture content and impact energy of compaction. It is found the nonlinear parameter of soil material presents a similar variation pattern with the void ratio of soil samples, corresponding to the increased moisture content and impact energy. A same optimum moisture content is found by observing the variation of nonlinear parameter and void ratio with respect to moisture content. The results indicate that the unconsolidated soil is manipulated by a strong material nonlinearity during the compaction procedure. The developed experimental technique based on the second harmonic generation could be a fast and convenient testing method for the determination of optimum moisture content of soil materials, which is very useful for the better compaction effect of filled embankment for civil infrastructures in-situ. Copyright © 2016 Elsevier B.V. All rights reserved.
Mean velocity and turbulence measurements in a 90 deg curved duct with thin inlet boundary layer

NASA Technical Reports Server (NTRS)

Crawford, R. A.; Peters, C. E.; Steinhoff, J.; Hornkohl, J. O.; Nourinejad, J.; Ramachandran, K.

1985-01-01

The experimental database established by this investigation of the flow in a large rectangular turning duct is of benchmark quality. The experimental Reynolds numbers, Deans numbers and boundary layer characteristics are significantly different from previous benchmark curved-duct experimental parameters. This investigation extends the experimental database to higher Reynolds number and thinner entrance boundary layers. The 5% to 10% thick boundary layers, based on duct half-width, results in a large region of near-potential flow in the duct core surrounded by developing boundary layers with large crossflows. The turbulent entrance boundary layer case at R sub ed = 328,000 provides an incompressible flowfield which approaches real turbine blade cascade characteristics. The results of this investigation provide a challenging benchmark database for computational fluid dynamics code development.
Parameter optimization for the visco-hyperelastic constitutive model of tendon using FEM.

PubMed

Tang, C Y; Ng, G Y F; Wang, Z W; Tsui, C P; Zhang, G

2011-01-01

Numerous constitutive models describing the mechanical properties of tendons have been proposed during the past few decades. However, few were widely used owing to the lack of implementation in the general finite element (FE) software, and very few systematic studies have been done on selecting the most appropriate parameters for these constitutive laws. In this work, the visco-hyperelastic constitutive model of the tendon implemented through the use of three-parameter Mooney-Rivlin form and sixty-four-parameter Prony series were firstly analyzed using ANSYS FE software. Afterwards, an integrated optimization scheme was developed by coupling two optimization toolboxes (OPTs) of ANSYS and MATLAB for estimating these unknown constitutive parameters of the tendon. Finally, a group of Sprague-Dawley rat tendons was used to execute experimental and numerical simulation investigation. The simulated results showed good agreement with the experimental data. An important finding revealed that too many Maxwell elements was not necessary for assuring accuracy of the model, which is often neglected in most open literatures. Thus, all these proved that the constitutive parameter optimization scheme was reliable and highly efficient. Furthermore, the approach can be extended to study other tendons or ligaments, as well as any visco-hyperelastic solid materials.
Design and development of radioactive xenon gas purification and analysis system based on molecular sieves.

PubMed

Sabzian, M; Nasrabadi, M N; Haji-Hosseini, M

2018-10-01

The dynamic adsorption of xenon on molecular sieve packed columns was investigated. The modified Wheeler-Jonas equation was used to describe adsorption parameters such as adsorption capacity and adsorption rate coefficient. Different experimental conditions were accomplished to study their effects and to touch appropriate adsorbing circumstances. Respectable consistency was reached between experimental and modeled values. A purification and analysis setup was developed for radioactive xenon gas determination. Standard sample analysis results approved acceptable quantification accuracy. Copyright © 2018. Published by Elsevier Ltd.
Noise characteristics of upper surface blown configurations: Analytical Studies

NASA Technical Reports Server (NTRS)

Reddy, N. N.; Tibbetts, J. G.; Pennock, A. P.; Tam, C. K. W.

1978-01-01

Noise and flow results of upper surface blown configurations were analyzed. The dominant noise source mechanisms were identified from experimental data. From far-field noise data for various geometric and operational parameters, an empirical noise prediction program was developed and evaluated by comparing predicted results with experimental data from other tests. USB aircraft compatibility studies were conducted using the described noise prediction and a cruise performance data base. A final design aircraft was selected and theory was developed for the noise from the trailing edge wake assuming it as a highly sheared layer.
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 Â© 2016 Elsevier B.V. All rights reserved.
Direct conversion from Jerusalem artichoke to hydroxymethylfurfural (HMF) using the Fenton reaction.

PubMed

Seo, Yeong Hwan; Han, Jong-In

2014-05-15

A simple method for hydroxymethylfurfural (HMF) production from non-crop biomass of the Jerusalem artichoke was developed using the Fenton reaction, in a mixture of 2-butanol and water. Four parameters (temperature, reaction time, Fe(2+) concentration, and H2O2 concentration) were identified as experimental factors, and HMF yield was selected as the response parameter. The experimental factors were optimised by employing Response Surface Methodology (RSM). The maximum HMF yield, of 46%, was obtained with a reaction time of 90 min, Fe(2+) concentration of 1.3 mM, and 0.47 M of H2O2 at 180 °C. Copyright © 2014. Published by Elsevier Ltd.
Determination of Structural and Morphological Parameters of Human Bulbar Conjunctiva from Optical Diffuse Reflectance Spectra

NASA Astrophysics Data System (ADS)

Lisenko, S. A.; Firago, V. A.; Kugeiko, M. M.; Kubarko, A. I.

2016-09-01

We have developed a method for on-the-fl y retrieval of the volume concentration of blood vessels, the average diameter of the blood vessels, the blood oxygenation level, and the molar concentrations of chromophores in the bulbar conjunctiva from its diffuse reflectance spectra, measured when the radiation delivery and detection channels are spatially separated. The relationship between the diffuse reflectance spectrum of the conjunctiva and its unknown parameters is described in terms of an analytical model, constructed on the basis of a highly accurate approximation analog of the Monte Carlo method. We have studied the effect of localization of hemoglobin in erythrocytes and localization of erythrocytes in the blood vessels on the power of the retrieval of structural and morphological parameters for the conjunctiva. We developed a device for obtaining video images of the conjunctiva and contactless measurements of its diffuse reflectance spectrum. By comparing simulated diffuse reflectance spectra of the conjunctiva with the experimental measurements, we established a set of chromophores which must be taken into account in the model for reproducing the experimental data within the measurement error. We observed absorption bands for neuroglobin in the experimental spectra, and provided a theoretical basis for the possibility of determining its absolute concentrations in the conjunctiva. We have shown that our method can detect low bilirubin concentrations in blood.
Probing Quark-Gluon-Plasma properties with a Bayesian model-to-data comparison

NASA Astrophysics Data System (ADS)

Cai, Tianji; Bernhard, Jonah; Ke, Weiyao; Bass, Steffen; Duke QCD Group Team

2016-09-01

Experiments at RHIC and LHC study a special state of matter called the Quark Gluon Plasma (QGP), where quarks and gluons roam freely, by colliding relativistic heavy-ions. Given the transitory nature of the QGP, its properties can only be explored by comparing computational models of its formation and evolution to experimental data. The models fall, roughly speaking, under two categories-those solely using relativistic viscous hydrodynamics (pure hydro model) and those that in addition couple to a microscopic Boltzmann transport for the later evolution of the hadronic decay products (hybrid model). Each of these models has multiple parameters that encode the physical properties we want to probe and that need to be calibrated to experimental data, a task which is computationally expensive, but necessary for the knowledge extraction and determination of the models' quality. Our group has developed an analysis technique based on Bayesian Statistics to perform the model calibration and to extract probability distributions for each model parameter. Following the previous work that applies the technique to the hybrid model, we now perform a similar analysis on a pure-hydro model and display the posterior distributions for the same set of model parameters. We also develop a set of criteria to assess the quality of the two models with respect to their ability to describe current experimental data. Funded by Duke University Goldman Sachs Research Fellowship.
Effect of low dose of vinclozolin on reproductive tract development and sperm parameters in CD1 outbred mice.

PubMed

Elzeinova, Fatima; Novakova, Vendula; Buckiova, Daniela; Kubatova, Alena; Peknicova, Jana

2008-01-01

The effect of a low dose of vinclozolin within the development of the reproductive tract during gestation (VIN-GD 15-22) and puberty (VIN-PND 23-44) in CD1 mice was tested. We found a decrease in the anogenital distance, prostate weight and pathology of testes in both experimental groups. Sperm counts decreased to 46% (VIN-GD) and to 81% (VIN-PND), and also the acrosomal state (evaluated by antiacrosomal antibody) decreased in both groups to 89% in comparison to the control group (100%). Sperm head abnormalities increased by approximately 18% and 13%, respectively. In this connection, the expression of some genes was changed (arosome-related gene (Acr), apoptosis related genes (p53, p21)). In conclusion, a low dose of vinclozolin affected the reproductive tract, sperm parameters and expression of selected genes in both experimental groups.
Development and experimental validation of a frying model to estimate acrylamide levels in French fries.

PubMed

Palazoğlu, T K; Gökmen, V

2008-04-01

In this study, a numerical model was developed to simulate frying of potato strips and estimate acrylamide levels in French fries. Heat and mass transfer parameters determined during frying of potato strips and the formation and degradation kinetic parameters of acrylamide obtained with a sugar-asparagine model system were incorporated within the model. The effect of reducing sugar content (0.3 to 2.15 g/100 g dry matter), strip thickness (8.5 x 8.5 mm and 10 x 10 mm), and frying time (3, 4, 5, and 6 min) and temperature (150, 170, and 190 degrees C) on resultant acrylamide level in French fries was investigated both numerically and experimentally. The model appeared to closely estimate the acrylamide contents, and thereby may potentially save considerable time, money, and effort during the stages of process design and optimization.
Thermoplastic matrix composite processing model

NASA Technical Reports Server (NTRS)

Dara, P. H.; Loos, A. C.

1985-01-01

The effects the processing parameters pressure, temperature, and time have on the quality of continuous graphite fiber reinforced thermoplastic matrix composites were quantitatively accessed by defining the extent to which intimate contact and bond formation has occurred at successive ply interfaces. Two models are presented predicting the extents to which the ply interfaces have achieved intimate contact and cohesive strength. The models are based on experimental observation of compression molded laminates and neat resin conditions, respectively. Identified as the mechanism explaining the phenomenon by which the plies bond to themselves is the theory of autohesion (or self diffusion). Theoretical predictions from the Reptation Theory between autohesive strength and contact time are used to explain the effects of the processing parameters on the observed experimental strengths. The application of a time-temperature relationship for autohesive strength predictions is evaluated. A viscoelastic compression molding model of a tow was developed to explain the phenomenon by which the prepreg ply interfaces develop intimate contact.

A partition function-based weighting scheme in force field parameter development using ab initio calculation results in global configurational space.

PubMed

Wu, Yao; Dai, Xiaodong; Huang, Niu; Zhao, Lifeng

2013-06-05

In force field parameter development using ab initio potential energy surfaces (PES) as target data, an important but often neglected matter is the lack of a weighting scheme with optimal discrimination power to fit the target data. Here, we developed a novel partition function-based weighting scheme, which not only fits the target potential energies exponentially like the general Boltzmann weighting method, but also reduces the effect of fitting errors leading to overfitting. The van der Waals (vdW) parameters of benzene and propane were reparameterized by using the new weighting scheme to fit the high-level ab initio PESs probed by a water molecule in global configurational space. The molecular simulation results indicate that the newly derived parameters are capable of reproducing experimental properties in a broader range of temperatures, which supports the partition function-based weighting scheme. Our simulation results also suggest that structural properties are more sensitive to vdW parameters than partial atomic charge parameters in these systems although the electrostatic interactions are still important in energetic properties. As no prerequisite conditions are required, the partition function-based weighting method may be applied in developing any types of force field parameters. Copyright © 2013 Wiley Periodicals, Inc.
Origin of the blood hyperserotonemia of autism

PubMed Central

Janušonis, Skirmantas

2008-01-01

Background Research in the last fifty years has shown that many autistic individuals have elevated serotonin (5-hydroxytryptamine, 5-HT) levels in blood platelets. This phenomenon, known as the platelet hyperserotonemia of autism, is considered to be one of the most well-replicated findings in biological psychiatry. Its replicability suggests that many of the genes involved in autism affect a small number of biological networks. These networks may also play a role in the early development of the autistic brain. Results We developed an equation that allows calculation of platelet 5-HT concentration as a function of measurable biological parameters. It also provides information about the sensitivity of platelet 5-HT levels to each of the parameters and their interactions. Conclusion The model yields platelet 5-HT concentrations that are consistent with values reported in experimental studies. If the parameters are considered independent, the model predicts that platelet 5-HT levels should be sensitive to changes in the platelet 5-HT uptake rate constant, the proportion of free 5-HT cleared in the liver and lungs, the gut 5-HT production rate and its regulation, and the volume of the gut wall. Linear and non-linear interactions among these and other parameters are specified in the equation, which may facilitate the design and interpretation of experimental studies. PMID:18498654
Origin of the blood hyperserotonemia of autism.

PubMed

Janusonis, Skirmantas

2008-05-22

Research in the last fifty years has shown that many autistic individuals have elevated serotonin (5-hydroxytryptamine, 5-HT) levels in blood platelets. This phenomenon, known as the platelet hyperserotonemia of autism, is considered to be one of the most well-replicated findings in biological psychiatry. Its replicability suggests that many of the genes involved in autism affect a small number of biological networks. These networks may also play a role in the early development of the autistic brain. We developed an equation that allows calculation of platelet 5-HT concentration as a function of measurable biological parameters. It also provides information about the sensitivity of platelet 5-HT levels to each of the parameters and their interactions. The model yields platelet 5-HT concentrations that are consistent with values reported in experimental studies. If the parameters are considered independent, the model predicts that platelet 5-HT levels should be sensitive to changes in the platelet 5-HT uptake rate constant, the proportion of free 5-HT cleared in the liver and lungs, the gut 5-HT production rate and its regulation, and the volume of the gut wall. Linear and non-linear interactions among these and other parameters are specified in the equation, which may facilitate the design and interpretation of experimental studies.
Optimal experimental designs for the estimation of thermal properties of composite materials

NASA Technical Reports Server (NTRS)

Scott, Elaine P.; Moncman, Deborah A.

1994-01-01

Reliable estimation of thermal properties is extremely important in the utilization of new advanced materials, such as composite materials. The accuracy of these estimates can be increased if the experiments are designed carefully. The objectives of this study are to design optimal experiments to be used in the prediction of these thermal properties and to then utilize these designs in the development of an estimation procedure to determine the effective thermal properties (thermal conductivity and volumetric heat capacity). The experiments were optimized by choosing experimental parameters that maximize the temperature derivatives with respect to all of the unknown thermal properties. This procedure has the effect of minimizing the confidence intervals of the resulting thermal property estimates. Both one-dimensional and two-dimensional experimental designs were optimized. A heat flux boundary condition is required in both analyses for the simultaneous estimation of the thermal properties. For the one-dimensional experiment, the parameters optimized were the heating time of the applied heat flux, the temperature sensor location, and the experimental time. In addition to these parameters, the optimal location of the heat flux was also determined for the two-dimensional experiments. Utilizing the optimal one-dimensional experiment, the effective thermal conductivity perpendicular to the fibers and the effective volumetric heat capacity were then estimated for an IM7-Bismaleimide composite material. The estimation procedure used is based on the minimization of a least squares function which incorporates both calculated and measured temperatures and allows for the parameters to be estimated simultaneously.
Optimization of photocatalytic degradation of methyl blue using silver ion doped titanium dioxide by combination of experimental design and response surface approach.

PubMed

Sahoo, C; Gupta, A K

2012-05-15

Photocatalytic degradation of methyl blue (MYB) was studied using Ag(+) doped TiO(2) under UV irradiation in a batch reactor. Catalytic dose, initial concentration of dye and pH of the reaction mixture were found to influence the degradation process most. The degradation was found to be effective in the range catalytic dose (0.5-1.5g/L), initial dye concentration (25-100ppm) and pH of reaction mixture (5-9). Using the three factors three levels Box-Behnken design of experiment technique 15 sets of experiments were designed considering the effective ranges of the influential parameters. The results of the experiments were fitted to two quadratic polynomial models developed using response surface methodology (RSM), representing functional relationship between the decolorization and mineralization of MYB and the experimental parameters. Design Expert software version 8.0.6.1 was used to optimize the effects of the experimental parameters on the responses. The optimum values of the parameters were dose of Ag(+) doped TiO(2) 0.99g/L, initial concentration of MYB 57.68ppm and pH of reaction mixture 7.76. Under the optimal condition the predicted decolorization and mineralization rate of MYB were 95.97% and 80.33%, respectively. Regression analysis with R(2) values >0.99 showed goodness of fit of the experimental results with predicted values. Copyright © 2012 Elsevier B.V. All rights reserved.
Parameter discovery in stochastic biological models using simulated annealing and statistical model checking.

PubMed

Hussain, Faraz; Jha, Sumit K; Jha, Susmit; Langmead, Christopher J

2014-01-01

Stochastic models are increasingly used to study the behaviour of biochemical systems. While the structure of such models is often readily available from first principles, unknown quantitative features of the model are incorporated into the model as parameters. Algorithmic discovery of parameter values from experimentally observed facts remains a challenge for the computational systems biology community. We present a new parameter discovery algorithm that uses simulated annealing, sequential hypothesis testing, and statistical model checking to learn the parameters in a stochastic model. We apply our technique to a model of glucose and insulin metabolism used for in-silico validation of artificial pancreata and demonstrate its effectiveness by developing parallel CUDA-based implementation for parameter synthesis in this model.
SBML-PET-MPI: a parallel parameter estimation tool for Systems Biology Markup Language based models.

PubMed

Zi, Zhike

2011-04-01

Parameter estimation is crucial for the modeling and dynamic analysis of biological systems. However, implementing parameter estimation is time consuming and computationally demanding. Here, we introduced a parallel parameter estimation tool for Systems Biology Markup Language (SBML)-based models (SBML-PET-MPI). SBML-PET-MPI allows the user to perform parameter estimation and parameter uncertainty analysis by collectively fitting multiple experimental datasets. The tool is developed and parallelized using the message passing interface (MPI) protocol, which provides good scalability with the number of processors. SBML-PET-MPI is freely available for non-commercial use at http://www.bioss.uni-freiburg.de/cms/sbml-pet-mpi.html or http://sites.google.com/site/sbmlpetmpi/.
DOE Office of Scientific and Technical Information (OSTI.GOV)

Bamberger, Judith A.; Piepel, Gregory F.; Enderlin, Carl W.

Understanding how uncertainty manifests itself in complex experiments is important for developing the testing protocol and interpreting the experimental results. This paper describes experimental and measurement uncertainties, and how they can depend on the order of performing experimental tests. Experiments with pulse-jet mixers in tanks at three scales were conducted to characterize the performance of transient-developing periodic flows in Newtonian slurries. Other test parameters included the simulant, solids concentration, and nozzle exit velocity. Critical suspension velocity and cloud height were the metrics used to characterize Newtonian slurry flow associated with mobilization and mixing. During testing, near-replicate and near-repeat tests weremore » conducted. The experimental results were used to quantify the combined experimental and measurement uncertainties using standard deviations and percent relative standard deviations (%RSD) The uncertainties in critical suspension velocity and cloud height tend to increase with the values of these responses. Hence, the %RSD values are the more appropriate summary measure of near-replicate testing and measurement uncertainty.« less
Dissipative particle dynamics (DPD) simulations with fragment molecular orbital (FMO) based effective parameters for 1-Palmitoyl-2-oleoyl phosphatidyl choline (POPC) membrane

NASA Astrophysics Data System (ADS)

Doi, Hideo; Okuwaki, Koji; Mochizuki, Yuji; Ozawa, Taku; Yasuoka, Kenji

2017-09-01

In dissipative particle dynamics (DPD) simulations, it is necessary to use the so-called χ parameter set that express the effective interactions between particles. Recently, we have developed a new scheme to evaluate the χ parameters in a non-empirical way through a series of fragment molecular orbital (FMO) calculations. As a challenging test, we have performed the DPD simulations using the FMO-based χ parameters for a mixture of 1-Palmitoyl-2-oleoyl phosphatidyl choline (POPC) and water. The structures of both membrane and vesicle were formed successfully. The calculated structural parameters of membrane were in good agreement with experimental results.
A parameter estimation technique for stochastic self-assembly systems and its application to human papillomavirus self-assembly.

PubMed

Kumar, M Senthil; Schwartz, Russell

2010-12-09

Virus capsid assembly has been a key model system for studies of complex self-assembly but it does pose some significant challenges for modeling studies. One important limitation is the difficulty of determining accurate rate parameters. The large size and rapid assembly of typical viruses make it infeasible to directly measure coat protein binding rates or deduce them from the relatively indirect experimental measures available. In this work, we develop a computational strategy to deduce coat-coat binding rate parameters for viral capsid assembly systems by fitting stochastic simulation trajectories to experimental measures of assembly progress. Our method combines quadratic response surface and quasi-gradient descent approximations to deal with the high computational cost of simulations, stochastic noise in simulation trajectories and limitations of the available experimental data. The approach is demonstrated on a light scattering trajectory for a human papillomavirus (HPV) in vitro assembly system, showing that the method can provide rate parameters that produce accurate curve fits and are in good concordance with prior analysis of the data. These fits provide an insight into potential assembly mechanisms of the in vitro system and give a basis for exploring how these mechanisms might vary between in vitro and in vivo assembly conditions.
A parameter estimation technique for stochastic self-assembly systems and its application to human papillomavirus self-assembly

NASA Astrophysics Data System (ADS)

Senthil Kumar, M.; Schwartz, Russell

2010-12-01

Virus capsid assembly has been a key model system for studies of complex self-assembly but it does pose some significant challenges for modeling studies. One important limitation is the difficulty of determining accurate rate parameters. The large size and rapid assembly of typical viruses make it infeasible to directly measure coat protein binding rates or deduce them from the relatively indirect experimental measures available. In this work, we develop a computational strategy to deduce coat-coat binding rate parameters for viral capsid assembly systems by fitting stochastic simulation trajectories to experimental measures of assembly progress. Our method combines quadratic response surface and quasi-gradient descent approximations to deal with the high computational cost of simulations, stochastic noise in simulation trajectories and limitations of the available experimental data. The approach is demonstrated on a light scattering trajectory for a human papillomavirus (HPV) in vitro assembly system, showing that the method can provide rate parameters that produce accurate curve fits and are in good concordance with prior analysis of the data. These fits provide an insight into potential assembly mechanisms of the in vitro system and give a basis for exploring how these mechanisms might vary between in vitro and in vivo assembly conditions.
A method for operative quantitative interpretation of multispectral images of biological tissues

NASA Astrophysics Data System (ADS)

Lisenko, S. A.; Kugeiko, M. M.

2013-10-01

A method for operative retrieval of spatial distributions of biophysical parameters of a biological tissue by using a multispectral image of it has been developed. The method is based on multiple regressions between linearly independent components of the diffuse reflection spectrum of the tissue and unknown parameters. Possibilities of the method are illustrated by an example of determining biophysical parameters of the skin (concentrations of melanin, hemoglobin and bilirubin, blood oxygenation, and scattering coefficient of the tissue). Examples of quantitative interpretation of the experimental data are presented.
Phase diagram of single vesicle dynamical states in shear flow.

PubMed

Deschamps, J; Kantsler, V; Steinberg, V

2009-03-20

We report the first experimental phase diagram of vesicle dynamical states in a shear flow presented in a space of two dimensionless parameters suggested recently by V. Lebedev et al. To reduce errors in the control parameters, 3D geometrical reconstruction and determination of the viscosity contrast of a vesicle in situ in a plane Couette flow device prior to the experiment are developed. Our results are in accord with the theory predicting three distinctly separating regions of vesicle dynamical states in the plane of just two self-similar parameters.
RIPL - Reference Input Parameter Library for Calculation of Nuclear Reactions and Nuclear Data Evaluations

NASA Astrophysics Data System (ADS)

Capote, R.; Herman, M.; Obložinský, P.; Young, P. G.; Goriely, S.; Belgya, T.; Ignatyuk, A. V.; Koning, A. J.; Hilaire, S.; Plujko, V. A.; Avrigeanu, M.; Bersillon, O.; Chadwick, M. B.; Fukahori, T.; Ge, Zhigang; Han, Yinlu; Kailas, S.; Kopecky, J.; Maslov, V. M.; Reffo, G.; Sin, M.; Soukhovitskii, E. Sh.; Talou, P.

2009-12-01

We describe the physics and data included in the Reference Input Parameter Library, which is devoted to input parameters needed in calculations of nuclear reactions and nuclear data evaluations. Advanced modelling codes require substantial numerical input, therefore the International Atomic Energy Agency (IAEA) has worked extensively since 1993 on a library of validated nuclear-model input parameters, referred to as the Reference Input Parameter Library (RIPL). A final RIPL coordinated research project (RIPL-3) was brought to a successful conclusion in December 2008, after 15 years of challenging work carried out through three consecutive IAEA projects. The RIPL-3 library was released in January 2009, and is available on the Web through http://www-nds.iaea.org/RIPL-3/. This work and the resulting database are extremely important to theoreticians involved in the development and use of nuclear reaction modelling (ALICE, EMPIRE, GNASH, UNF, TALYS) both for theoretical research and nuclear data evaluations. The numerical data and computer codes included in RIPL-3 are arranged in seven segments: MASSES contains ground-state properties of nuclei for about 9000 nuclei, including three theoretical predictions of masses and the evaluated experimental masses of Audi et al. (2003). DISCRETE LEVELS contains 117 datasets (one for each element) with all known level schemes, electromagnetic and γ-ray decay probabilities available from ENSDF in October 2007. NEUTRON RESONANCES contains average resonance parameters prepared on the basis of the evaluations performed by Ignatyuk and Mughabghab. OPTICAL MODEL contains 495 sets of phenomenological optical model parameters defined in a wide energy range. When there are insufficient experimental data, the evaluator has to resort to either global parameterizations or microscopic approaches. Radial density distributions to be used as input for microscopic calculations are stored in the MASSES segment. LEVEL DENSITIES contains phenomenological parameterizations based on the modified Fermi gas and superfluid models and microscopic calculations which are based on a realistic microscopic single-particle level scheme. Partial level densities formulae are also recommended. All tabulated total level densities are consistent with both the recommended average neutron resonance parameters and discrete levels. GAMMA contains parameters that quantify giant resonances, experimental gamma-ray strength functions and methods for calculating gamma emission in statistical model codes. The experimental GDR parameters are represented by Lorentzian fits to the photo-absorption cross sections for 102 nuclides ranging from 51V to 239Pu. FISSION includes global prescriptions for fission barriers and nuclear level densities at fission saddle points based on microscopic HFB calculations constrained by experimental fission cross sections.
RIPL - Reference Input Parameter Library for Calculation of Nuclear Reactions and Nuclear Data Evaluations

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

Capote, R.; Herman, M.; Oblozinsky, P.

We describe the physics and data included in the Reference Input Parameter Library, which is devoted to input parameters needed in calculations of nuclear reactions and nuclear data evaluations. Advanced modelling codes require substantial numerical input, therefore the International Atomic Energy Agency (IAEA) has worked extensively since 1993 on a library of validated nuclear-model input parameters, referred to as the Reference Input Parameter Library (RIPL). A final RIPL coordinated research project (RIPL-3) was brought to a successful conclusion in December 2008, after 15 years of challenging work carried out through three consecutive IAEA projects. The RIPL-3 library was released inmore » January 2009, and is available on the Web through (http://www-nds.iaea.org/RIPL-3/). This work and the resulting database are extremely important to theoreticians involved in the development and use of nuclear reaction modelling (ALICE, EMPIRE, GNASH, UNF, TALYS) both for theoretical research and nuclear data evaluations. The numerical data and computer codes included in RIPL-3 are arranged in seven segments: MASSES contains ground-state properties of nuclei for about 9000 nuclei, including three theoretical predictions of masses and the evaluated experimental masses of Audi et al. (2003). DISCRETE LEVELS contains 117 datasets (one for each element) with all known level schemes, electromagnetic and {gamma}-ray decay probabilities available from ENSDF in October 2007. NEUTRON RESONANCES contains average resonance parameters prepared on the basis of the evaluations performed by Ignatyuk and Mughabghab. OPTICAL MODEL contains 495 sets of phenomenological optical model parameters defined in a wide energy range. When there are insufficient experimental data, the evaluator has to resort to either global parameterizations or microscopic approaches. Radial density distributions to be used as input for microscopic calculations are stored in the MASSES segment. LEVEL DENSITIES contains phenomenological parameterizations based on the modified Fermi gas and superfluid models and microscopic calculations which are based on a realistic microscopic single-particle level scheme. Partial level densities formulae are also recommended. All tabulated total level densities are consistent with both the recommended average neutron resonance parameters and discrete levels. GAMMA contains parameters that quantify giant resonances, experimental gamma-ray strength functions and methods for calculating gamma emission in statistical model codes. The experimental GDR parameters are represented by Lorentzian fits to the photo-absorption cross sections for 102 nuclides ranging from {sup 51}V to {sup 239}Pu. FISSION includes global prescriptions for fission barriers and nuclear level densities at fission saddle points based on microscopic HFB calculations constrained by experimental fission cross sections.« less
RIPL-Reference Input Parameter Library for Calculation of Nuclear Reactions and Nuclear Data Evaluations

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

Capote, R.; Herman, M.; Capote,R.

We describe the physics and data included in the Reference Input Parameter Library, which is devoted to input parameters needed in calculations of nuclear reactions and nuclear data evaluations. Advanced modelling codes require substantial numerical input, therefore the International Atomic Energy Agency (IAEA) has worked extensively since 1993 on a library of validated nuclear-model input parameters, referred to as the Reference Input Parameter Library (RIPL). A final RIPL coordinated research project (RIPL-3) was brought to a successful conclusion in December 2008, after 15 years of challenging work carried out through three consecutive IAEA projects. The RIPL-3 library was released inmore » January 2009, and is available on the Web through http://www-nds.iaea.org/RIPL-3/. This work and the resulting database are extremely important to theoreticians involved in the development and use of nuclear reaction modelling (ALICE, EMPIRE, GNASH, UNF, TALYS) both for theoretical research and nuclear data evaluations. The numerical data and computer codes included in RIPL-3 are arranged in seven segments: MASSES contains ground-state properties of nuclei for about 9000 nuclei, including three theoretical predictions of masses and the evaluated experimental masses of Audi et al. (2003). DISCRETE LEVELS contains 117 datasets (one for each element) with all known level schemes, electromagnetic and {gamma}-ray decay probabilities available from ENSDF in October 2007. NEUTRON RESONANCES contains average resonance parameters prepared on the basis of the evaluations performed by Ignatyuk and Mughabghab. OPTICAL MODEL contains 495 sets of phenomenological optical model parameters defined in a wide energy range. When there are insufficient experimental data, the evaluator has to resort to either global parameterizations or microscopic approaches. Radial density distributions to be used as input for microscopic calculations are stored in the MASSES segment. LEVEL DENSITIES contains phenomenological parameterizations based on the modified Fermi gas and superfluid models and microscopic calculations which are based on a realistic microscopic single-particle level scheme. Partial level densities formulae are also recommended. All tabulated total level densities are consistent with both the recommended average neutron resonance parameters and discrete levels. GAMMA contains parameters that quantify giant resonances, experimental gamma-ray strength functions and methods for calculating gamma emission in statistical model codes. The experimental GDR parameters are represented by Lorentzian fits to the photo-absorption cross sections for 102 nuclides ranging from {sup 51}V to {sup 239}Pu. FISSION includes global prescriptions for fission barriers and nuclear level densities at fission saddle points based on microscopic HFB calculations constrained by experimental fission cross sections.« less
Electrochemical carbon dioxide concentrator: Math model

NASA Technical Reports Server (NTRS)

Marshall, R. D.; Schubert, F. H.; Carlson, J. N.

1973-01-01

A steady state computer simulation model of an Electrochemical Depolarized Carbon Dioxide Concentrator (EDC) has been developed. The mathematical model combines EDC heat and mass balance equations with empirical correlations derived from experimental data to describe EDC performance as a function of the operating parameters involved. The model is capable of accurately predicting performance over EDC operating ranges. Model simulation results agree with the experimental data obtained over the prediction range.
Identification of differences between finite element analysis and experimental vibration data

NASA Technical Reports Server (NTRS)

Lawrence, C.

1986-01-01

An important problem that has emerged from combined analytical/experimental investigations is the task of identifying and quantifying the differences between results predicted by F.E. analysis and results obtained from experiment. The objective of this study is to extend and evaluate the procedure developed by Sidhu for correlation of linear F.E. and modal test data to include structures with viscous damping. The desirability of developing this procedure is that the differences are identified in terms of physical mass, damping, and stiffness parameters instead of in terms of frequencies and modes shapes. Since the differences are computed in terms of physical parameters, locations of modeling problems can be directly identified in the F.E. model. From simulated data it was determined that the accuracy of the computed differences increases as the number of experimentally measured modes included in the calculations is increased. When the number of experimental modes is at least equal to the number of translational degrees of freedom in the F.E. model both the location and magnitude of the differences can be computed very accurately. When the number of modes is less than this amount the location of the differences may be determined even though their magnitudes will be under estimated.
Experimental clean combustor program: Noise study

NASA Technical Reports Server (NTRS)

Sofrin, T. G.; Riloff, N., Jr.

1976-01-01

Under a Noise Addendum to the NASA Experimental Clean Combustor Program (ECCP) internal pressure fluctuations were measured during tests of JT9D combustor designs conducted in a burner test rig. Measurements were correlated with burner operating parameters using an expression relating farfield noise to these parameters. For a given combustor, variation of internal noise with operating parameters was reasonably well predicted by this expression but the levels were higher than farfield predictions and differed significantly among several combustors. For two burners, discharge stream temperature fluctuations were obtained with fast-response thermocouples to allow calculation of indirect combustion noise which would be generated by passage of the temperature inhomogeneities through the high pressure turbine stages of a JT9D turbofan engine. Using a previously developed analysis, the computed indirect combustion noise was significantly lower than total low frequency core noise observed on this and several other engines.
Design and analysis of planar spiral resonator bandstop filter for microwave frequency

NASA Astrophysics Data System (ADS)

Motakabber, S. M. A.; Shaifudin Suharsono, Muhammad

2017-11-01

In microwave frequency, a spiral resonator can act as either frequency reject or acceptor circuits. A planar logarithmic spiral resonator bandstop filter has been developed based on this property. This project focuses on the rejection property of the spiral resonator. The performance analysis of the exhibited filter circuit has been performed by using scattering parameters (S-parameters) technique in the ultra-wideband microwave frequency. The proposed filter is built, simulated and S-parameters analysis have been accomplished by using electromagnetic simulation software CST microwave studio. The commercial microwave substrate Taconic TLX-8 has been used to build this filter. Experimental results showed that the -10 dB rejection bandwidth of the filter is 2.32 GHz and central frequency is 5.72 GHz which is suitable for ultra-wideband applications. The proposed design has been full of good compliance with the simulated and experimental results here.

Modeling and optimization of joint quality for laser transmission joint of thermoplastic using an artificial neural network and a genetic algorithm

NASA Astrophysics Data System (ADS)

Wang, Xiao; Zhang, Cheng; Li, Pin; Wang, Kai; Hu, Yang; Zhang, Peng; Liu, Huixia

2012-11-01

A central composite rotatable experimental design(CCRD) is conducted to design experiments for laser transmission joining of thermoplastic-Polycarbonate (PC). The artificial neural network was used to establish the relationships between laser transmission joining process parameters (the laser power, velocity, clamp pressure, scanning number) and joint strength and joint seam width. The developed mathematical models are tested by analysis of variance (ANOVA) method to check their adequacy and the effects of process parameters on the responses and the interaction effects of key process parameters on the quality are analyzed and discussed. Finally, the desirability function coupled with genetic algorithm is used to carry out the optimization of the joint strength and joint width. The results show that the predicted results of the optimization are in good agreement with the experimental results, so this study provides an effective method to enhance the joint quality.
Non-destructive evaluation of porosity and its effect on mechanical properties of carbon fiber reinforced polymer composite materials

NASA Astrophysics Data System (ADS)

Bhat, M. R.; Binoy, M. P.; Surya, N. M.; Murthy, C. R. L.; Engelbart, R. W.

2012-05-01

In this work, an attempt is made to induce porosity of varied levels in carbon fiber reinforced epoxy based polymer composite laminates fabricated using prepregs by varying the fabrication parameters such as applied vacuum, autoclave pressure and curing temperature. Different NDE tools have been utilized to evaluate the porosity content and correlate with measurable parameters of different NDE techniques. Primarily, ultrasonic imaging and real time digital X-ray imaging have been tried to obtain a measurable parameter which can represent or reflect the amount of porosity contained in the composite laminate. Also, effect of varied porosity content on mechanical properties of the CFRP composite materials is investigated through a series of experimental investigations. The outcome of the experimental approach has yielded interesting and encouraging trend as a first step towards developing an NDE tool for quantification of effect of varied porosity in the polymer composite materials.
Parameter estimation for lithium ion batteries

NASA Astrophysics Data System (ADS)

Santhanagopalan, Shriram

With an increase in the demand for lithium based batteries at the rate of about 7% per year, the amount of effort put into improving the performance of these batteries from both experimental and theoretical perspectives is increasing. There exist a number of mathematical models ranging from simple empirical models to complicated physics-based models to describe the processes leading to failure of these cells. The literature is also rife with experimental studies that characterize the various properties of the system in an attempt to improve the performance of lithium ion cells. However, very little has been done to quantify the experimental observations and relate these results to the existing mathematical models. In fact, the best of the physics based models in the literature show as much as 20% discrepancy when compared to experimental data. The reasons for such a big difference include, but are not limited to, numerical complexities involved in extracting parameters from experimental data and inconsistencies in interpreting directly measured values for the parameters. In this work, an attempt has been made to implement simplified models to extract parameter values that accurately characterize the performance of lithium ion cells. The validity of these models under a variety of experimental conditions is verified using a model discrimination procedure. Transport and kinetic properties are estimated using a non-linear estimation procedure. The initial state of charge inside each electrode is also maintained as an unknown parameter, since this value plays a significant role in accurately matching experimental charge/discharge curves with model predictions and is not readily known from experimental data. The second part of the dissertation focuses on parameters that change rapidly with time. For example, in the case of lithium ion batteries used in Hybrid Electric Vehicle (HEV) applications, the prediction of the State of Charge (SOC) of the cell under a variety of road conditions is important. An algorithm to predict the SOC in time intervals as small as 5 ms is of critical demand. In such cases, the conventional non-linear estimation procedure is not time-effective. There exist methodologies in the literature, such as those based on fuzzy logic; however, these techniques require a lot of computational storage space. Consequently, it is not possible to implement such techniques on a micro-chip for integration as a part of a real-time device. The Extended Kalman Filter (EKF) based approach presented in this work is a first step towards developing an efficient method to predict online, the State of Charge of a lithium ion cell based on an electrochemical model. The final part of the dissertation focuses on incorporating uncertainty in parameter values into electrochemical models using the polynomial chaos theory (PCT).
Minimising the effect of nanoparticle deformation in intermittent contact amplitude modulation atomic force microscopy measurements

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

Babic, Bakir, E-mail: bakir.babic@measurement.gov.au; Lawn, Malcolm A.; Coleman, Victoria A.

The results of systematic height measurements of polystyrene (PS) nanoparticles using intermittent contact amplitude modulation atomic force microscopy (IC-AM-AFM) are presented. The experimental findings demonstrate that PS nanoparticles deform during AFM imaging, as indicated by a reduction in the measured particle height. This deformation depends on the IC-AM-AFM imaging parameters, material composition, and dimensional properties of the nanoparticles. A model for nanoparticle deformation occurring during IC-AM-AFM imaging is developed as a function of the peak force which can be calculated for a particular set of experimental conditions. The undeformed nanoparticle height can be estimated from the model by extrapolation tomore » zero peak force. A procedure is proposed to quantify and minimise nanoparticle deformation during IC-AM-AFM imaging, based on appropriate adjustments of the experimental control parameters.« less
Sound production on a "coaxial saxophone".

PubMed

Doc, J-B; Vergez, C; Guillemain, P; Kergomard, J

2016-11-01

Sound production on a "coaxial saxophone" is investigated experimentally. The coaxial saxophone is a variant of the cylindrical saxophone made up of two tubes mounted in parallel, which can be seen as a low-frequency analogy of a truncated conical resonator with a mouthpiece. Initially developed for the purposes of theoretical analysis, an experimental verification of the analogy between conical and cylindrical saxophones has never been reported. The present paper explains why the volume of the cylindrical saxophone mouthpiece limits the achievement of a good playability. To limit the mouthpiece volume, a coaxial alignment of pipes is proposed and a prototype of coaxial saxophone is built. An impedance model of coaxial resonator is proposed and validated by comparison with experimental data. Sound production is also studied through experiments with a blowing machine. The playability of the prototype is then assessed and proven for several values of the blowing pressure, of the embouchure parameter, and of the instrument's geometrical parameters.
A geometrical approach to control and controllability of nonlinear dynamical networks

PubMed Central

Wang, Le-Zhi; Su, Ri-Qi; Huang, Zi-Gang; Wang, Xiao; Wang, Wen-Xu; Grebogi, Celso; Lai, Ying-Cheng

2016-01-01

In spite of the recent interest and advances in linear controllability of complex networks, controlling nonlinear network dynamics remains an outstanding problem. Here we develop an experimentally feasible control framework for nonlinear dynamical networks that exhibit multistability. The control objective is to apply parameter perturbation to drive the system from one attractor to another, assuming that the former is undesired and the latter is desired. To make our framework practically meaningful, we consider restricted parameter perturbation by imposing two constraints: it must be experimentally realizable and applied only temporarily. We introduce the concept of attractor network, which allows us to formulate a quantifiable controllability framework for nonlinear dynamical networks: a network is more controllable if the attractor network is more strongly connected. We test our control framework using examples from various models of experimental gene regulatory networks and demonstrate the beneficial role of noise in facilitating control. PMID:27076273
Application of Novel Lateral Tire Force Sensors to Vehicle Parameter Estimation of Electric Vehicles.

PubMed

Nam, Kanghyun

2015-11-11

This article presents methods for estimating lateral vehicle velocity and tire cornering stiffness, which are key parameters in vehicle dynamics control, using lateral tire force measurements. Lateral tire forces acting on each tire are directly measured by load-sensing hub bearings that were invented and further developed by NSK Ltd. For estimating the lateral vehicle velocity, tire force models considering lateral load transfer effects are used, and a recursive least square algorithm is adapted to identify the lateral vehicle velocity as an unknown parameter. Using the estimated lateral vehicle velocity, tire cornering stiffness, which is an important tire parameter dominating the vehicle's cornering responses, is estimated. For the practical implementation, the cornering stiffness estimation algorithm based on a simple bicycle model is developed and discussed. Finally, proposed estimation algorithms were evaluated using experimental test data.
Melanoma Cell Colony Expansion Parameters Revealed by Approximate Bayesian Computation

PubMed Central

Vo, Brenda N.; Drovandi, Christopher C.; Pettitt, Anthony N.; Pettet, Graeme J.

2015-01-01

In vitro studies and mathematical models are now being widely used to study the underlying mechanisms driving the expansion of cell colonies. This can improve our understanding of cancer formation and progression. Although much progress has been made in terms of developing and analysing mathematical models, far less progress has been made in terms of understanding how to estimate model parameters using experimental in vitro image-based data. To address this issue, a new approximate Bayesian computation (ABC) algorithm is proposed to estimate key parameters governing the expansion of melanoma cell (MM127) colonies, including cell diffusivity, D, cell proliferation rate, λ, and cell-to-cell adhesion, q, in two experimental scenarios, namely with and without a chemical treatment to suppress cell proliferation. Even when little prior biological knowledge about the parameters is assumed, all parameters are precisely inferred with a small posterior coefficient of variation, approximately 2–12%. The ABC analyses reveal that the posterior distributions of D and q depend on the experimental elapsed time, whereas the posterior distribution of λ does not. The posterior mean values of D and q are in the ranges 226–268 µm2h−1, 311–351 µm2h−1 and 0.23–0.39, 0.32–0.61 for the experimental periods of 0–24 h and 24–48 h, respectively. Furthermore, we found that the posterior distribution of q also depends on the initial cell density, whereas the posterior distributions of D and λ do not. The ABC approach also enables information from the two experiments to be combined, resulting in greater precision for all estimates of D and λ. PMID:26642072
A practical model of thin disk regenerative amplifier based on analytical expression of ASE lifetime

NASA Astrophysics Data System (ADS)

Zhou, Huang; Chyla, Michal; Nagisetty, Siva Sankar; Chen, Liyuan; Endo, Akira; Smrz, Martin; Mocek, Tomas

2017-12-01

In this paper, a practical model of a thin disk regenerative amplifier has been developed based on an analytical approach, in which Drew A. Copeland [1] had evaluated the loss rate of the upper state laser level due to ASE and derived the analytical expression of the effective life-time of the upper-state laser level by taking the Lorentzian stimulated emission line-shape and total internal reflection into account. By adopting the analytical expression of effective life-time in the rate equations, we have developed a less numerically intensive model for predicting and analyzing the performance of a thin disk regenerative amplifier. Thanks to the model, optimized combination of various parameters can be obtained to avoid saturation, period-doubling bifurcation or first pulse suppression prior to experiments. The effective life-time due to ASE is also analyzed against various parameters. The simulated results fit well with experimental data. By fitting more experimental results with numerical model, we can improve the parameters of the model, such as reflective factor which is used to determine the weight of boundary reflection within the influence of ASE. This practical model will be used to explore the scaling limits imposed by ASE of the thin disk regenerative amplifier being developed in HiLASE Centre.
Development of low-stress Iridium coatings for astronomical x-ray mirrors

NASA Astrophysics Data System (ADS)

Döhring, Thorsten; Probst, Anne-Catherine; Stollenwerk, Manfred; Wen, Mingwu; Proserpio, Laura

2016-07-01

Previously used mirror technologies are not suitable for the challenging needs of future X-ray telescopes. This is why the required high precision mirror manufacturing triggers new technical developments around the world. Some aspects of X-ray mirrors production are studied within the interdisciplinary project INTRAAST, a German acronym for "industry transfer of astronomical mirror technologies". The project is embedded in a cooperation of Aschaffenburg University of Applied Sciences and the Max-Planck-Institute for extraterrestrial Physics. One important task is the development of low-stress Iridium coatings for X-ray mirrors based on slumped thin glass substrates. The surface figure of the glass substrates is measured before and after the coating process by optical methods. Correlating the surface shape deformation to the parameters of coating deposition, here especially to the Argon sputtering pressure, allows for an optimization of the process. The sputtering parameters also have an influence on the coating layer density and on the micro-roughness of the coatings, influencing their X-ray reflection properties. Unfortunately the optimum coating process parameters seem to be contrarious: low Argon pressure resulted in better micro-roughness and higher density, whereas higher pressure leads to lower coating stress. Therefore additional measures like intermediate coating layers and temperature treatment will be considered for further optimization. The technical approach for the low-stress Iridium coating development, the experimental equipment, and the obtained first experimental results are presented within this paper.
Evaluation of transverse dispersion effects in tank experiments by numerical modeling: parameter estimation, sensitivity analysis and revision of experimental design.

PubMed

Ballarini, E; Bauer, S; Eberhardt, C; Beyer, C

2012-06-01

Transverse dispersion represents an important mixing process for transport of contaminants in groundwater and constitutes an essential prerequisite for geochemical and biodegradation reactions. Within this context, this work describes the detailed numerical simulation of highly controlled laboratory experiments using uranine, bromide and oxygen depleted water as conservative tracers for the quantification of transverse mixing in porous media. Synthetic numerical experiments reproducing an existing laboratory experimental set-up of quasi two-dimensional flow through tank were performed to assess the applicability of an analytical solution of the 2D advection-dispersion equation for the estimation of transverse dispersivity as fitting parameter. The fitted dispersivities were compared to the "true" values introduced in the numerical simulations and the associated error could be precisely estimated. A sensitivity analysis was performed on the experimental set-up in order to evaluate the sensitivities of the measurements taken at the tank experiment on the individual hydraulic and transport parameters. From the results, an improved experimental set-up as well as a numerical evaluation procedure could be developed, which allow for a precise and reliable determination of dispersivities. The improved tank set-up was used for new laboratory experiments, performed at advective velocities of 4.9 m d(-1) and 10.5 m d(-1). Numerical evaluation of these experiments yielded a unique and reliable parameter set, which closely fits the measured tracer concentration data. For the porous medium with a grain size of 0.25-0.30 mm, the fitted longitudinal and transverse dispersivities were 3.49×10(-4) m and 1.48×10(-5) m, respectively. The procedures developed in this paper for the synthetic and rigorous design and evaluation of the experiments can be generalized and transferred to comparable applications. Copyright © 2012 Elsevier B.V. All rights reserved.
ESTIMATION OF CONSTANT AND TIME-VARYING DYNAMIC PARAMETERS OF HIV INFECTION IN A NONLINEAR DIFFERENTIAL EQUATION MODEL.

PubMed

Liang, Hua; Miao, Hongyu; Wu, Hulin

2010-03-01

Modeling viral dynamics in HIV/AIDS studies has resulted in deep understanding of pathogenesis of HIV infection from which novel antiviral treatment guidance and strategies have been derived. Viral dynamics models based on nonlinear differential equations have been proposed and well developed over the past few decades. However, it is quite challenging to use experimental or clinical data to estimate the unknown parameters (both constant and time-varying parameters) in complex nonlinear differential equation models. Therefore, investigators usually fix some parameter values, from the literature or by experience, to obtain only parameter estimates of interest from clinical or experimental data. However, when such prior information is not available, it is desirable to determine all the parameter estimates from data. In this paper, we intend to combine the newly developed approaches, a multi-stage smoothing-based (MSSB) method and the spline-enhanced nonlinear least squares (SNLS) approach, to estimate all HIV viral dynamic parameters in a nonlinear differential equation model. In particular, to the best of our knowledge, this is the first attempt to propose a comparatively thorough procedure, accounting for both efficiency and accuracy, to rigorously estimate all key kinetic parameters in a nonlinear differential equation model of HIV dynamics from clinical data. These parameters include the proliferation rate and death rate of uninfected HIV-targeted cells, the average number of virions produced by an infected cell, and the infection rate which is related to the antiviral treatment effect and is time-varying. To validate the estimation methods, we verified the identifiability of the HIV viral dynamic model and performed simulation studies. We applied the proposed techniques to estimate the key HIV viral dynamic parameters for two individual AIDS patients treated with antiretroviral therapies. We demonstrate that HIV viral dynamics can be well characterized and quantified for individual patients. As a result, personalized treatment decision based on viral dynamic models is possible.
How Sensitive Are Transdermal Transport Predictions by Microscopic Stratum Corneum Models to Geometric and Transport Parameter Input?

PubMed

Wen, Jessica; Koo, Soh Myoung; Lape, Nancy

2018-02-01

While predictive models of transdermal transport have the potential to reduce human and animal testing, microscopic stratum corneum (SC) model output is highly dependent on idealized SC geometry, transport pathway (transcellular vs. intercellular), and penetrant transport parameters (e.g., compound diffusivity in lipids). Most microscopic models are limited to a simple rectangular brick-and-mortar SC geometry and do not account for variability across delivery sites, hydration levels, and populations. In addition, these models rely on transport parameters obtained from pure theory, parameter fitting to match in vivo experiments, and time-intensive diffusion experiments for each compound. In this work, we develop a microscopic finite element model that allows us to probe model sensitivity to variations in geometry, transport pathway, and hydration level. Given the dearth of experimentally-validated transport data and the wide range in theoretically-predicted transport parameters, we examine the model's response to a variety of transport parameters reported in the literature. Results show that model predictions are strongly dependent on all aforementioned variations, resulting in order-of-magnitude differences in lag times and permeabilities for distinct structure, hydration, and parameter combinations. This work demonstrates that universally predictive models cannot fully succeed without employing experimentally verified transport parameters and individualized SC structures. Copyright © 2018 American Pharmacists Association®. Published by Elsevier Inc. All rights reserved.
Parameterization and prediction of nanoparticle transport in porous media: A reanalysis using artificial neural network

NASA Astrophysics Data System (ADS)

Babakhani, Peyman; Bridge, Jonathan; Doong, Ruey-an; Phenrat, Tanapon

2017-06-01

The continuing rapid expansion of industrial and consumer processes based on nanoparticles (NP) necessitates a robust model for delineating their fate and transport in groundwater. An ability to reliably specify the full parameter set for prediction of NP transport using continuum models is crucial. In this paper we report the reanalysis of a data set of 493 published column experiment outcomes together with their continuum modeling results. Experimental properties were parameterized into 20 factors which are commonly available. They were then used to predict five key continuum model parameters as well as the effluent concentration via artificial neural network (ANN)-based correlations. The Partial Derivatives (PaD) technique and Monte Carlo method were used for the analysis of sensitivities and model-produced uncertainties, respectively. The outcomes shed light on several controversial relationships between the parameters, e.g., it was revealed that the trend of Katt with average pore water velocity was positive. The resulting correlations, despite being developed based on a "black-box" technique (ANN), were able to explain the effects of theoretical parameters such as critical deposition concentration (CDC), even though these parameters were not explicitly considered in the model. Porous media heterogeneity was considered as a parameter for the first time and showed sensitivities higher than those of dispersivity. The model performance was validated well against subsets of the experimental data and was compared with current models. The robustness of the correlation matrices was not completely satisfactory, since they failed to predict the experimental breakthrough curves (BTCs) at extreme values of ionic strengths.
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.
The effect of the electron–phonon interaction on reverse currents of GaAs-based p–n junctions

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

Zhukov, A. V., E-mail: ZhukovAndreyV@mail.ru

An algorithm for calculating the parameters of the electron–phonon interaction of the EL2 trap has been developed and implemented based on the example of GaAs. Using the obtained parameters, the field dependences of the probabilities of nonradiative transitions from the trap and reverse currents of the GaAs p–n junctions are calculated, which are in good agreement with the experimental data.
D-Optimal Experimental Design for Contaminant Source Identification

NASA Astrophysics Data System (ADS)

Sai Baba, A. K.; Alexanderian, A.

2016-12-01

Contaminant source identification seeks to estimate the release history of a conservative solute given point concentration measurements at some time after the release. This can be mathematically expressed as an inverse problem, with a linear observation operator or a parameter-to-observation map, which we tackle using a Bayesian approach. Acquisition of experimental data can be laborious and expensive. The goal is to control the experimental parameters - in our case, the sparsity of the sensors, to maximize the information gain subject to some physical or budget constraints. This is known as optimal experimental design (OED). D-optimal experimental design seeks to maximize the expected information gain, and has long been considered the gold standard in the statistics community. Our goal is to develop scalable methods for D-optimal experimental designs involving large-scale PDE constrained problems with high-dimensional parameter fields. A major challenge for the OED, is that a nonlinear optimization algorithm for the D-optimality criterion requires repeated evaluation of objective function and gradient involving the determinant of large and dense matrices - this cost can be prohibitively expensive for applications of interest. We propose novel randomized matrix techniques that bring down the computational costs of the objective function and gradient evaluations by several orders of magnitude compared to the naive approach. The effect of randomized estimators on the accuracy and the convergence of the optimization solver will be discussed. The features and benefits of our new approach will be demonstrated on a challenging model problem from contaminant source identification involving the inference of the initial condition from spatio-temporal observations in a time-dependent advection-diffusion problem.
Optimization of Parameter Ranges for Composite Tape Winding Process Based on Sensitivity Analysis

NASA Astrophysics Data System (ADS)

Yu, Tao; Shi, Yaoyao; He, Xiaodong; Kang, Chao; Deng, Bo; Song, Shibo

2017-08-01

This study is focus on the parameters sensitivity of winding process for composite prepreg tape. The methods of multi-parameter relative sensitivity analysis and single-parameter sensitivity analysis are proposed. The polynomial empirical model of interlaminar shear strength is established by response surface experimental method. Using this model, the relative sensitivity of key process parameters including temperature, tension, pressure and velocity is calculated, while the single-parameter sensitivity curves are obtained. According to the analysis of sensitivity curves, the stability and instability range of each parameter are recognized. Finally, the optimization method of winding process parameters is developed. The analysis results show that the optimized ranges of the process parameters for interlaminar shear strength are: temperature within [100 °C, 150 °C], tension within [275 N, 387 N], pressure within [800 N, 1500 N], and velocity within [0.2 m/s, 0.4 m/s], respectively.
Evolving Non-Dominated Parameter Sets for Computational Models from Multiple Experiments

NASA Astrophysics Data System (ADS)

Lane, Peter C. R.; Gobet, Fernand

2013-03-01

Creating robust, reproducible and optimal computational models is a key challenge for theorists in many sciences. Psychology and cognitive science face particular challenges as large amounts of data are collected and many models are not amenable to analytical techniques for calculating parameter sets. Particular problems are to locate the full range of acceptable model parameters for a given dataset, and to confirm the consistency of model parameters across different datasets. Resolving these problems will provide a better understanding of the behaviour of computational models, and so support the development of general and robust models. In this article, we address these problems using evolutionary algorithms to develop parameters for computational models against multiple sets of experimental data; in particular, we propose the `speciated non-dominated sorting genetic algorithm' for evolving models in several theories. We discuss the problem of developing a model of categorisation using twenty-nine sets of data and models drawn from four different theories. We find that the evolutionary algorithms generate high quality models, adapted to provide a good fit to all available data.
Development of a tuned interfacial force field parameter set for the simulation of protein adsorption to silica glass.

PubMed

Snyder, James A; Abramyan, Tigran; Yancey, Jeremy A; Thyparambil, Aby A; Wei, Yang; Stuart, Steven J; Latour, Robert A

2012-12-01

Adsorption free energies for eight host-guest peptides (TGTG-X-GTGT, with X = N, D, G, K, F, T, W, and V) on two different silica surfaces [quartz (100) and silica glass] were calculated using umbrella sampling and replica exchange molecular dynamics and compared with experimental values determined by atomic force microscopy. Using the CHARMM force field, adsorption free energies were found to be overestimated (i.e., too strongly adsorbing) by about 5-9 kcal/mol compared to the experimental data for both types of silica surfaces. Peptide adsorption behavior for the silica glass surface was then adjusted using a modified version of the CHARMM program, which we call dual force-field CHARMM, which allows separate sets of nonbonded parameters (i.e., partial charge and Lennard-Jones parameters) to be used to represent intra-phase and inter-phase interactions within a given molecular system. Using this program, interfacial force field (IFF) parameters for the peptide-silica glass systems were corrected to obtain adsorption free energies within about 0.5 kcal/mol of their respective experimental values, while IFF tuning for the quartz (100) surface remains for future work. The tuned IFF parameter set for silica glass will subsequently be used for simulations of protein adsorption behavior on silica glass with greater confidence in the balance between relative adsorption affinities of amino acid residues and the aqueous solution for the silica glass surface.

Development of a Tuned Interfacial Force Field Parameter Set for the Simulation of Protein Adsorption to Silica Glass

PubMed Central

Snyder, James A.; Abramyan, Tigran; Yancey, Jeremy A.; Thyparambil, Aby A.; Wei, Yang; Stuart, Steven J.; Latour, Robert A.

2012-01-01

Adsorption free energies for eight host–guest peptides (TGTG-X-GTGT, with X = N, D, G, K, F, T, W, and V) on two different silica surfaces [quartz (100) and silica glass] were calculated using umbrella sampling and replica exchange molecular dynamics and compared with experimental values determined by atomic force microscopy. Using the CHARMM force field, adsorption free energies were found to be overestimated (i.e., too strongly adsorbing) by about 5–9 kcal/mol compared to the experimental data for both types of silica surfaces. Peptide adsorption behavior for the silica glass surface was then adjusted using a modified version of the CHARMM program, which we call dual force-field CHARMM, which allows separate sets of nonbonded parameters (i.e., partial charge and Lennard-Jones parameters) to be used to represent intra-phase and inter-phase interactions within a given molecular system. Using this program, interfacial force field (IFF) parameters for the peptide-silica glass systems were corrected to obtain adsorption free energies within about 0.5 kcal/mol of their respective experimental values, while IFF tuning for the quartz (100) surface remains for future work. The tuned IFF parameter set for silica glass will subsequently be used for simulations of protein adsorption behavior on silica glass with greater confidence in the balance between relative adsorption affinities of amino acid residues and the aqueous solution for the silica glass surface. PMID:22941539
Experimental study on performance of new low-density proppant

NASA Astrophysics Data System (ADS)

Tian, Yu; Qu, Zhanqing; Cheng, Yingchun; Gong, Yuanzhi

2018-04-01

In recent years, Unconventional oil and gas resources have gradually become an important part of oil and gas development. The development of the above resources must be applied to hydraulic fracturing technology. As a key material in fracturing technology, the proppant is an important factor influencing the success of fracturing. The parameters of ceramsite are excellent which can be used in most fracturing operation. And self-suspension proppant also has good parameters, gelling and gelling breaking, can greatly simplify the oilfield fracturing site construction difficulty, so it can be a new kind of fracturing material as oilfield operation.
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).
Predictive modeling of infrared radiative heating in tomato dry-peeling process: Part II. Model validation and sensitivity analysis

USDA-ARS?s Scientific Manuscript database

A predictive mathematical model was developed to simulate heat transfer in a tomato undergoing double sided infrared (IR) heating in a dry-peeling process. The aims of this study were to validate the developed model using experimental data and to investigate different engineering parameters that mos...
Secondary wastewater polishing with ultrafiltration membranes for unrestricted reuse: fouling and flushing modeling.

PubMed

Gillerman, Leonid; Bick, Amos; Buriakovsky, Nisan; Oron, Gideon

2006-11-01

The effects of operating parameters such astransmembrane pressure, retentate, and recirculation volumetric flow rates on the productivity of an ultrafiltration membrane were studied using field data and development of a management model. Correlation equations for predicting the volumetric permeate flow rates were derived from general membrane blocking laws and experimental data. The experimental data were obtained from a pilot study carried out in the Arad wastewater treatment system (a pilot plant operating in feed and bleed operation mode) located several kilometers west of the City of Arad, Israel. Correlation predictions were confirmed with the independent experimental results. The results enabled us to develop a mathematical expression accurately describing the decline in flux due to fouling.
Improved Peptide and Protein Torsional Energetics with the OPLSAA Force Field.

PubMed

Robertson, Michael J; Tirado-Rives, Julian; Jorgensen, William L

2015-07-14

The development and validation of new peptide dihedral parameters are reported for the OPLS-AA force field. High accuracy quantum chemical methods were used to scan φ, ψ, χ1, and χ2 potential energy surfaces for blocked dipeptides. New Fourier coefficients for the dihedral angle terms of the OPLS-AA force field were fit to these surfaces, utilizing a Boltzmann-weighted error function and systematically examining the effects of weighting temperature. To prevent overfitting to the available data, a minimal number of new residue-specific and peptide-specific torsion terms were developed. Extensive experimental solution-phase and quantum chemical gas-phase benchmarks were used to assess the quality of the new parameters, named OPLS-AA/M, demonstrating significant improvement over previous OPLS-AA force fields. A Boltzmann weighting temperature of 2000 K was determined to be optimal for fitting the new Fourier coefficients for dihedral angle parameters. Conclusions are drawn from the results for best practices for developing new torsion parameters for protein force fields.
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
Uncertainty quantification of voice signal production mechanical model and experimental updating

NASA Astrophysics Data System (ADS)

Cataldo, E.; Soize, C.; Sampaio, R.

2013-11-01

The aim of this paper is to analyze the uncertainty quantification in a voice production mechanical model and update the probability density function corresponding to the tension parameter using the Bayes method and experimental data. Three parameters are considered uncertain in the voice production mechanical model used: the tension parameter, the neutral glottal area and the subglottal pressure. The tension parameter of the vocal folds is mainly responsible for the changing of the fundamental frequency of a voice signal, generated by a mechanical/mathematical model for producing voiced sounds. The three uncertain parameters are modeled by random variables. The probability density function related to the tension parameter is considered uniform and the probability density functions related to the neutral glottal area and the subglottal pressure are constructed using the Maximum Entropy Principle. The output of the stochastic computational model is the random voice signal and the Monte Carlo method is used to solve the stochastic equations allowing realizations of the random voice signals to be generated. For each realization of the random voice signal, the corresponding realization of the random fundamental frequency is calculated and the prior pdf of this random fundamental frequency is then estimated. Experimental data are available for the fundamental frequency and the posterior probability density function of the random tension parameter is then estimated using the Bayes method. In addition, an application is performed considering a case with a pathology in the vocal folds. The strategy developed here is important mainly due to two things. The first one is related to the possibility of updating the probability density function of a parameter, the tension parameter of the vocal folds, which cannot be measured direct and the second one is related to the construction of the likelihood function. In general, it is predefined using the known pdf. Here, it is constructed in a new and different manner, using the own system considered.
Application of Non-Deterministic Methods to Assess Modeling Uncertainties for Reinforced Carbon-Carbon Debris Impacts

NASA Technical Reports Server (NTRS)

Lyle, Karen H.; Fasanella, Edwin L.; Melis, Matthew; Carney, Kelly; Gabrys, Jonathan

2004-01-01

The Space Shuttle Columbia Accident Investigation Board (CAIB) made several recommendations for improving the NASA Space Shuttle Program. An extensive experimental and analytical program has been developed to address two recommendations related to structural impact analysis. The objective of the present work is to demonstrate the application of probabilistic analysis to assess the effect of uncertainties on debris impacts on Space Shuttle Reinforced Carbon-Carbon (RCC) panels. The probabilistic analysis is used to identify the material modeling parameters controlling the uncertainty. A comparison of the finite element results with limited experimental data provided confidence that the simulations were adequately representing the global response of the material. Five input parameters were identified as significantly controlling the response.
Carbon dioxide stripping in aquaculture -- part III: model verification

USGS Publications Warehouse

Colt, John; Watten, Barnaby; Pfeiffer, Tim

2012-01-01

Based on conventional mass transfer models developed for oxygen, the use of the non-linear ASCE method, 2-point method, and one parameter linear-regression method were evaluated for carbon dioxide stripping data. For values of KLaCO2 < approximately 1.5/h, the 2-point or ASCE method are a good fit to experimental data, but the fit breaks down at higher values of KLaCO2. How to correct KLaCO2 for gas phase enrichment remains to be determined. The one-parameter linear regression model was used to vary the C*CO2 over the test, but it did not result in a better fit to the experimental data when compared to the ASCE or fixed C*CO2 assumptions.
Numerical optimization of Ignition and Growth reactive flow modeling for PAX2A

NASA Astrophysics Data System (ADS)

Baker, E. L.; Schimel, B.; Grantham, W. J.

1996-05-01

Variable metric nonlinear optimization has been successfully applied to the parameterization of unreacted and reacted products thermodynamic equations of state and reactive flow modeling of the HMX based high explosive PAX2A. The NLQPEB nonlinear optimization program has been recently coupled to the LLNL developed two-dimensional high rate continuum modeling programs DYNA2D and CALE. The resulting program has the ability to optimize initial modeling parameters. This new optimization capability was used to optimally parameterize the Ignition and Growth reactive flow model to experimental manganin gauge records. The optimization varied the Ignition and Growth reaction rate model parameters in order to minimize the difference between the calculated pressure histories and the experimental pressure histories.
Thermal Property Parameter Estimation of TPS Materials

NASA Technical Reports Server (NTRS)

Maddren, Jesse

1998-01-01

Accurate knowledge of the thermophysical properties of TPS (thermal protection system) materials is necessary for pre-flight design and post-flight data analysis. Thermal properties, such as thermal conductivity and the volumetric specific heat, can be estimated from transient temperature measurements using non-linear parameter estimation methods. Property values are derived by minimizing a functional of the differences between measured and calculated temperatures. High temperature thermal response testing of TPS materials is usually done in arc-jet or radiant heating facilities which provide a quasi one-dimensional heating environment. Last year, under the NASA-ASEE-Stanford Fellowship Program, my work focused on developing a radiant heating apparatus. This year, I have worked on increasing the fidelity of the experimental measurements, optimizing the experimental procedures and interpreting the data.
Optical properties of LiGaS2: an ab initio study and spectroscopic ellipsometry measurement

NASA Astrophysics Data System (ADS)

Atuchin, V. V.; Lin, Z. S.; Isaenko, L. I.; Kesler, V. G.; Kruchinin, V. N.; Lobanov, S. I.

2009-11-01

Electronic and optical properties of lithium thiogallate crystal, LiGaS2, have been investigated by both experimental and theoretical methods. The plane-wave pseudopotential method based on DFT theory has been used for band structure calculations. The electronic parameters of Ga 3d orbitals have been corrected by the DFT+U methods to be consistent with those measured with x-ray photoemission spectroscopy. Evolution of optical constants of LiGaS2 over a wide spectral range was determined by developed first-principles theory and dispersion curves were compared with optical parameters defined by spectroscopic ellipsometry in the photon energy range 1.2-5.0 eV. Good agreement has been achieved between theoretical and experimental results.
Human in vitro 3D co-culture model to engineer vascularized bone-mimicking tissues combining computational tools and statistical experimental approach.

PubMed

Bersini, Simone; Gilardi, Mara; Arrigoni, Chiara; Talò, Giuseppe; Zamai, Moreno; Zagra, Luigi; Caiolfa, Valeria; Moretti, Matteo

2016-01-01

The generation of functional, vascularized tissues is a key challenge for both tissue engineering applications and the development of advanced in vitro models analyzing interactions among circulating cells, endothelium and organ-specific microenvironments. Since vascularization is a complex process guided by multiple synergic factors, it is critical to analyze the specific role that different experimental parameters play in the generation of physiological tissues. Our goals were to design a novel meso-scale model bridging the gap between microfluidic and macro-scale studies, and high-throughput screen the effects of multiple variables on the vascularization of bone-mimicking tissues. We investigated the influence of endothelial cell (EC) density (3-5 Mcells/ml), cell ratio among ECs, mesenchymal stem cells (MSCs) and osteo-differentiated MSCs (1:1:0, 10:1:0, 10:1:1), culture medium (endothelial, endothelial + angiopoietin-1, 1:1 endothelial/osteo), hydrogel type (100%fibrin, 60%fibrin+40%collagen), tissue geometry (2 × 2 × 2, 2 × 2 × 5 mm(3)). We optimized the geometry and oxygen gradient inside hydrogels through computational simulations and we analyzed microvascular network features including total network length/area and vascular branch number/length. Particularly, we employed the "Design of Experiment" statistical approach to identify key differences among experimental conditions. We combined the generation of 3D functional tissue units with the fine control over the local microenvironment (e.g. oxygen gradients), and developed an effective strategy to enable the high-throughput screening of multiple experimental parameters. Our approach allowed to identify synergic correlations among critical parameters driving microvascular network development within a bone-mimicking environment and could be translated to any vascularized tissue. Copyright © 2015 Elsevier Ltd. All rights reserved.
Box-Behnken Design of Experiments Investigation of Hydroxyapatite Synthesis for Orthopedic Applications

NASA Astrophysics Data System (ADS)

Kehoe, S.; Stokes, J.

2011-03-01

Physicochemical properties of hydroxyapatite (HAp) synthesized by the chemical precipitation method are heavily dependent on the chosen process parameters. A Box-Behnken three-level experimental design was therefore, chosen to determine the optimum set of process parameters and their effect on various HAp characteristics. These effects were quantified using design of experiments (DoE) to develop mathematical models using the Box-Behnken design, in terms of the chemical precipitation process parameters. Findings from this research show that the HAp possessing optimum powder characteristics for orthopedic application via a thermal spray technique can therefore be prepared using the following chemical precipitation process parameters: reaction temperature 60 °C, ripening time 48 h, and stirring speed 1500 rpm using high reagent concentrations. Ripening time and stirring speed significantly affected the final phase purity for the experimental conditions of the Box-Behnken design. An increase in both the ripening time (36-48 h) and stirring speed (1200-1500 rpm) was found to result in an increase of phase purity from 47(±2)% to 85(±2)%. Crystallinity, crystallite size, lattice parameters, and mean particle size were also optimized within the research to find desired settings to achieve results suitable for FDA regulations.
Ab initio crystal structure prediction of magnesium (poly)sulfides and calculation of their NMR parameters.

PubMed

Mali, Gregor

2017-03-01

Ab initio prediction of sensible crystal structures can be regarded as a crucial task in the quickly-developing methodology of NMR crystallography. In this contribution, an evolutionary algorithm was used for the prediction of magnesium (poly)sulfide crystal structures with various compositions. The employed approach successfully identified all three experimentally detected forms of MgS, i.e. the stable rocksalt form and the metastable wurtzite and zincblende forms. Among magnesium polysulfides with a higher content of sulfur, the most probable structure with the lowest formation energy was found to be MgS 2 , exhibiting a modified rocksalt structure, in which S 2- anions were replaced by S 2 2- dianions. Magnesium polysulfides with even larger fractions of sulfur were not predicted to be stable. For the lowest-energy structures, 25 Mg quadrupolar coupling constants and chemical shift parameters were calculated using the density functional theory approach. The calculated NMR parameters could be well rationalized by the symmetries of the local magnesium environments, by the coordination of magnesium cations and by the nature of the surrounding anions. In the future, these parameters could serve as a reference for the experimentally determined 25 Mg NMR parameters of magnesium sulfide species.
A Novel Scale Up Model for Prediction of Pharmaceutical Film Coating Process Parameters.

PubMed

Suzuki, Yasuhiro; Suzuki, Tatsuya; Minami, Hidemi; Terada, Katsuhide

2016-01-01

In the pharmaceutical tablet film coating process, we clarified that a difference in exhaust air relative humidity can be used to detect differences in process parameters values, the relative humidity of exhaust air was different under different atmospheric air humidity conditions even though all setting values of the manufacturing process parameters were the same, and the water content of tablets was correlated with the exhaust air relative humidity. Based on this experimental data, the exhaust air relative humidity index (EHI), which is an empirical equation that includes as functional parameters the pan coater type, heated air flow rate, spray rate of coating suspension, saturated water vapor pressure at heated air temperature, and partial water vapor pressure at atmospheric air pressure, was developed. The predictive values of exhaust relative humidity using EHI were in good correlation with the experimental data (correlation coefficient of 0.966) in all datasets. EHI was verified using the date of seven different drug products of different manufacturing scales. The EHI model will support formulation researchers by enabling them to set film coating process parameters when the batch size or pan coater type changes, and without the time and expense of further extensive testing.
Suits reflectance models for wheat and cotton - Theoretical and experimental tests

NASA Technical Reports Server (NTRS)

Chance, J. E.; Lemaster, E. W.

1977-01-01

Plant canopy reflectance models developed by Suits are tested for cotton and Penjamo winter wheat. Properties of the models are discussed, and the concept of model depth is developed. The models' predicted exchange symmetry for specular irradiance with respect to sun polar angle and observer polar angle agreed with field data for cotton and wheat. Model calculations and experimental data for wheat reflectance vs sun angle disagreed. Specular reflectance from 0.50 to 1.10 micron shows fair agreement between the model and wheat measurements. An Appendix includes the physical and optical parameters for wheat necessary to apply Suits' models.
Experimental verification of a GPC-LPV method with RLS and P1-TS fuzzy-based estimation for limiting the transient and residual vibration of a crane system

NASA Astrophysics Data System (ADS)

Smoczek, Jaroslaw

2015-10-01

The paper deals with the problem of reducing the residual vibration and limiting the transient oscillations of a flexible and underactuated system with respect to the variation of operating conditions. The comparative study of generalized predictive control (GPC) and fuzzy scheduling scheme developed based on the P1-TS fuzzy theory, local pole placement method and interval analysis of closed-loop system polynomial coefficients is addressed to the problem of flexible crane control. The two alternatives of a GPC-based method are proposed that enable to realize this technique either with or without a sensor of payload deflection. The first control technique is based on the recursive least squares (RLS) method applied to on-line estimate the parameters of a linear parameter varying (LPV) model of a crane dynamic system. The second GPC-based approach is based on a payload deflection feedback estimated using a pendulum model with the parameters interpolated using the P1-TS fuzzy system. Feasibility and applicability of the developed methods were confirmed through experimental verification performed on a laboratory scaled overhead crane.

Experimental study and simulation of space charge stimulated discharge

NASA Astrophysics Data System (ADS)

Noskov, M. D.; Malinovski, A. S.; Cooke, C. M.; Wright, K. A.; Schwab, A. J.

2002-11-01

The electrical discharge of volume distributed space charge in poly(methylmethacrylate) (PMMA) has been investigated both experimentally and by computer simulation. The experimental space charge was implanted in dielectric samples by exposure to a monoenergetic electron beam of 3 MeV. Electrical breakdown through the implanted space charge region within the sample was initiated by a local electric field enhancement applied to the sample surface. A stochastic-deterministic dynamic model for electrical discharge was developed and used in a computer simulation of these breakdowns. The model employs stochastic rules to describe the physical growth of the discharge channels, and deterministic laws to describe the electric field, the charge, and energy dynamics within the discharge channels and the dielectric. Simulated spatial-temporal and current characteristics of the expanding discharge structure during physical growth are quantitatively compared with the experimental data to confirm the discharge model. It was found that a single fixed set of physically based dielectric parameter values was adequate to simulate the complete family of experimental space charge discharges in PMMA. It is proposed that such a set of parameters also provides a useful means to quantify the breakdown properties of other dielectrics.
Synthesis, crystal structures and spectroscopic properties of triazine-based hydrazone derivatives; a comparative experimental-theoretical study.

PubMed

Arshad, Muhammad Nadeem; Bibi, Aisha; Mahmood, Tariq; Asiri, Abdullah M; Ayub, Khurshid

2015-04-03

We report here a comparative theoretical and experimental study of four triazine-based hydrazone derivatives. The hydrazones are synthesized by a three step process from commercially available benzil and thiosemicarbazide. The structures of all compounds were determined by using the UV-Vis., FT-IR, NMR (1H and 13C) spectroscopic techniques and finally confirmed unequivocally by single crystal X-ray diffraction analysis. Experimental geometric parameters and spectroscopic properties of the triazine based hydrazones are compared with those obtained from density functional theory (DFT) studies. The model developed here comprises of geometry optimization at B3LYP/6-31G (d, p) level of DFT. Optimized geometric parameters of all four compounds showed excellent correlations with the results obtained from X-ray diffraction studies. The vibrational spectra show nice correlations with the experimental IR spectra. Moreover, the simulated absorption spectra also agree well with experimental results (within 10-20 nm). The molecular electrostatic potential (MEP) mapped over the entire stabilized geometries of the compounds indicated their chemical reactivates. Furthermore, frontier molecular orbital (electronic properties) and first hyperpolarizability (nonlinear optical response) were also computed at the B3LYP/6-31G (d, p) level of theory.
Development of Experimental Setup of Metal Rapid Prototyping Machine using Selective Laser Sintering Technique

NASA Astrophysics Data System (ADS)

Patil, S. N.; Mulay, A. V.; Ahuja, B. B.

2018-04-01

Unlike in the traditional manufacturing processes, additive manufacturing as rapid prototyping, allows designers to produce parts that were previously considered too complex to make economically. The shift is taking place from plastic prototype to fully functional metallic parts by direct deposition of metallic powders as produced parts can be directly used for desired purpose. This work is directed towards the development of experimental setup of metal rapid prototyping machine using selective laser sintering and studies the various parameters, which plays important role in the metal rapid prototyping using SLS technique. The machine structure in mainly divided into three main categories namely, (1) Z-movement of bed and table, (2) X-Y movement arrangement for LASER movements and (3) feeder mechanism. Z-movement of bed is controlled by using lead screw, bevel gear pair and stepper motor, which will maintain the accuracy of layer thickness. X-Y movements are controlled using timing belt and stepper motors for precise movements of LASER source. Feeder mechanism is then developed to control uniformity of layer thickness metal powder. Simultaneously, the study is carried out for selection of material. Various types of metal powders can be used for metal RP as Single metal powder, mixture of two metals powder, and combination of metal and polymer powder. Conclusion leads to use of mixture of two metals powder to minimize the problems such as, balling effect and porosity. Developed System can be validated by conducting various experiments on manufactured part to check mechanical and metallurgical properties. After studying the results of these experiments, various process parameters as LASER properties (as power, speed etc.), and material properties (as grain size and structure etc.) will be optimized. This work is mainly focused on the design and development of cost effective experimental setup of metal rapid prototyping using SLS technique which will gives the feel of metal rapid prototyping process and its important parameters.
Feasibility and effects of newly developed balance control trainer for mobility and balance in chronic stroke patients: a randomized controlled trial.

PubMed

Lee, So Hyun; Byun, Seung Deuk; Kim, Chul Hyun; Go, Jin Young; Nam, Hyeon Uk; Huh, Jin Seok; Jung, Tae Du

2012-08-01

To investigate the feasibility and effects of balance training with a newly developed Balance Control Trainer (BCT) that applied the concept of vertical movement for the improvements of mobility and balance in chronic stroke patients. Forty chronic stroke patients were randomly assigned to an experimental or a control group. The experimental group (n=20) underwent training with a BCT for 20 minutes a day, 5 days a week for 4 weeks, in addition to concurrent conventional physical therapy. The control group (n=20) underwent only conventional therapy for 4 weeks. All participants were assessed by: the Functional Ambulation Categories (FAC), 10-meter Walking Test (10mWT), Timed Up and Go test (TUG), Berg Balance Scale (BBS), Korean Modified Barthel Index (MBI), and Manual Muscle Test (MMT) before training, and at 2 and 4 weeks of training. There were statistically significant improvements in all parameters except knee extensor power at 2 weeks of treatment, and in all parameters except MBI which showed further statistically significant progress in the experimental group over the next two weeks (p<0.05). Statistically significant improvements on all measurements were observed in the experimental group after 4 weeks total. Comparing the two groups at 2 and 4 weeks of training respectively, 10mWT, TUG, and BBS showed statistically more significant improvements in the experimental group (p<0.05). Balance training with a newly developed BCT is feasible and may be an effective tool to improve balance and gait in ambulatory chronic stroke patients. Furthermore, it may provide additional benefits when used in conjunction with conventional therapies.
Thermodynamic criteria for estimating the kinetic parameters of catalytic reactions

NASA Astrophysics Data System (ADS)

Mitrichev, I. I.; Zhensa, A. V.; Kol'tsova, E. M.

2017-01-01

Kinetic parameters are estimated using two criteria in addition to the traditional criterion that considers the consistency between experimental and modeled conversion data: thermodynamic consistency and the consistency with entropy production (i.e., the absolute rate of the change in entropy due to exchange with the environment is consistent with the rate of entropy production in the steady state). A special procedure is developed and executed on a computer to achieve the thermodynamic consistency of a set of kinetic parameters with respect to both the standard entropy of a reaction and the standard enthalpy of a reaction. A problem of multi-criterion optimization, reduced to a single-criterion problem by summing weighted values of the three criteria listed above, is solved. Using the reaction of NO reduction with CO on a platinum catalyst as an example, it is shown that the set of parameters proposed by D.B. Mantri and P. Aghalayam gives much worse agreement with experimental values than the set obtained on the basis of three criteria: the sum of the squares of deviations for conversion, the thermodynamic consistency, and the consistency with entropy production.
A Review of the Experimental and Modeling Development of a Water Phase Change Heat Exchanger for Future Exploration Support Vehicles

NASA Technical Reports Server (NTRS)

Cognata, Thomas; Leimkuehler, Thomas; Ramaswamy, Balasubramaniam; Nayagam, Vedha; Hasan, Mohammad; Stephan, Ryan

2011-01-01

Water affords manifold benefits for human space exploration. Its properties make it useful for the storage of thermal energy as a Phase Change Material (PCM) in thermal control systems, in radiation shielding against Solar Particle Events (SPE) for the protection of crew members, and it is indisputably necessary for human life support. This paper envisions a single application for water which addresses these benefits for future exploration support vehicles and it describes recent experimental and modeling work that has been performed in order to arrive at a description of the thermal behavior of such a system. Experimental units have been developed and tested which permit the evaluation of the many parameters of design for such a system with emphasis on the latent energy content, temperature rise, mass, and interstitial material geometry. The experimental results are used to develop a robust and well correlated model which is intended to guide future design efforts toward the multi-purposed water PCM heat exchanger envisioned.
Development of a modified independent parallel reactions kinetic model and comparison with the distributed activation energy model for the pyrolysis of a wide variety of biomass fuels.

PubMed

Sfakiotakis, Stelios; Vamvuka, Despina

2015-12-01

The pyrolysis of six waste biomass samples was studied and the fuels were kinetically evaluated. A modified independent parallel reactions scheme (IPR) and a distributed activation energy model (DAEM) were developed and their validity was assessed and compared by checking their accuracy of fitting the experimental results, as well as their prediction capability in different experimental conditions. The pyrolysis experiments were carried out in a thermogravimetric analyzer and a fitting procedure, based on least squares minimization, was performed simultaneously at different experimental conditions. A modification of the IPR model, considering dependence of the pre-exponential factor on heating rate, was proved to give better fit results for the same number of tuned kinetic parameters, comparing to the known IPR model and very good prediction results for stepwise experiments. Fit of calculated data to the experimental ones using the developed DAEM model was also proved to be very good. Copyright © 2015 Elsevier Ltd. All rights reserved.
High Performance Input/Output for Parallel Computer Systems

NASA Technical Reports Server (NTRS)

Ligon, W. B.

1996-01-01

The goal of our project is to study the I/O characteristics of parallel applications used in Earth Science data processing systems such as Regional Data Centers (RDCs) or EOSDIS. Our approach is to study the runtime behavior of typical programs and the effect of key parameters of the I/O subsystem both under simulation and with direct experimentation on parallel systems. Our three year activity has focused on two items: developing a test bed that facilitates experimentation with parallel I/O, and studying representative programs from the Earth science data processing application domain. The Parallel Virtual File System (PVFS) has been developed for use on a number of platforms including the Tiger Parallel Architecture Workbench (TPAW) simulator, The Intel Paragon, a cluster of DEC Alpha workstations, and the Beowulf system (at CESDIS). PVFS provides considerable flexibility in configuring I/O in a UNIX- like environment. Access to key performance parameters facilitates experimentation. We have studied several key applications fiom levels 1,2 and 3 of the typical RDC processing scenario including instrument calibration and navigation, image classification, and numerical modeling codes. We have also considered large-scale scientific database codes used to organize image data.
Local versus field scale soil heterogeneity characterization - a challenge for representative sampling in pollution studies

NASA Astrophysics Data System (ADS)

Kardanpour, Z.; Jacobsen, O. S.; Esbensen, K. H.

2015-06-01

This study is a contribution to development of a heterogeneity characterisation facility for "next generation" sampling aimed at more realistic and controllable pesticide variability in laboratory pots in experimental environmental contaminant assessment. The role of soil heterogeneity on quantification of a set of exemplar parameters, organic matter, loss on ignition (LOI), biomass, soil microbiology, MCPA sorption and mineralization is described, including a brief background on how heterogeneity affects sampling/monitoring procedures in environmental pollutant studies. The Theory of Sampling (TOS) and variographic analysis has been applied to develop a fit-for-purpose heterogeneity characterization approach. All parameters were assessed in large-scale profile (1-100 m) vs. small-scale (0.1-1 m) replication sampling pattern. Variographic profiles of experimental analytical results concludes that it is essential to sample at locations with less than a 2.5 m distance interval to benefit from spatial auto-correlation and thereby avoid unnecessary, inflated compositional variation in experimental pots; this range is an inherent characteristic of the soil heterogeneity and will differ among soils types. This study has a significant carrying-over potential for related research areas e.g. soil science, contamination studies, and environmental monitoring and environmental chemistry.
Development of Fine-Grained, Low-Carbon Bainitic Steels with High Strength and Toughness Produced Through the Conventional Hot-Rolling and Air-Cooling

NASA Astrophysics Data System (ADS)

Dhua, Sanjay Kumar; Sarkar, Partha Pratim; Saxena, Atul; Jha, Bimal Kumar

2016-12-01

Low-carbon bainitic steels have created enormous interest among scientists across the world in the past few decades because of their high strength, toughness, and weldability replacing the conventional quenched and tempered medium-carbon steels. Three experimental steels with varying alloy additions were made in a 100-kg laboratory induction furnace and cast into 100-mm-diameter cylindrical ingots. These ingots were hot-rolled and air-cooled to 6-mm plates in an experimental rolling mill with selected thermomechanical parameters. Steels processed through this process provided an ultrafine low-carbon bainitic microstructure with maximum yield strength (YS) and ultimate tensile strength (UTS) 575 and 705 MPa, respectively. The Charpy impact toughness of the experimental steels was excellent, and at 253 K (-20 °C), it varied from 114 to 170 Joules. Cu-B-added steel was found to give an optimum combination of strength, YS-575 MPa, and toughness, 114 J at 253 K (-20 °C). Thus, fine-grained, low-carbon bainitic steels could be developed with a proper combination of alloying elements and thermomechanical parameters even by air-cooling.
Development of quantitative radioactive methodologies on paper to determine important lateral-flow immunoassay parameters.

PubMed

Mosley, Garrett L; Nguyen, Phuong; Wu, Benjamin M; Kamei, Daniel T

2016-08-07

The lateral-flow immunoassay (LFA) is a well-established diagnostic technology that has recently seen significant advancements due in part to the rapidly expanding fields of paper diagnostics and paper-fluidics. As LFA-based diagnostics become more complex, it becomes increasingly important to quantitatively determine important parameters during the design and evaluation process. However, current experimental methods for determining these parameters have certain limitations when applied to LFA systems. In this work, we describe our novel methods of combining paper and radioactive measurements to determine nanoprobe molarity, the number of antibodies per nanoprobe, and the forward and reverse rate constants for nanoprobe binding to immobilized target on the LFA test line. Using a model LFA system that detects for the presence of the protein transferrin (Tf), we demonstrate the application of our methods, which involve quantitative experimentation and mathematical modeling. We also compare the results of our rate constant experiments with traditional experiments to demonstrate how our methods more appropriately capture the influence of the LFA environment on the binding interaction. Our novel experimental approaches can therefore more efficiently guide the research process for LFA design, leading to more rapid advancement of the field of paper-based diagnostics.
Revised Parameters for the AMOEBA Polarizable Atomic Multipole Water Model.

PubMed

Laury, Marie L; Wang, Lee-Ping; Pande, Vijay S; Head-Gordon, Teresa; Ponder, Jay W

2015-07-23

A set of improved parameters for the AMOEBA polarizable atomic multipole water model is developed. An automated procedure, ForceBalance, is used to adjust model parameters to enforce agreement with ab initio-derived results for water clusters and experimental data for a variety of liquid phase properties across a broad temperature range. The values reported here for the new AMOEBA14 water model represent a substantial improvement over the previous AMOEBA03 model. The AMOEBA14 model accurately predicts the temperature of maximum density and qualitatively matches the experimental density curve across temperatures from 249 to 373 K. Excellent agreement is observed for the AMOEBA14 model in comparison to experimental properties as a function of temperature, including the second virial coefficient, enthalpy of vaporization, isothermal compressibility, thermal expansion coefficient, and dielectric constant. The viscosity, self-diffusion constant, and surface tension are also well reproduced. In comparison to high-level ab initio results for clusters of 2-20 water molecules, the AMOEBA14 model yields results similar to AMOEBA03 and the direct polarization iAMOEBA models. With advances in computing power, calibration data, and optimization techniques, we recommend the use of the AMOEBA14 water model for future studies employing a polarizable water model.
Production of large-particle-size monodisperse latexes

NASA Technical Reports Server (NTRS)

Vanderhoff, J. W.; El-Aasser, M. L.; Micale, F. J.; Sudol, E. D.; Tseng, C. M.; Silwanowicz, A.

1984-01-01

The research program achieved two objectives: (1) it has refined and extended the experimental techniques for preparing monodisperse latexes in quantity on the ground up to a particle diameter of 10 microns; and (2) it has demonstrated that a microgravity environment can be used to grow monodisperse latexes to larger sizes, where the limitations in size have yet to be defined. The experimental development of the monodisperse latex reactor (MLR) and the seeded emulsion polymerizations carried out in the laboratory prototype of the flight hardware, as a function of the operational parameters is discussed. The emphasis is directed towards the measurement, interpretation, and modeling of the kinetics of seeded emulsion polymerization and successive seeded emulsion polymerization. The recipe development of seeded emulsion polymerization as a function of particle size is discussed. The equilibrium swelling of latex particles with monomers was investigated both theoretically and experimentally. Extensive studies are reported on both the type and concentration of initiators, surfactants, and inhibitors, which eventually led to the development of the flight recipes. The experimental results of the flight experiments are discussed, as well as the experimental development of inhibition of seeded emulsion polymerization in terms of time of inhibition and the effect of inhibitors on the kinetics of polymerization.
Alpha-Particle Gas-Pressure Sensor

NASA Technical Reports Server (NTRS)

Buehler, M. C.; Bell, L. D.; Hecht, M. H.

1996-01-01

An approximate model was developed to establish design curves for the saturation region and a more complete model developed to characterize the current-voltage curves for an alpha-particle pressure sensor. A simple two-parameter current-voltage expression was developed to describe the dependence of the ion current on pressure. The parameters are the saturation-current pressure coefficient and mu/D, the ion mobility/diffusion coefficient. The sensor is useful in the pressure range between 0.1 and 1000 mb using a 1 - mu Ci(241) Am source. Experimental results, taken between 1 and up to 200 mb, show the sensor operates with an anode voltage of 5 V and a sensitivity of 20 fA/mb in nitrogen.
The combined theoretical and experimental approach to arrive at optimum parameters in friction stir welding

NASA Astrophysics Data System (ADS)

Jagadeesha, C. B.

2017-12-01

Even though friction stir welding was invented long back (1991) by TWI England, till now there has no method or procedure or approach developed, which helps to obtain quickly optimum or exact parameters yielding good or sound weld. An approach has developed in which an equation has been derived, by which approximate rpm can be obtained and by setting range of rpm ±100 or 50 rpm over approximate rpm and by setting welding speed equal to 60 mm/min or 50 mm/min one can conduct FSW experiment to reach optimum parameters; one can reach quickly to optimum parameters, i.e. desired rpm, and welding speed, which yield sound weld by the approach. This approach can be effectively used to obtain sound welds for all similar and dissimilar combinations of materials such as Steel, Al, Mg, Ti, etc.
Application of Novel Lateral Tire Force Sensors to Vehicle Parameter Estimation of Electric Vehicles

PubMed Central

Nam, Kanghyun

2015-01-01

This article presents methods for estimating lateral vehicle velocity and tire cornering stiffness, which are key parameters in vehicle dynamics control, using lateral tire force measurements. Lateral tire forces acting on each tire are directly measured by load-sensing hub bearings that were invented and further developed by NSK Ltd. For estimating the lateral vehicle velocity, tire force models considering lateral load transfer effects are used, and a recursive least square algorithm is adapted to identify the lateral vehicle velocity as an unknown parameter. Using the estimated lateral vehicle velocity, tire cornering stiffness, which is an important tire parameter dominating the vehicle’s cornering responses, is estimated. For the practical implementation, the cornering stiffness estimation algorithm based on a simple bicycle model is developed and discussed. Finally, proposed estimation algorithms were evaluated using experimental test data. PMID:26569246
Link between alginate reaction front propagation and general reaction diffusion theory.

PubMed

Braschler, Thomas; Valero, Ana; Colella, Ludovica; Pataky, Kristopher; Brugger, Jürgen; Renaud, Philippe

2011-03-15

We provide a common theoretical framework reuniting specific models for the Ca(2+)-alginate system and general reaction diffusion theory along with experimental validation on a microfluidic chip. As a starting point, we use a set of nonlinear, partial differential equations that are traditionally solved numerically: the Mikkelsen-Elgsaeter model. Applying the traveling-wave hypothesis as a major simplification, we obtain an analytical solution. The solution indicates that the fundamental properties of the alginate reaction front are governed by a single dimensionless parameter λ. For small λ values, a large depletion zone accompanies the reaction front. For large λ values, the alginate reacts before having the time to diffuse significantly. We show that the λ parameter is of general importance beyond the alginate model system, as it can be used to classify known solutions for second-order reaction diffusion schemes, along with the novel solution presented here. For experimental validation, we develop a microchip model system, in which the alginate gel formation can be carried out in a highly controlled, essentially 1D environment. The use of a filter barrier enables us to rapidly renew the CaCl(2) solution, while maintaining flow speeds lower than 1 μm/s for the alginate compartment. This allows one to impose an exactly known bulk CaCl(2) concentration and diffusion resistance. This experimental model system, taken together with the theoretical development, enables the determination of the entire set of physicochemical parameters governing the alginate reaction front in a single experiment.
State, Parameter, and Unknown Input Estimation Problems in Active Automotive Safety Applications

NASA Astrophysics Data System (ADS)

Phanomchoeng, Gridsada

A variety of driver assistance systems such as traction control, electronic stability control (ESC), rollover prevention and lane departure avoidance systems are being developed by automotive manufacturers to reduce driver burden, partially automate normal driving operations, and reduce accidents. The effectiveness of these driver assistance systems can be significant enhanced if the real-time values of several vehicle parameters and state variables, namely tire-road friction coefficient, slip angle, roll angle, and rollover index, can be known. Since there are no inexpensive sensors available to measure these variables, it is necessary to estimate them. However, due to the significant nonlinear dynamics in a vehicle, due to unknown and changing plant parameters, and due to the presence of unknown input disturbances, the design of estimation algorithms for this application is challenging. This dissertation develops a new approach to observer design for nonlinear systems in which the nonlinearity has a globally (or locally) bounded Jacobian. The developed approach utilizes a modified version of the mean value theorem to express the nonlinearity in the estimation error dynamics as a convex combination of known matrices with time varying coefficients. The observer gains are then obtained by solving linear matrix inequalities (LMIs). A number of illustrative examples are presented to show that the developed approach is less conservative and more useful than the standard Lipschitz assumption based nonlinear observer. The developed nonlinear observer is utilized for estimation of slip angle, longitudinal vehicle velocity, and vehicle roll angle. In order to predict and prevent vehicle rollovers in tripped situations, it is necessary to estimate the vertical tire forces in the presence of unknown road disturbance inputs. An approach to estimate unknown disturbance inputs in nonlinear systems using dynamic model inversion and a modified version of the mean value theorem is presented. The developed theory is used to estimate vertical tire forces and predict tripped rollovers in situations involving road bumps, potholes, and lateral unknown force inputs. To estimate the tire-road friction coefficients at each individual tire of the vehicle, algorithms to estimate longitudinal forces and slip ratios at each tire are proposed. Subsequently, tire-road friction coefficients are obtained using recursive least squares parameter estimators that exploit the relationship between longitudinal force and slip ratio at each tire. The developed approaches are evaluated through simulations with industry standard software, CARSIM, with experimental tests on a Volvo XC90 sport utility vehicle and with experimental tests on a 1/8th scaled vehicle. The simulation and experimental results show that the developed approaches can reliably estimate the vehicle parameters and state variables needed for effective ESC and rollover prevention applications.
Multi Resolution In-Situ Testing and Multiscale Simulation for Creep Fatigue Damage Analysis of Alloy 617

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

Liu, Yongming; Oskay, Caglar

This report outlines the research activities that were carried out for the integrated experimental and simulation investigation of creep-fatigue damage mechanism and life prediction of Nickel-based alloy, Inconel 617 at high temperatures (950° and 850°). First, a novel experimental design using a hybrid control technique is proposed. The newly developed experimental technique can generate different combinations of creep and fatigue damage by changing the experimental design parameters. Next, detailed imaging analysis and statistical data analysis are performed to quantify the failure mechanisms of the creep fatigue of alloy 617 at high temperatures. It is observed that the creep damage ismore » directly associated with the internal voids at the grain boundaries and the fatigue damage is directly related to the surface cracking. It is also observed that the classical time fraction approach does not has a good correlation with the experimental observed damage features. An effective time fraction parameter is seen to have an excellent correlation with the material microstructural damage. Thus, a new empirical damage interaction diagram is proposed based on the experimental observations. Following this, a macro level viscoplastic model coupled with damage is developed to simulate the stress/strain response under creep fatigue loadings. A damage rate function based on the hysteresis energy and creep energy is proposed to capture the softening behavior of the material and a good correlation with life prediction and material hysteresis behavior is observed. The simulation work is extended to include the microstructural heterogeneity. A crystal plasticity finite element model considering isothermal and large deformation conditions at the microstructural scale has been developed for fatigue, creep-fatigue as well as creep deformation and rupture at high temperature. The model considers collective dislocation glide and climb of the grains and progressive damage accumulation of the grain boundaries. The glide model incorporates a slip resistance evolution model that characterizes the solute-drag creep effects and can capture well the stress-strain and stress time response of fatigue and creep-fatigue tests at various strain ranges and hold times. In order to accurately capture the creep strains that accumulate particularly at relatively low stress levels, a dislocation climb model has been incorporated into the crystal plasticity modeling framework. The dislocation climb model parameters are calibrated and verified through experimental creep tests performed at 950°. In addition, a cohesive zone model has been fully implemented in the context of the crystal plasticity finite element model to capture the intergranular creep damage. The parameters of the cohesive zone model have been calibrated using available experimental data. The numerical simulations illustrate the capability of the proposed model in capturing damage initiation and growth under creep loads as compared to the experimental observations. The microscale analysis sheds light on the crack initiation sites and propagation patterns within the microstructure. The model is also utilized to investigate the hybrid-controlled creep-fatigue tests and has been found to capture reasonably well the stress-strain response with different hold times and hold stress magnitudes.« less
Equipment for the Production of Wood-Polymeric Thermal Insulation Materials

NASA Astrophysics Data System (ADS)

Saldaev, Vladimir A.; Prosvirnikov, Dmitry B.; Stepanov, Vladislav V.; Sadrtdinov, Almaz R.; Kapustin, Alexey N.

2016-08-01

This article presents developed pilot-plant equipment for slabby patterns of wood- filled polyurethane foam insulation material and its specifications are presented. Based on the results of experimental studies of pilot models the allowable range of equipment's technological parameters was defined.

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

NASA Astrophysics Data System (ADS)

Brown, Alexander; Eviston, Connor

2017-02-01

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

Seapan, M.; Crynes, B.L.; Dale, S.

The objectives of this study were to analyze alternate crudes kinetic hydrotreatment data in the literature, develop a mathematical model for interpretation of these data, develop an experimental procedure and apparatus to collect accurate kinetic data, and finally, to combine the model and experimental data to develop a general model which, with a few experimental parameters, could be used in design of future hydrotreatment processes. These objectives were to cover a four year program (1980 to 1984) and were subjective to sufficient funding. Only partial funding has been available thus far to cover activities for two years. A hydrotreatment datamore » base is developed which contains over 2000 citations, stored in a microcomputer. About 50% of these are reviewed, classified and can be identified by feedstock, catalyst, reactor type and other process characteristics. Tests of published hydrodesulfurization data indicate the problems with simple n-th order, global kinetic models, and point to the value of developing intrinsic reaction kinetic models to describe the reaction processes. A Langmuir-Hinshelwood kinetic model coupled with a plug flow reactor design equation has been developed and used for published data evaluation. An experimental system and procedure have been designed and constructed, which can be used for kinetic studies. 30 references, 4 tables.« less
Online quantitative analysis of multispectral images of human body tissues

NASA Astrophysics Data System (ADS)

Lisenko, S. A.

2013-08-01

A method is developed for online monitoring of structural and morphological parameters of biological tissues (haemoglobin concentration, degree of blood oxygenation, average diameter of capillaries and the parameter characterising the average size of tissue scatterers), which involves multispectral tissue imaging, image normalisation to one of its spectral layers and determination of unknown parameters based on their stable regression relation with the spectral characteristics of the normalised image. Regression is obtained by simulating numerically the diffuse reflectance spectrum of the tissue by the Monte Carlo method at a wide variation of model parameters. The correctness of the model calculations is confirmed by the good agreement with the experimental data. The error of the method is estimated under conditions of general variability of structural and morphological parameters of the tissue. The method developed is compared with the traditional methods of interpretation of multispectral images of biological tissues, based on the solution of the inverse problem for each pixel of the image in the approximation of different analytical models.
Determining Kinetic Parameters for Isothermal Crystallization of Glasses

NASA Technical Reports Server (NTRS)

Ray, C. S.; Zhang, T.; Reis, S. T.; Brow, R. K.

2006-01-01

Non-isothermal crystallization techniques are frequently used to determine the kinetic parameters for crystallization in glasses. These techniques are experimentally simple and quick compared to the isothermal techniques. However, the analytical models used for non-isothermal data analysis, originally developed for describing isothermal transformation kinetics, are fundamentally flawed. The present paper describes a technique for determining the kinetic parameters for isothermal crystallization in glasses, which eliminates most of the common problems that generally make the studies of isothermal crystallization laborious and time consuming. In this technique, the volume fraction of glass that is crystallized as a function of time during an isothermal hold was determined using differential thermal analysis (DTA). The crystallization parameters for the lithium-disilicate (Li2O.2SiO2) model glass were first determined and compared to the same parameters determined by other techniques to establish the accuracy and usefulness of the present technique. This technique was then used to describe the crystallization kinetics of a complex Ca-Sr-Zn-silicate glass developed for sealing solid oxide fuel cells.
Development of analysis technique to predict the material behavior of blowing agent

NASA Astrophysics Data System (ADS)

Hwang, Ji Hoon; Lee, Seonggi; Hwang, So Young; Kim, Naksoo

2014-11-01

In order to numerically simulate the foaming behavior of mastic sealer containing the blowing agent, a foaming and driving force model are needed which incorporate the foaming characteristics. Also, the elastic stress model is required to represent the material behavior of co-existing phase of liquid state and the cured polymer. It is important to determine the thermal properties such as thermal conductivity and specific heat because foaming behavior is heavily influenced by temperature change. In this study, three models are proposed to explain the foaming process and material behavior during and after the process. To obtain the material parameters in each model, following experiments and the numerical simulations are performed: thermal test, simple shear test and foaming test. The error functions are defined as differences between the experimental measurements and the numerical simulation results, and then the parameters are determined by minimizing the error functions. To ensure the validity of the obtained parameters, the confirmation simulation for each model is conducted by applying the determined parameters. The cross-verification is performed by measuring the foaming/shrinkage force. The results of cross-verification tended to follow the experimental results. Interestingly, it was possible to estimate the micro-deformation occurring in automobile roof surface by applying the proposed model to oven process analysis. The application of developed analysis technique will contribute to the design with minimized micro-deformation.
An Embedded Sensory System for Worker Safety: Prototype Development and Evaluation

PubMed Central

Cho, Chunhee; Park, JeeWoong

2018-01-01

At a construction site, workers mainly rely on two senses, which are sight and sound, in order to perceive their physical surroundings. However, they are often hindered by the nature of most construction sites, which are usually dynamic, loud, and complicated. To overcome these challenges, this research explored a method using an embedded sensory system that might offer construction workers an artificial sensing ability to better perceive their surroundings. This study identified three parameters (i.e., intensity, signal length, and delay between consecutive pulses) needed for tactile-based signals for the construction workers to communicate quickly. We developed a prototype system based on these parameters, conducted experimental studies to quantify and validate the sensitivity of the parameters for quick communication, and analyzed test data to reveal what was added by this method in order to perceive information from the tactile signals. The findings disclosed that the parameters of tactile-based signals and their distinguishable ranges could be perceived in a short amount of time (i.e., a fraction of a second). Further experimentation demonstrated the capability of the identified unit signals combined with a signal mapping technique to effectively deliver simple information to individuals and offer an additional sense of awareness to the surroundings. The findings of this study could serve as a basis for future research in exploring advanced tactile-based messages to overcome challenges in environments for which communication is a struggle. PMID:29662008
An Embedded Sensory System for Worker Safety: Prototype Development and Evaluation.

PubMed

Cho, Chunhee; Park, JeeWoong

2018-04-14

At a construction site, workers mainly rely on two senses, which are sight and sound, in order to perceive their physical surroundings. However, they are often hindered by the nature of most construction sites, which are usually dynamic, loud, and complicated. To overcome these challenges, this research explored a method using an embedded sensory system that might offer construction workers an artificial sensing ability to better perceive their surroundings. This study identified three parameters (i.e., intensity, signal length, and delay between consecutive pulses) needed for tactile-based signals for the construction workers to communicate quickly. We developed a prototype system based on these parameters, conducted experimental studies to quantify and validate the sensitivity of the parameters for quick communication, and analyzed test data to reveal what was added by this method in order to perceive information from the tactile signals. The findings disclosed that the parameters of tactile-based signals and their distinguishable ranges could be perceived in a short amount of time (i.e., a fraction of a second). Further experimentation demonstrated the capability of the identified unit signals combined with a signal mapping technique to effectively deliver simple information to individuals and offer an additional sense of awareness to the surroundings. The findings of this study could serve as a basis for future research in exploring advanced tactile-based messages to overcome challenges in environments for which communication is a struggle.
Scale characters analysis for gully structure in the watersheds of loess landforms based on digital elevation models

NASA Astrophysics Data System (ADS)

Zhu, Hongchun; Zhao, Yipeng; Liu, Haiying

2018-04-01

Scale is the basic attribute for expressing and describing spatial entity and phenomena. It offers theoretical significance in the study of gully structure information, variable characteristics of watershed morphology, and development evolution at different scales. This research selected five different areas in China's Loess Plateau as the experimental region and used DEM data at different scales as the experimental data. First, the change rule of the characteristic parameters of the data at different scales was analyzed. The watershed structure information did not change along with a change in the data scale. This condition was proven by selecting indices of gully bifurcation ratio and fractal dimension as characteristic parameters of watershed structure information. Then, the change rule of the characteristic parameters of gully structure with different analysis scales was analyzed by setting the scale sequence of analysis at the extraction gully. The gully structure of the watershed changed with variations in the analysis scale, and the change rule was obvious when the gully level changed. Finally, the change rule of the characteristic parameters of the gully structure at different areas was analyzed. The gully fractal dimension showed a significant numerical difference in different areas, whereas the variation of the gully branch ratio was small. The change rule indicated that the development degree of the gully obviously varied in different regions, but the morphological structure was basically similar.
Scale characters analysis for gully structure in the watersheds of loess landforms based on digital elevation models

NASA Astrophysics Data System (ADS)

Zhu, Hongchun; Zhao, Yipeng; Liu, Haiying

2018-06-01

Scale is the basic attribute for expressing and describing spatial entity and phenomena. It offers theoretical significance in the study of gully structure information, variable characteristics of watershed morphology, and development evolution at different scales. This research selected five different areas in China's Loess Plateau as the experimental region and used DEM data at different scales as the experimental data. First, the change rule of the characteristic parameters of the data at different scales was analyzed. The watershed structure information did not change along with a change in the data scale. This condition was proven by selecting indices of gully bifurcation ratio and fractal dimension as characteristic parameters of watershed structure information. Then, the change rule of the characteristic parameters of gully structure with different analysis scales was analyzed by setting the scale sequence of analysis at the extraction gully. The gully structure of the watershed changed with variations in the analysis scale, and the change rule was obvious when the gully level changed. Finally, the change rule of the characteristic parameters of the gully structure at different areas was analyzed. The gully fractal dimension showed a significant numerical difference in different areas, whereas the variation of the gully branch ratio was small. The change rule indicated that the development degree of the gully obviously varied in different regions, but the morphological structure was basically similar.
Drude polarizable force field for aliphatic ketones and aldehydes, and their associated acyclic carbohydrates

NASA Astrophysics Data System (ADS)

Small, Meagan C.; Aytenfisu, Asaminew H.; Lin, Fang-Yu; He, Xibing; MacKerell, Alexander D.

2017-04-01

The majority of computer simulations exploring biomolecular function employ Class I additive force fields (FF), which do not treat polarization explicitly. Accordingly, much effort has been made into developing models that go beyond the additive approximation. Development and optimization of the Drude polarizable FF has yielded parameters for selected lipids, proteins, DNA and a limited number of carbohydrates. The work presented here details parametrization of aliphatic aldehydes and ketones (viz. acetaldehyde, propionaldehyde, butaryaldehyde, isobutaryaldehyde, acetone, and butanone) as well as their associated acyclic sugars ( d-allose and d-psicose). LJ parameters are optimized targeting experimental heats of vaporization and molecular volumes, while the electrostatic parameters are optimized targeting QM water interactions, dipole moments, and molecular polarizabilities. Bonded parameters are targeted to both QM and crystal survey values, with the models for ketones and aldehydes shown to be in good agreement with QM and experimental target data. The reported heats of vaporization and molecular volumes represent a compromise between the studied model compounds. Simulations of the model compounds show an increase in the magnitude and the fluctuations of the dipole moments in moving from gas phase to condensed phases, which is a phenomenon that the additive FF is intrinsically unable to reproduce. The result is a polarizable model for aliphatic ketones and aldehydes including the acyclic sugars d-allose and d-psicose, thereby extending the available biomolecules in the Drude polarizable FF.
Drude polarizable force field for aliphatic ketones and aldehydes, and their associated acyclic carbohydrates.

PubMed

Small, Meagan C; Aytenfisu, Asaminew H; Lin, Fang-Yu; He, Xibing; MacKerell, Alexander D

2017-04-01

The majority of computer simulations exploring biomolecular function employ Class I additive force fields (FF), which do not treat polarization explicitly. Accordingly, much effort has been made into developing models that go beyond the additive approximation. Development and optimization of the Drude polarizable FF has yielded parameters for selected lipids, proteins, DNA and a limited number of carbohydrates. The work presented here details parametrization of aliphatic aldehydes and ketones (viz. acetaldehyde, propionaldehyde, butaryaldehyde, isobutaryaldehyde, acetone, and butanone) as well as their associated acyclic sugars (D-allose and D-psicose). LJ parameters are optimized targeting experimental heats of vaporization and molecular volumes, while the electrostatic parameters are optimized targeting QM water interactions, dipole moments, and molecular polarizabilities. Bonded parameters are targeted to both QM and crystal survey values, with the models for ketones and aldehydes shown to be in good agreement with QM and experimental target data. The reported heats of vaporization and molecular volumes represent a compromise between the studied model compounds. Simulations of the model compounds show an increase in the magnitude and the fluctuations of the dipole moments in moving from gas phase to condensed phases, which is a phenomenon that the additive FF is intrinsically unable to reproduce. The result is a polarizable model for aliphatic ketones and aldehydes including the acyclic sugars D-allose and D-psicose, thereby extending the available biomolecules in the Drude polarizable FF.
Drude Polarizable Force Field for Aliphatic Ketones and Aldehydes, and their Associated Acyclic Carbohydrates

PubMed Central

Small, Meagan C.; Aytenfisu, Asaminew H.; Lin, Fang-Yu; He, Xibing; MacKerell, Alexander D.

2017-01-01

The majority of computer simulations exploring biomolecular function employ Class I additive force fields (FF), which do not treat polarization explicitly. Accordingly, much effort has been made into developing models that go beyond the additive approximation. Development and optimization of the Drude polarizable FF has yielded parameters for selected lipids, proteins, DNA and a limited number of carbohydrates. The work presented here details parametrization of aliphatic aldehydes and ketones (viz. acetaldehyde, propionaldehyde, butaryaldehyde, isobutaryaldehyde, acetone, and butanone) as well as their associated acyclic sugars (D-allose and D-psicose). LJ parameters are optimized targeting experimental heats of vaporization and molecular volumes, while the electrostatic parameters are optimized targeting QM water interactions, dipole moments, and molecular polarizabilities. Bonded parameters are targeted to both QM and crystal survey values, with the models for ketones and aldehydes shown to be in good agreement with QM and experimental target data. The reported heats of vaporization and molecular volumes represent a compromise between the studied model compounds. Simulations of the model compounds show an increase in the magnitude and the fluctuations of the dipole moments in moving from gas phase to condensed phases, which is a phenomenon that the additive FF is intrinsically unable to reproduce. The result is a polarizable model for aliphatic ketones and aldehydes including the acyclic sugars D-allose and D-psicose, thereby extending the available biomolecules in the Drude polarizable FF. PMID:28190218
The implementation of non-Voigt line profiles in the HITRAN database: H2 case study

NASA Astrophysics Data System (ADS)

Wcisło, P.; Gordon, I. E.; Tran, H.; Tan, Y.; Hu, S.-M.; Campargue, A.; Kassi, S.; Romanini, D.; Hill, C.; Kochanov, R. V.; Rothman, L. S.

2016-07-01

Experimental capabilities of molecular spectroscopy and its applications nowadays require a sub-percent or even sub-per mille accuracy of the representation of the shapes of molecular transitions. This implies the necessity of using more advanced line-shape models which are characterized by many more parameters than a simple Voigt profile. It is a great challenge for modern molecular spectral databases to store and maintain the extended set of line-shape parameters as well as their temperature dependences. It is even more challenging to reliably retrieve these parameters from experimental spectra over a large range of pressures and temperatures. In this paper we address this problem starting from the case of the H2 molecule for which the non-Voigt line-shape effects are exceptionally pronounced. For this purpose we reanalyzed the experimental data reported in the literature. In particular, we performed detailed line-shape analysis of high-quality spectra obtained with cavity-enhanced techniques. We also report the first high-quality cavity-enhanced measurement of the H2 fundamental vibrational mode. We develop a correction to the Hartmann-Tran profile (HTP) which adjusts the HTP to the particular model of the velocity-changing collisions. This allows the measured spectra to be better represented over a wide range of pressures. The problem of storing the HTP parameters in the HITRAN database together with their temperature dependences is also discussed.
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.
Static and Dynamic Model Update of an Inflatable/Rigidizable Torus Structure

NASA Technical Reports Server (NTRS)

Horta, Lucas G.; Reaves, mercedes C.

2006-01-01

The present work addresses the development of an experimental and computational procedure for validating finite element models. A torus structure, part of an inflatable/rigidizable Hexapod, is used to demonstrate the approach. Because of fabrication, materials, and geometric uncertainties, a statistical approach combined with optimization is used to modify key model parameters. Static test results are used to update stiffness parameters and dynamic test results are used to update the mass distribution. Updated parameters are computed using gradient and non-gradient based optimization algorithms. Results show significant improvements in model predictions after parameters are updated. Lessons learned in the areas of test procedures, modeling approaches, and uncertainties quantification are presented.
Unsteady hovering wake parameters identified from dynamic model tests, part 1

NASA Technical Reports Server (NTRS)

Hohenemser, K. H.; Crews, S. T.

1977-01-01

The development of a 4-bladed model rotor is reported that can be excited with a simple eccentric mechanism in progressing and regressing modes with either harmonic or transient inputs. Parameter identification methods were applied to the problem of extracting parameters for linear perturbation models, including rotor dynamic inflow effects, from the measured blade flapping responses to transient pitch stirring excitations. These perturbation models were then used to predict blade flapping response to other pitch stirring transient inputs, and rotor wake and blade flapping responses to harmonic inputs. The viability and utility of using parameter identification methods for extracting the perturbation models from transients are demonstrated through these combined analytical and experimental studies.
Classification of toxicity effects of biotransformed hepatic drugs using whale optimized support vector machines.

PubMed

Tharwat, Alaa; Moemen, Yasmine S; Hassanien, Aboul Ella

2017-04-01

Measuring toxicity is an important step in drug development. Nevertheless, the current experimental methods used to estimate the drug toxicity are expensive and time-consuming, indicating that they are not suitable for large-scale evaluation of drug toxicity in the early stage of drug development. Hence, there is a high demand to develop computational models that can predict the drug toxicity risks. In this study, we used a dataset that consists of 553 drugs that biotransformed in liver. The toxic effects were calculated for the current data, namely, mutagenic, tumorigenic, irritant and reproductive effect. Each drug is represented by 31 chemical descriptors (features). The proposed model consists of three phases. In the first phase, the most discriminative subset of features is selected using rough set-based methods to reduce the classification time while improving the classification performance. In the second phase, different sampling methods such as Random Under-Sampling, Random Over-Sampling and Synthetic Minority Oversampling Technique (SMOTE), BorderLine SMOTE and Safe Level SMOTE are used to solve the problem of imbalanced dataset. In the third phase, the Support Vector Machines (SVM) classifier is used to classify an unknown drug into toxic or non-toxic. SVM parameters such as the penalty parameter and kernel parameter have a great impact on the classification accuracy of the model. In this paper, Whale Optimization Algorithm (WOA) has been proposed to optimize the parameters of SVM, so that the classification error can be reduced. The experimental results proved that the proposed model achieved high sensitivity to all toxic effects. Overall, the high sensitivity of the WOA+SVM model indicates that it could be used for the prediction of drug toxicity in the early stage of drug development. Copyright © 2017 Elsevier Inc. All rights reserved.
Polypropylene Production Optimization in Fluidized Bed Catalytic Reactor (FBCR): Statistical Modeling and Pilot Scale Experimental Validation

PubMed Central

Khan, Mohammad Jakir Hossain; Hussain, Mohd Azlan; Mujtaba, Iqbal Mohammed

2014-01-01

Propylene is one type of plastic that is widely used in our everyday life. This study focuses on the identification and justification of the optimum process parameters for polypropylene production in a novel pilot plant based fluidized bed reactor. This first-of-its-kind statistical modeling with experimental validation for the process parameters of polypropylene production was conducted by applying ANNOVA (Analysis of variance) method to Response Surface Methodology (RSM). Three important process variables i.e., reaction temperature, system pressure and hydrogen percentage were considered as the important input factors for the polypropylene production in the analysis performed. In order to examine the effect of process parameters and their interactions, the ANOVA method was utilized among a range of other statistical diagnostic tools such as the correlation between actual and predicted values, the residuals and predicted response, outlier t plot, 3D response surface and contour analysis plots. The statistical analysis showed that the proposed quadratic model had a good fit with the experimental results. At optimum conditions with temperature of 75°C, system pressure of 25 bar and hydrogen percentage of 2%, the highest polypropylene production obtained is 5.82% per pass. Hence it is concluded that the developed experimental design and proposed model can be successfully employed with over a 95% confidence level for optimum polypropylene production in a fluidized bed catalytic reactor (FBCR). PMID:28788576
A stochastic Iwan-type model for joint behavior variability modeling

NASA Astrophysics Data System (ADS)

Mignolet, Marc P.; Song, Pengchao; Wang, X. Q.

2015-08-01

This paper focuses overall on the development and validation of a stochastic model to describe the dissipation and stiffness properties of a bolted joint for which experimental data is available and exhibits a large scatter. An extension of the deterministic parallel-series Iwan model for the characterization of the force-displacement behavior of joints is first carried out. This new model involves dynamic and static coefficients of friction differing from each other and a broadly defined distribution of Jenkins elements. Its applicability is next investigated using the experimental data, i.e. stiffness and dissipation measurements obtained in harmonic testing of 9 nominally identical bolted joints. The model is found to provide a very good fit of the experimental data for each bolted joint notwithstanding the significant variability of their behavior. This finding suggests that this variability can be simulated through the randomization of only the parameters of the proposed Iwan-type model. The distribution of these parameters is next selected based on maximum entropy concepts and their corresponding parameters, i.e. the hyperparameters of the model, are identified using a maximum likelihood strategy. Proceeding with a Monte Carlo simulation of this stochastic Iwan model demonstrates that the experimental data fits well within the uncertainty band corresponding to the 5th and 95th percentiles of the model predictions which well supports the adequacy of the modeling effort.
Modelling the dynamics of polar auxin transport in inflorescence stems of Arabidopsis thaliana

PubMed Central

Boot, Kees J.M.; Hille, Sander C.; Libbenga, Kees R.; Peletier, Lambertus A.; van Spronsen, Paulina C.; van Duijn, Bert; Offringa, Remko

2016-01-01

The polar transport of the plant hormone auxin has been the subject of many studies, several involving mathematical modelling. Unfortunately, most of these models have not been experimentally verified. Here we present experimental measurements of long-distance polar auxin transport (PAT) in segments of inflorescence stems of Arabidopsis thaliana together with a descriptive mathematical model that was developed from these data. It is based on a general advection–diffusion equation for auxin density, as suggested by the chemiosmotic theory, but is extended to incorporate both immobilization of auxin and exchange with the surrounding tissue of cells involved in PAT, in order to account for crucial observations. We found that development of the present model assisted effectively in the analysis of experimental observations. As an example, we discuss the analysis of a quadruple mutant for all four AUX1/LAX1–LAX3 influx carriers genes. We found a drastic change in the parameters governing the exchange of PAT channels with the surrounding tissue, whereas the velocity was still of the order of magnitude of the wild type. In addition, the steady-state flux of auxin through the PAT system of the mutant did not exhibit a saturable component, as we found for the wild type, suggesting that the import carriers are responsible for the saturable component in the wild type. In the accompanying Supplementary data available at JXB online, we describe in more detail the data-driven development of the model, review and derive predictions from a mathematical model of the chemiosmotic theory, and explore relationships between parameters in our model and processes and parameters at the cellular level. PMID:26531101

Histological evaluation of direct pulp capping of rat pulp with experimentally developed low-viscosity adhesives containing reparative dentin-promoting agents.

PubMed

Suzuki, Masaya; Taira, Yoshihisa; Kato, Chikage; Shinkai, Koichi; Katoh, Yoshiroh

2016-01-01

This study examines the wound healing process in exposed rat pulp when capped with experimental adhesive resin systems. Experimental adhesive resin system for direct pulp capping was composed of primer-I (PI), -II (PII), and -III (PIII) and an experimental bonding agent (EBA). PI was Clearfil(®) SE Bond(®)/Primer (CSP) containing 5.0 wt% CaCl2, PII was PI containing 10 wt% nanofiller (Aerosil(®) 380), and PIII was CSP containing 5.0 wt% of compounds of equal moles of synthetic peptides (pA and pB) derived from dentin matrix protein 1. EBA was Clearfil(®) SE Bond(®)/Bond (CSB) containing 10 wt% hydroxyapatite powders. Three experimental groups were designed. PI was assigned to experimental Groups 1 and 3. PII was assigned to experimental Groups 2 and 3. PIII and EBA were assigned to all experimental adhesive groups. Control teeth were capped with calcium hydroxide preparation (Dycal(®)), and CSP and CSB were applied to the cavity. The rats were sacrificed after each observation period (14, 28, 56, and 112 days). The following parameters were evaluated: pulp tissue disorganization, inflammatory cell infiltration, reparative dentin formation (RDF), and bacterial penetration. There were no significant differences among all the groups for all parameters and all observation periods (p>0.05, Kruskal-Wallis test). All groups showed initial RDF at 14 days postoperatively and extensive RDF until 112 days postoperatively. Groups 2 and 3 demonstrated higher quantity of mineralized dentin bridge formation compared with Group 1. Addition of nanofillers to the primer was effective in promoting high-density RDF. Experimentally developed adhesive resin systems induce the exposed pulp to produce almost the same quantity of reparative dentin as calcium hydroxide. However, we need further studies to elucidate whether the same results could be obtained in humans. Copyright © 2015 Elsevier Ltd. All rights reserved.
Open web system of Virtual labs for nuclear and applied physics

NASA Astrophysics Data System (ADS)

Saldikov, I. S.; Afanasyev, V. V.; Petrov, V. I.; Ternovykh, M. Yu

2017-01-01

An example of virtual lab work on unique experimental equipment is presented. The virtual lab work is software based on a model of real equipment. Virtual labs can be used for educational process in nuclear safety and analysis field. As an example it includes the virtual lab called “Experimental determination of the material parameter depending on the pitch of a uranium-water lattice”. This paper included general description of this lab. A description of a database on the support of laboratory work on unique experimental equipment which is included this work, its concept development are also presented.
A comparison of two experimental design approaches in applying conjoint analysis in patient-centered outcomes research: a randomized trial.

PubMed

Kinter, Elizabeth T; Prior, Thomas J; Carswell, Christopher I; Bridges, John F P

2012-01-01

While the application of conjoint analysis and discrete-choice experiments in health are now widely accepted, a healthy debate exists around competing approaches to experimental design. There remains, however, a paucity of experimental evidence comparing competing design approaches and their impact on the application of these methods in patient-centered outcomes research. Our objectives were to directly compare the choice-model parameters and predictions of an orthogonal and a D-efficient experimental design using a randomized trial (i.e., an experiment on experiments) within an application of conjoint analysis studying patient-centered outcomes among outpatients diagnosed with schizophrenia in Germany. Outpatients diagnosed with schizophrenia were surveyed and randomized to receive choice tasks developed using either an orthogonal or a D-efficient experimental design. The choice tasks elicited judgments from the respondents as to which of two patient profiles (varying across seven outcomes and process attributes) was preferable from their own perspective. The results from the two survey designs were analyzed using the multinomial logit model, and the resulting parameter estimates and their robust standard errors were compared across the two arms of the study (i.e., the orthogonal and D-efficient designs). The predictive performances of the two resulting models were also compared by computing their percentage of survey responses classified correctly, and the potential for variation in scale between the two designs of the experiments was tested statistically and explored graphically. The results of the two models were statistically identical. No difference was found using an overall chi-squared test of equality for the seven parameters (p = 0.69) or via uncorrected pairwise comparisons of the parameter estimates (p-values ranged from 0.30 to 0.98). The D-efficient design resulted in directionally smaller standard errors for six of the seven parameters, of which only two were statistically significant, and no differences were found in the observed D-efficiencies of their standard errors (p = 0.62). The D-efficient design resulted in poorer predictive performance, but this was not significant (p = 0.73); there was some evidence that the parameters of the D-efficient design were biased marginally towards the null. While no statistical difference in scale was detected between the two designs (p = 0.74), the D-efficient design had a higher relative scale (1.06). This could be observed when the parameters were explored graphically, as the D-efficient parameters were lower. Our results indicate that orthogonal and D-efficient experimental designs have produced results that are statistically equivalent. This said, we have identified several qualitative findings that speak to the potential differences in these results that may have been statistically identified in a larger sample. While more comparative studies focused on the statistical efficiency of competing design strategies are needed, a more pressing research problem is to document the impact the experimental design has on respondent efficiency.
Development of an Experimental and Digital Cardiovascular Arterial Model for Transient Hemodynamic and Postural Change Studies: "A Preliminary Framework Analysis".

PubMed

Hewlin, Rodward L; Kizito, John P

2018-03-01

The ultimate goal of the present work is to aid in the development of tools to assist in the treatment of cardiovascular disease. Gaining an understanding of hemodynamic parameters for medical implants allow clinicians to have some patient-specific proposals for intervention planning. In the present work an experimental and digital computational fluid dynamics (CFD) arterial model consisting of a number of major arteries (aorta, carotid bifurcation, cranial, femoral, jejunal, and subclavian arteries) were fabricated to study: (1) the effects of local hemodynamics (flow parameters) on global hemodynamics (2) the effects of transition from bedrest to upright position (postural change) on hemodynamics, and (3) diffusion of dye (medical drug diffusion simulation) in the arterial system via experimental and numerical techniques. The experimental and digital arterial models used in the present study are the first 3-D systems reported in literature to incorporate the major arterial vessels that deliver blood from the heart to the cranial and femoral arteries. These models are also the first reported in literature to be used for flow parameter assessment via medical drug delivery and orthostatic postural change studies. The present work addresses the design of the experimental and digital arterial model in addition to the design of measuring tools used to measure hemodynamic parameters. The experimental and digital arterial model analyzed in the present study was developed from patient specific computed tomography angiography (CTA) scans and simplified geometric data. Segments such as the aorta (ascending and descending) and carotid bifurcation arteries of the experimental and digital arterial model was created from online available patient-specific CTA scan data provided by Charite' Clinical and Research Hospital. The cranial and coronary arteries were simplified arterial geometries developed from dimensional specification data used in previous work. For the patient specific geometries, a MATLAB code was written to upload the CTA scans of each artery, calculate the centroids, and produce surface splines at each discrete cross section along the lumen centerline to create the patient specific arterial geometries. The MATLAB code worked in conjunction with computer aided software (CAD) Solidworks to produce solid models of the patient specific geometries and united them with the simplified geometries to produce the full arterial model (CAD model). The CAD model was also used as a blueprint to fabricate the experimental model which was used for flow visualization via particle imaging velocimetry (PIV) and postural change studies. A custom pulse duplicator (pulsatile pump) was also designed and developed for the present work. The pulse duplicator is capable of producing patient-specific volumetric waveforms for inlet flow to the experimental arterial model. A simple fluid structure interaction (FSI) study was also conducted via optical techniques to establish the magnitude of vessel diameter change due to the pulsatile flow. A medical drug delivery (dye dispersion and tracing) case was simulated via a dye being dispersed into the pulsatile flow stream to measure the transit time of the dye front. Pressure waveforms for diseased cases (hypertension & stenotic cases) were also obtained from the experimental arterial model during postural changes from bedrest (0°) to upright position (90°). The postural changes were simulated via attaching the experimental model to a tile table the can transition from 0° to 90°. The PIV results obtained from the experimental model provided parametric data such as velocity and wall shear stress data. The medical drug delivery simulations (experimental and numerical) studies produce time dependent data which is useful for predicting flow trajectory and transit time of medical drug dispersion. In the case of postural change studies, pressure waveforms were obtained from the common carotid artery and the femoral sections to yield pressure difference data useful for orthostatic hypotension analysis. Flow parametric data such as vorticity (flow reversal), wall shear stress, normal stress, and medical drug transit data was also obtained from the digital arterial model CFD simulations. Although the present work is preliminary work, the experimental and digital models proves to be useful in providing flow parametric data of interest such as: (1) normal stress which is useful for predicting the magnitude of forces which could promote arterial rupture or dislodging of medical implants, (2) wall shear stress which is useful for analyzing the magnitude of drug transport at the arterial wall, (3) vorticity which is useful for predicting the magnitude of flow reversal, and (4) arterial compliance in the case of the experimental model which could be useful in the efforts of developing FSI numerical simulations that incorporates compliance which realistically models the flow in the arterial system.
Understanding heat and fluid flow in linear GTA welds

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

Zacharia, T.; David, S.A.; Vitek, J.M.

1992-01-01

A transient heat flow and fluid flow model was used to predict the development of gas tungsten arc (GTA) weld pools in 1.5 mm thick AISI 304 SS. The welding parameters were chosen so as to correspond to an earlier experimental study which produced high-resolution surface temperature maps. The motivation of the present study was to verify the predictive capability of the computational model. Comparison of the numerical predictions and experimental observations indicate good agreement.
Understanding heat and fluid flow in linear GTA welds

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

Zacharia, T.; David, S.A.; Vitek, J.M.

1992-12-31

A transient heat flow and fluid flow model was used to predict the development of gas tungsten arc (GTA) weld pools in 1.5 mm thick AISI 304 SS. The welding parameters were chosen so as to correspond to an earlier experimental study which produced high-resolution surface temperature maps. The motivation of the present study was to verify the predictive capability of the computational model. Comparison of the numerical predictions and experimental observations indicate good agreement.
Subsite mapping of enzymes. Depolymerase computer modelling.

PubMed Central

Allen, J D; Thoma, J A

1976-01-01

We have developed a depolymerase computer model that uses a minimization routine. The model is designed so that, given experimental bond-cleavage frequencies for oligomeric substrates and experimental Michaelis parameters as a function of substrate chain length, the optimum subsite map is generated. The minimized sum of the weighted-squared residuals of the experimental and calculated data is used as a criterion of the goodness-of-fit for the optimized subsite map. The application of the minimization procedure to subsite mapping is explored through the use of simulated data. A procedure is developed whereby the minimization model can be used to determine the number of subsites in the enzymic binding region and to locate the position of the catalytic amino acids among these subsites. The degree of propagation of experimental variance into the subsite-binding energies is estimated. The question of whether hydrolytic rate coefficients are constant or a function of the number of filled subsites is examined. PMID:999629
Theory and in vivo application of electroporative gene delivery.

PubMed

Somiari, S; Glasspool-Malone, J; Drabick, J J; Gilbert, R A; Heller, R; Jaroszeski, M J; Malone, R W

2000-09-01

Efficient and safe methods for delivering exogenous genetic material into tissues must be developed before the clinical potential of gene therapy will be realized. Recently, in vivo electroporation has emerged as a leading technology for developing nonviral gene therapies and nucleic acid vaccines (NAV). Electroporation (EP) involves the application of pulsed electric fields to cells to enhance cell permeability, resulting in exogenous polynucleotide transit across the cytoplasmic membrane. Similar pulsed electrical field treatments are employed in a wide range of biotechnological processes including in vitro EP, hybridoma production, development of transgenic animals, and clinical electrochemotherapy. Electroporative gene delivery studies benefit from well-developed literature that may be used to guide experimental design and interpretation. Both theory and experimental analysis predict that the critical parameters governing EP efficacy include cell size and field strength, duration, frequency, and total number of applied pulses. These parameters must be optimized for each tissue in order to maximize gene delivery while minimizing irreversible cell damage. By providing an overview of the theory and practice of electroporative gene transfer, this review intends to aid researchers that wish to employ the method for preclinical and translational gene therapy, NAV, and functional genomic research.
Measurement of the Acoustic Nonlinearity Parameter for Biological Media.

NASA Astrophysics Data System (ADS)

Cobb, Wesley Nelson

In vitro measurements of the acoustic nonlinearity parameter are presented for several biological media. With these measurements it is possible to predict the distortion of a finite amplitude wave in biological tissues of current diagnostic and research interest. The measurement method is based on the finite amplitude distortion of a sine wave that is emmitted by a piston source. The growth of the second harmonic component of this wave is measured by a piston receiver which is coaxial with and has the same size as the source. The experimental measurements and theory are compared in order to determine the nonlinearity parameter. The density, sound speed, and attenuation for the medium are determined in order to make this comparison. The theory developed for this study accounts for the influence of both diffraction and attenuation on the experimental measurements. The effects of dispersion, tissue inhomogeneity and gas bubbles within the excised tissues are studied. To test the measurement method, experimental results are compared with established values for the nonlinearity parameter of distilled water, ethylene glycol and glycerol. The agreement between these values suggests that the measurement uncertainty is (+OR-) 5% for liquids and (+OR-) 10% for solid tissues. Measurements are presented for dog blood and bovine serum albumen as a function of concentration. The nonlinearity parameters for liver, kidney and spleen are reported for both human and canine tissues. The values for the fresh tissues displayed little variation (6.8 to 7.8). Measurements for fixed, normal and cirrhotic tissues indicated that the nonlinearity parameter does not depend strongly on pathology. However, the values for fixed tissues were somewhat higher than those of the fresh tissues.
Determination of Material Constitutive Laws for Inconel 718 Superalloy Under Different Strain Rates and Working Temperatures

NASA Astrophysics Data System (ADS)

Grzesik, W.; Niesłony, P.; Laskowski, P.

2017-12-01

In this paper, a special procedure for the prediction of parameters of the Johnson-Cook constitutive material models is proposed based on the experimental data and specially developed MATLAB scripts which allow advanced modeling of complex 3D response surfaces. Experimental investigations concern two various strain rates of 10-3 and 101 1/s and the testing temperature ranging from the ambient up to 700 °C. As a result, a set of mathematical equations which fit the experimental data is determined. The applicability of the experimentally derived constitutive models to the FEM modeling of real machining processes of Inconel 718 alloy is verified.
A Comprehensive Validation Methodology for Sparse Experimental Data

NASA Technical Reports Server (NTRS)

Norman, Ryan B.; Blattnig, Steve R.

2010-01-01

A comprehensive program of verification and validation has been undertaken to assess the applicability of models to space radiation shielding applications and to track progress as models are developed over time. The models are placed under configuration control, and automated validation tests are used so that comparisons can readily be made as models are improved. Though direct comparisons between theoretical results and experimental data are desired for validation purposes, such comparisons are not always possible due to lack of data. In this work, two uncertainty metrics are introduced that are suitable for validating theoretical models against sparse experimental databases. The nuclear physics models, NUCFRG2 and QMSFRG, are compared to an experimental database consisting of over 3600 experimental cross sections to demonstrate the applicability of the metrics. A cumulative uncertainty metric is applied to the question of overall model accuracy, while a metric based on the median uncertainty is used to analyze the models from the perspective of model development by analyzing subsets of the model parameter space.
Development and Performance Assessment of White LED Dimmer

NASA Astrophysics Data System (ADS)

Maiti, Pradip Kr.; Roy, Biswanath

2017-10-01

A microcontroller based electronic dimmer is developed using pulse width modulation technique. This dimmer is controllable by infra-red remote within a distance of 4 m and can be electrically connected between LED module and its driver. The performance of a developed LED dimmer is assessed on basis of variation of the photometric parameters of commercially available warm white and cool white LED luminaire used in indoor lighting applications. Four equally spaced dimming levels are considered to measure luminous efficacy, spectral power distribution, CIE 1931 chromaticity coordinates, CIE 1976 CIELUV color difference, correlated color temperature, general color rendering index and one specific color rendering index for saturated red color sample. Variations of above parameters are found out with reference to the values measured at rated voltage without the developed dimmer. Analysis of experimentally measured data shows that the developed LED dimmer is capable to vary light output of the WLED luminaire within a range of 25-100% without appreciable variation of its photometric and color parameters. The only exception is observed for the luminous efficacy parameter where it shows about 17 and 14.7% reduction for warm white and cool white LED luminaire at 25% dimming level.
Physiological responses to environmental factors related to space flight

NASA Technical Reports Server (NTRS)

Pace, N.

1972-01-01

The research is reported for establishing physiological base line data, and for developing procedures and instrumentation necessary for the automatic measurement of hemodynamic and metabolic parameters. The work in the following areas is discussed: biochemistry, bioinstrumentation, nutrition, physiology, experimental surgery, and animal colony.
The genetics of geometry

PubMed Central

Coen, Enrico; Rolland-Lagan, Anne-Gaëlle; Matthews, Mark; Bangham, J. Andrew; Prusinkiewicz, Przemyslaw

2004-01-01

Although much progress has been made in understanding how gene expression patterns are established during development, much less is known about how these patterns are related to the growth of biological shapes. Here we describe conceptual and experimental approaches to bridging this gap, with particular reference to plant development where lack of cell movement simplifies matters. Growth and shape change in plants can be fully described with four types of regional parameter: growth rate, anisotropy, direction, and rotation. A key requirement is to understand how these parameters both influence and respond to the action of genes. This can be addressed by using mechanistic models that capture interactions among three components: regional identities, regionalizing morphogens, and polarizing morphogens. By incorporating these interactions within a growing framework, it is possible to generate shape changes and associated gene expression patterns according to particular hypotheses. The results can be compared with experimental observations of growth of normal and mutant forms, allowing further hypotheses and experiments to be formulated. We illustrate these principles with a study of snapdragon petal growth. PMID:14960734
Actuator with built-in viscous damping for isolation and structural control

NASA Astrophysics Data System (ADS)

Hyde, T. Tupper; Anderson, Eric H.

1994-05-01

This paper describes the development and experimental application of an actuator with built-in viscous damping. An existing passive damper was modified for use as a novel actuation device for isolation and structural control. The device functions by using the same fluid for viscous damping and as a hydraulic lever for a voice coil actuator. Applications for such an actuator include structural control and active isolation. Lumped parameter models capturing structural and fluid effects are presented. Component tests of free stroke, blocked force, and passive complex stiffness are used to update the assumed model parameters. The structural damping effectiveness of the new actuator is shown to be that of a regular D-strut passively and that of a piezoelectric strut with load cell feedback actively in a complex testbed structure. Open and closed loop results are presented for a force isolation application showing an 8 dB passive and 20 dB active improvement over an undamped mount. An optimized design for a future experimental testbed is developed.
Experimental Study of Direct Laser Deposition of Ti-6Al-4V and Inconel 718 by Using Pulsed Parameters

PubMed Central

Shah, Kamran; Haq, Izhar Ul; Shah, Shaukat Ali; Khan, Farid Ullah; Khan, Sikander

2014-01-01

Laser direct metal deposition (LDMD) has developed from a prototyping to a single metal manufacturing tool. Its potential for creating multimaterial and functionally graded structures is now beginning to be explored. This work is a first part of a study in which a single layer of Inconel 718 is deposited on Ti-6Al-4V substrate. Single layer tracks were built at a range of powder mass flow rates using a coaxial nozzle and 1.5 kW diode laser operating in both continuous and pulsed beam modes. This part of the study focused on the experimental findings during the deposition of Inconel 718 powder on Ti-6Al-4V substrate. Scanning electron microscopy (SEM) and X-ray diffraction analysis were performed for characterization and phase identification. Residual stress measurement had been carried out to ascertain the effects of laser pulse parameters on the crack development during the deposition process. PMID:24592190
A unified framework for unraveling the functional interaction structure of a biomolecular network based on stimulus-response experimental data.

PubMed

Cho, Kwang-Hyun; Choo, Sang-Mok; Wellstead, Peter; Wolkenhauer, Olaf

2005-08-15

We propose a unified framework for the identification of functional interaction structures of biomolecular networks in a way that leads to a new experimental design procedure. In developing our approach, we have built upon previous work. Thus we begin by pointing out some of the restrictions associated with existing structure identification methods and point out how these restrictions may be eased. In particular, existing methods use specific forms of experimental algebraic equations with which to identify the functional interaction structure of a biomolecular network. In our work, we employ an extended form of these experimental algebraic equations which, while retaining their merits, also overcome some of their disadvantages. Experimental data are required in order to estimate the coefficients of the experimental algebraic equation set associated with the structure identification task. However, experimentalists are rarely provided with guidance on which parameters to perturb, and to what extent, to perturb them. When a model of network dynamics is required then there is also the vexed question of sample rate and sample time selection to be resolved. Supplying some answers to these questions is the main motivation of this paper. The approach is based on stationary and/or temporal data obtained from parameter perturbations, and unifies the previous approaches of Kholodenko et al. (PNAS 99 (2002) 12841-12846) and Sontag et al. (Bioinformatics 20 (2004) 1877-1886). By way of demonstration, we apply our unified approach to a network model which cannot be properly identified by existing methods. Finally, we propose an experiment design methodology, which is not limited by the amount of parameter perturbations, and illustrate its use with an in numero example.
Determination of excitation profile and dielectric function spatial nonuniformity in porous silicon by using WKB approach.

PubMed

He, Wei; Yurkevich, Igor V; Canham, Leigh T; Loni, Armando; Kaplan, Andrey

2014-11-03

We develop an analytical model based on the WKB approach to evaluate the experimental results of the femtosecond pump-probe measurements of the transmittance and reflectance obtained on thin membranes of porous silicon. The model allows us to retrieve a pump-induced nonuniform complex dielectric function change along the membrane depth. We show that the model fitting to the experimental data requires a minimal number of fitting parameters while still complying with the restriction imposed by the Kramers-Kronig relation. The developed model has a broad range of applications for experimental data analysis and practical implementation in the design of devices involving a spatially nonuniform dielectric function, such as in biosensing, wave-guiding, solar energy harvesting, photonics and electro-optical devices.
Parameter recovery, bias and standard errors in the linear ballistic accumulator model.

PubMed

Visser, Ingmar; Poessé, Rens

2017-05-01

The linear ballistic accumulator (LBA) model (Brown & Heathcote, , Cogn. Psychol., 57, 153) is increasingly popular in modelling response times from experimental data. An R package, glba, has been developed to fit the LBA model using maximum likelihood estimation which is validated by means of a parameter recovery study. At sufficient sample sizes parameter recovery is good, whereas at smaller sample sizes there can be large bias in parameters. In a second simulation study, two methods for computing parameter standard errors are compared. The Hessian-based method is found to be adequate and is (much) faster than the alternative bootstrap method. The use of parameter standard errors in model selection and inference is illustrated in an example using data from an implicit learning experiment (Visser et al., , Mem. Cogn., 35, 1502). It is shown that typical implicit learning effects are captured by different parameters of the LBA model. © 2017 The British Psychological Society.
A Three-Parameter Model for Predicting Fatigue Life of Ductile Metals Under Constant Amplitude Multiaxial Loading

NASA Astrophysics Data System (ADS)

Liu, Jia; Li, Jing; Zhang, Zhong-ping

2013-04-01

In this article, a fatigue damage parameter is proposed to assess the multiaxial fatigue lives of ductile metals based on the critical plane concept: Fatigue crack initiation is controlled by the maximum shear strain, and the other important effect in the fatigue damage process is the normal strain and stress. This fatigue damage parameter introduces a stress-correlated factor, which describes the degree of the non-proportional cyclic hardening. Besides, a three-parameter multiaxial fatigue criterion is used to correlate the fatigue lifetime of metallic materials with the proposed damage parameter. Under the uniaxial loading, this three-parameter model reduces to the recently developed Zhang's model for predicting the uniaxial fatigue crack initiation life. The accuracy and reliability of this three-parameter model are checked against the experimental data found in literature through testing six different ductile metals under various strain paths with zero/non-zero mean stress.

Vaporization dynamics of volatile perfluorocarbon droplets: A theoretical model and in vitro validation

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

Doinikov, Alexander A., E-mail: doinikov@bsu.by; Bouakaz, Ayache; Sheeran, Paul S.

2014-10-15

Purpose: Perfluorocarbon (PFC) microdroplets, called phase-change contrast agents (PCCAs), are a promising tool in ultrasound imaging and therapy. Interest in PCCAs is motivated by the fact that they can be triggered to transition from the liquid state to the gas state by an externally applied acoustic pulse. This property opens up new approaches to applications in ultrasound medicine. Insight into the physics of vaporization of PFC droplets is vital for effective use of PCCAs and for anticipating bioeffects. PCCAs composed of volatile PFCs (with low boiling point) exhibit complex dynamic behavior: after vaporization by a short acoustic pulse, a PFCmore » droplet turns into a vapor bubble which undergoes overexpansion and damped radial oscillation until settling to a final diameter. This behavior has not been well described theoretically so far. The purpose of our study is to develop an improved theoretical model that describes the vaporization dynamics of volatile PFC droplets and to validate this model by comparison with in vitro experimental data. Methods: The derivation of the model is based on applying the mathematical methods of fluid dynamics and thermodynamics to the process of the acoustic vaporization of PFC droplets. The used approach corrects shortcomings of the existing models. The validation of the model is carried out by comparing simulated results with in vitro experimental data acquired by ultrahigh speed video microscopy for octafluoropropane (OFP) and decafluorobutane (DFB) microdroplets of different sizes. Results: The developed theory allows one to simulate the growth of a vapor bubble inside a PFC droplet until the liquid PFC is completely converted into vapor, and the subsequent overexpansion and damped oscillations of the vapor bubble, including the influence of an externally applied acoustic pulse. To evaluate quantitatively the difference between simulated and experimental results, the L2-norm errors were calculated for all cases where the simulated and experimental results are compared. These errors were found to be in the ranges of 0.043–0.067 and 0.037–0.088 for OFP and DFB droplets, respectively. These values allow one to consider agreement between the simulated and experimental results as good. This agreement is attained by varying only 2 of 16 model parameters which describe the material properties of gaseous and liquid PFCs and the liquid surrounding the PFC droplet. The fitting parameters are the viscosity and the surface tension of the surrounding liquid. All other model parameters are kept invariable. Conclusions: The good agreement between the theoretical and experimental results suggests that the developed model is able to correctly describe the key physical processes underlying the vaporization dynamics of volatile PFC droplets. The necessity of varying the parameters of the surrounding liquid for fitting the experimental curves can be explained by the fact that the parts of the initial phospholipid shell of PFC droplets remain on the surface of vapor bubbles at the oscillatory stage and their presence affects the bubble dynamics.« less
Development of a TDLAS sensor for temperature and concentration of H2 O in high speed and high temperature flows

NASA Astrophysics Data System (ADS)

Sheehe, Suzanne; O'Byrne, Sean

2017-06-01

The development of a sensor for simultaneous temperature concentration of H2 O and temperature in high speed flows is presented. H2 O is a desirable target sensing species because it is a primary product in combustion systems; both temperature and concentration profiles can be used to assess both the extent of the combustion and the flow field characteristics. Accurate measurements are therefore highly desirable. The sensor uses a vertical-cavity surface emitting laser (VCSEL) scanned at 50 kHz from 7172 to 7186 cm-1. Temperatures and concentrations are extracted from the spectra by fitting theoretical spectra to the experimental data. The theoretical spectra are generated using GENSPECT in conjunction with line parameters from the HITRAN 2012 database. To validate the theoretical spectra, experimental spectra of H2 O were obtained at known temperatures (290-550 K) and pressures (30 torr) in a heated static gas cell. The results show that some theoretical lines deviate from the experimental lines. New line-strengths are calculated assuming that the line assignments and broadening parameters in HITRAN are correct. This data is essential for accurate H2 O concentration and temperature measurements at low pressure and high temperature conditions. US Air Force Asian Office of Aerospace Research and Development Grant FA2386-16-1-4092.
Investigation of Laser Welding of Ti Alloys for Cognitive Process Parameters Selection.

PubMed

Caiazzo, Fabrizia; Caggiano, Alessandra

2018-04-20

Laser welding of titanium alloys is attracting increasing interest as an alternative to traditional joining techniques for industrial applications, with particular reference to the aerospace sector, where welded assemblies allow for the reduction of the buy-to-fly ratio, compared to other traditional mechanical joining techniques. In this research work, an investigation on laser welding of Ti⁻6Al⁻4V alloy plates is carried out through an experimental testing campaign, under different process conditions, in order to perform a characterization of the produced weld bead geometry, with the final aim of developing a cognitive methodology able to support decision-making about the selection of the suitable laser welding process parameters. The methodology is based on the employment of artificial neural networks able to identify correlations between the laser welding process parameters, with particular reference to the laser power, welding speed and defocusing distance, and the weld bead geometric features, on the basis of the collected experimental data.
Investigation of Laser Welding of Ti Alloys for Cognitive Process Parameters Selection

PubMed Central

2018-01-01

Laser welding of titanium alloys is attracting increasing interest as an alternative to traditional joining techniques for industrial applications, with particular reference to the aerospace sector, where welded assemblies allow for the reduction of the buy-to-fly ratio, compared to other traditional mechanical joining techniques. In this research work, an investigation on laser welding of Ti–6Al–4V alloy plates is carried out through an experimental testing campaign, under different process conditions, in order to perform a characterization of the produced weld bead geometry, with the final aim of developing a cognitive methodology able to support decision-making about the selection of the suitable laser welding process parameters. The methodology is based on the employment of artificial neural networks able to identify correlations between the laser welding process parameters, with particular reference to the laser power, welding speed and defocusing distance, and the weld bead geometric features, on the basis of the collected experimental data. PMID:29677114
Bayesian inference for dynamic transcriptional regulation; the Hes1 system as a case study.

PubMed

Heron, Elizabeth A; Finkenstädt, Bärbel; Rand, David A

2007-10-01

In this study, we address the problem of estimating the parameters of regulatory networks and provide the first application of Markov chain Monte Carlo (MCMC) methods to experimental data. As a case study, we consider a stochastic model of the Hes1 system expressed in terms of stochastic differential equations (SDEs) to which rigorous likelihood methods of inference can be applied. When fitting continuous-time stochastic models to discretely observed time series the lengths of the sampling intervals are important, and much of our study addresses the problem when the data are sparse. We estimate the parameters of an autoregulatory network providing results both for simulated and real experimental data from the Hes1 system. We develop an estimation algorithm using MCMC techniques which are flexible enough to allow for the imputation of latent data on a finer time scale and the presence of prior information about parameters which may be informed from other experiments as well as additional measurement error.
Thermodynamic, electronic and magnetic properties of intermetallic compounds through statistical models

NASA Astrophysics Data System (ADS)

Cadeville, M. C.; Pierron-Bohnes, V.; Bouzidi, L.; Sanchez, J. M.

1993-01-01

Local and average electronic and magnetic properties of transition metal alloys are strongly correlated to the distribution of atoms on the lattice sites. The ability of some systems to form long range ordered structures at low temperature allows to discuss their properties in term of well identified occupation operators as those related to long range order (LRO) parameters. We show that using theoretical determinations of these LRO parameters through statistical models like the cluster variation method (CVM) developed to simulate the experimental phase diagrams, we are able to reproduce a lot of physical properties. In this paper we focus on two points: (i) a comparison between CVM results and an experimental determination of the LRO parameter by NMR at 59Co in a CoPt3 compound, and (ii) the modelling of the resistivity of ferromagnetic and paramagnetic intermetallic compounds belonging to Co-Pt, Ni-Pt and Fe-Al systems. All experiments were performed on samples in identified thermodynamic states, implying that kinetic effects are thoroughly taken into account.
Data-driven sensitivity inference for Thomson scattering electron density measurement systems.

PubMed

Fujii, Keisuke; Yamada, Ichihiro; Hasuo, Masahiro

2017-01-01

We developed a method to infer the calibration parameters of multichannel measurement systems, such as channel variations of sensitivity and noise amplitude, from experimental data. We regard such uncertainties of the calibration parameters as dependent noise. The statistical properties of the dependent noise and that of the latent functions were modeled and implemented in the Gaussian process kernel. Based on their statistical difference, both parameters were inferred from the data. We applied this method to the electron density measurement system by Thomson scattering for the Large Helical Device plasma, which is equipped with 141 spatial channels. Based on the 210 sets of experimental data, we evaluated the correction factor of the sensitivity and noise amplitude for each channel. The correction factor varies by ≈10%, and the random noise amplitude is ≈2%, i.e., the measurement accuracy increases by a factor of 5 after this sensitivity correction. The certainty improvement in the spatial derivative inference was demonstrated.
DOE Office of Scientific and Technical Information (OSTI.GOV)

Sousa, Francisco F. G. de; Rubinger, Rero M.; Sartorelli, José C., E-mail: sartorelli@if.usp.br

We report high-resolution measurements that experimentally confirm a spiral cascade structure and a scaling relationship of shrimps in the Chua's circuit. Circuits constructed using this component allow for a comprehensive characterization of the circuit behaviors through high resolution parameter spaces. To illustrate the power of our technological development for the creation and the study of chaotic circuits, we constructed a Chua circuit and study its high resolution parameter space. The reliability and stability of the designed component allowed us to obtain data for long periods of time (∼21 weeks), a data set from which an accurate estimation of Lyapunov exponentsmore » for the circuit characterization was possible. Moreover, this data, rigorously characterized by the Lyapunov exponents, allows us to reassure experimentally that the shrimps, stable islands embedded in a domain of chaos in the parameter spaces, can be observed in the laboratory. Finally, we confirm that their sizes decay exponentially with the period of the attractor, a result expected to be found in maps of the quadratic family.« less
Product design for energy reduction in concurrent engineering: An Inverted Pyramid Approach

NASA Astrophysics Data System (ADS)

Alkadi, Nasr M.

Energy factors in product design in concurrent engineering (CE) are becoming an emerging dimension for several reasons; (a) the rising interest in "green design and manufacturing", (b) the national energy security concerns and the dramatic increase in energy prices, (c) the global competition in the marketplace and global climate change commitments including carbon tax and emission trading systems, and (d) the widespread recognition of the need for sustainable development. This research presents a methodology for the intervention of energy factors in concurrent engineering product development process to significantly reduce the manufacturing energy requirement. The work presented here is the first attempt at integrating the design for energy in concurrent engineering framework. It adds an important tool to the DFX toolbox for evaluation of the impact of design decisions on the product manufacturing energy requirement early during the design phase. The research hypothesis states that "Product Manufacturing Energy Requirement is a Function of Design Parameters". The hypothesis was tested by conducting experimental work in machining and heat treating that took place at the manufacturing lab of the Industrial and Management Systems Engineering Department (IMSE) at West Virginia University (WVU) and at a major U.S steel manufacturing plant, respectively. The objective of the machining experiment was to study the effect of changing specific product design parameters (Material type and diameter) and process design parameters (metal removal rate) on a gear head lathe input power requirement through performing defined sets of machining experiments. The objective of the heat treating experiment was to study the effect of varying product charging temperature on the fuel consumption of a walking beams reheat furnace. The experimental work in both directions have revealed important insights into energy utilization in machining and heat-treating processes and its variance based on product, process, and system design parameters. In depth evaluation to how the design and manufacturing normally happen in concurrent engineering provided a framework to develop energy system levels in machining within the concurrent engineering environment using the method of "Inverted Pyramid Approach", (IPA). The IPA features varying levels of output energy based information depending on the input design parameters that is available during each stage (level) of the product design. The experimental work, the in-depth evaluation of design and manufacturing in CE, and the developed energy system levels in machining provided a solid base for the development of the model for the design for energy reduction in CE. The model was used to analyze an example part where 12 evolving designs were thoroughly reviewed to investigate the sensitivity of energy to design parameters in machining. The model allowed product design teams to address manufacturing energy concerns early during the design stage. As a result, ranges for energy sensitive design parameters impacting product manufacturing energy consumption were found in earlier levels. As designer proceeds to deeper levels in the model, this range tightens and results in significant energy reductions.
Towards Prognostics of Power MOSFETs: Accelerated Aging and Precursors of Failure

NASA Technical Reports Server (NTRS)

Celaya, Jose R.; Saxena, Abhinav; Wysocki, Philip; Saha, Sankalita; Goebel, Kai

2010-01-01

This paper presents research results dealing with power MOSFETs (metal oxide semiconductor field effect transistor) within the prognostics and health management of electronics. Experimental results are presented for the identification of the on-resistance as a precursor to failure of devices with die-attach degradation as a failure mechanism. Devices are aged under power cycling in order to trigger die-attach damage. In situ measurements of key electrical and thermal parameters are collected throughout the aging process and further used for analysis and computation of the on-resistance parameter. Experimental results show that the devices experience die-attach damage and that the on-resistance captures the degradation process in such a way that it could be used for the development of prognostics algorithms (data-driven or physics-based).
Plasma gasification of municipal solid waste

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

Carter, G.W.; Tsangaris, A.V.

1995-12-31

Resorption Canada Limited (RCL) has conducted extensive operational testing with plasma technology in their plasma facility near Ottawa, Ontario, Canada to develop an environmentally friendly waste disposal process. Plasma technology, when utilized in a reactor vessel with the exclusion of oxygen, provides for the complete gasification of all combustibles in source materials with non-combustibles being converted to a non-hazardous slag. The energy and environmental characteristics of the plasma gasification of carbonaceous waste materials were studied over a period of eight years during which RCL completed extensive experimentation with MSW. A plasma processing system capable of processing 200--400 lbs/hr of MSWmore » was designed and built. The experimentation on MSW concentrated on establishing the optimum operating parameters and determining the energy and environmental characteristics at these operating parameters.« less
Dry mechanochemical synthesis of hydroxyapatites from DCPD and CaO: influence of instrumental parameters on the reaction kinetics.

PubMed

Mochales, Carolina; El Briak-BenAbdeslam, Hassane; Ginebra, Maria Pau; Terol, Alain; Planell, Josep A; Boudeville, Philippe

2004-01-01

Mechanochemistry is a possible route to synthesize calcium deficient hydroxyapatite (CDHA) with an expected molar calcium-to-phosphate (Ca/P) ratio +/-0.01. To optimize the experimental conditions of CDHA preparation from dicalcium phosphate dihydrate (DCPD) and calcium oxide by dry mechanosynthesis reaction, we performed the kinetic study varying some experimental parameters. This kinetic study was carried out with two different planetary ball mills (Retsch or Fritsch Instuments). Results obtained with the two mills led to the same conclusions although the values of the rate constants of DCPD disappearance and times for complete reaction were very different. Certainly, the origin of these differences was from the mills used, thus we investigated the influence of instrumental parameters such as the mass and the surface area of the balls or the rotation velocity on the mechanochemical reaction kinetics of DCPD with CaO. Results show that the DCPD reaction rate constant and the inverse of the time for complete disappearance of CaO both vary linearly with (i) the square of the rotation velocity, (ii) the square of eccentricity of the vial on the rotating disc and (iii) the product of the mass by the surface area of the balls. These observations comply with theoretical models developed for mechanical alloying. The consideration of these four parameters allows the transposition of experimental conditions from one mill to another or the comparison between results obtained with different planetary ball mills. These instrumental parameters have to be well described in papers concerning mechanochemistry or when grinding is an important stage in a process.
Acute effect of Vagus nerve stimulation parameters on cardiac chronotropic, inotropic, and dromotropic responses

NASA Astrophysics Data System (ADS)

Ojeda, David; Le Rolle, Virginie; Romero-Ugalde, Hector M.; Gallet, Clément; Bonnet, Jean-Luc; Henry, Christine; Bel, Alain; Mabo, Philippe; Carrault, Guy; Hernández, Alfredo I.

2017-11-01

Vagus nerve stimulation (VNS) is an established therapy for drug-resistant epilepsy and depression, and is considered as a potential therapy for other pathologies, including Heart Failure (HF) or inflammatory diseases. In the case of HF, several experimental studies on animals have shown an improvement in the cardiac function and a reverse remodeling of the cardiac cavity when VNS is applied. However, recent clinical trials have not been able to reproduce the same response in humans. One of the hypothesis to explain this lack of response is related to the way in which stimulation parameters are defined. The combined effect of VNS parameters is still poorly-known, especially in the case of VNS synchronously delivered with cardiac activity. In this paper, we propose a methodology to analyze the acute cardiovascular effects of VNS parameters individually, as well as their interactive effects. A Latin hypercube sampling method was applied to design a uniform experimental plan. Data gathered from this experimental plan was used to produce a Gaussian process regression (GPR) model in order to estimate unobserved VNS sequences. Finally, a Morris screening sensitivity analysis method was applied to each obtained GPR model. Results highlight dominant effects of pulse current, pulse width and number of pulses over frequency and delay and, more importantly, the degree of interactions between these parameters on the most important acute cardiovascular responses. In particular, high interacting effects between current and pulse width were found. Similar sensitivity profiles were observed for chronotropic, dromotropic and inotropic effects. These findings are of primary importance for the future development of closed-loop, personalized neuromodulator technologies.
Quantitative estimation of minimum offset for multichannel surface-wave survey with actively exciting source

USGS Publications Warehouse

Xu, Y.; Xia, J.; Miller, R.D.

2006-01-01

Multichannel analysis of surface waves is a developing method widely used in shallow subsurface investigations. The field procedures and related parameters are very important for successful applications. Among these parameters, the source-receiver offset range is seldom discussed in theory and normally determined by empirical or semi-quantitative methods in current practice. This paper discusses the problem from a theoretical perspective. A formula for quantitatively evaluating a layered homogenous elastic model was developed. The analytical results based on simple models and experimental data demonstrate that the formula is correct for surface wave surveys for near-surface applications. ?? 2005 Elsevier B.V. All rights reserved.
Gas-liquid countercurrent integration process for continuous biodiesel production using a microporous solid base KF/CaO as catalyst.

PubMed

Hu, Shengyang; Wen, Libai; Wang, Yun; Zheng, Xinsheng; Han, Heyou

2012-11-01

A continuous-flow integration process was developed for biodiesel production using rapeseed oil as feedstock, based on the countercurrent contact reaction between gas and liquid, separation of glycerol on-line and cyclic utilization of methanol. Orthogonal experimental design and response surface methodology were adopted to optimize technological parameters. A second-order polynomial model for the biodiesel yield was established and validated experimentally. The high determination coefficient (R(2)=98.98%) and the low probability value (Pr<0.0001) proved that the model matched the experimental data, and had a high predictive ability. The optimal technological parameters were: 81.5°C reaction temperature, 51.7cm fill height of catalyst KF/CaO and 105.98kPa system pressure. Under these conditions, the average yield of triplicate experiments was 93.7%, indicating the continuous-flow process has good potential in the manufacture of biodiesel. Copyright © 2012 Elsevier Ltd. All rights reserved.
Modeling and experimental validation of a Hybridized Energy Storage System for automotive applications

NASA Astrophysics Data System (ADS)

Fiorenti, Simone; Guanetti, Jacopo; Guezennec, Yann; Onori, Simona

2013-11-01

This paper presents the development and experimental validation of a dynamic model of a Hybridized Energy Storage System (HESS) consisting of a parallel connection of a lead acid (PbA) battery and double layer capacitors (DLCs), for automotive applications. The dynamic modeling of both the PbA battery and the DLC has been tackled via the equivalent electric circuit based approach. Experimental tests are designed for identification purposes. Parameters of the PbA battery model are identified as a function of state of charge and current direction, whereas parameters of the DLC model are identified for different temperatures. A physical HESS has been assembled at the Center for Automotive Research The Ohio State University and used as a test-bench to validate the model against a typical current profile generated for Start&Stop applications. The HESS model is then integrated into a vehicle simulator to assess the effects of the battery hybridization on the vehicle fuel economy and mitigation of the battery stress.
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...
Modeling Piezoelectric Stack Actuators for Control of Micromanipulation

NASA Technical Reports Server (NTRS)

Goldfarb, Michael; Celanovic, Nikola

1997-01-01

A nonlinear lumped-parameter model of a piezoelectric stack actuator has been developed to describe actuator behavior for purposes of control system analysis and design, and, in particular, for microrobotic applications requiring accurate position and/or force control. In formulating this model, the authors propose a generalized Maxwell resistive capacitor as a lumped-parameter causal representation of rate-independent hysteresis. Model formulation is validated by comparing results of numerical simulations to experimental data. Validation is followed by a discussion of model implications for purposes of actuator control.
Quasi-monoenergetic multi-GeV electron acceleration by optimizing the spatial and spectral phases of PW laser pulses

NASA Astrophysics Data System (ADS)

Shin, Junghun; Kim, Hyung Taek; Pathak, V. B.; Hojbota, Calin; Lee, Seong Ku; Sung, Jae Hee; Lee, Hwang Woon; Yoon, Jin Woo; Jeon, Cheonha; Nakajima, Kazuhisa; Sylla, F.; Lifschitz, A.; Guillaume, E.; Thaury, C.; Malka, V.; Nam, Chang Hee

2018-06-01

Generation of high-quality electron beams from laser wakefield acceleration requires optimization of initial experimental parameters. We present here the dependence of accelerated electron beams on the temporal profile of a driving PW laser, the density, and length of an interacting medium. We have optimized the initial parameters to obtain 2.8 GeV quasi-monoenergetic electrons which can be applied further to the development of compact electron accelerators and radiations sources.

Hydrogen maser frequency standard computer model for automatic cavity tuning servo simulations

NASA Technical Reports Server (NTRS)

Potter, P. D.; Finnie, C.

1978-01-01

A computer model of the JPL hydrogen maser frequency standard was developed. This model allows frequency stability data to be generated, as a function of various maser parameters, many orders of magnitude faster than these data can be obtained by experimental test. In particular, the maser performance as a function of the various automatic tuning servo parameters may be readily determined. Areas of discussion include noise sources, first-order autotuner loop, second-order autotuner loop, and a comparison of the loops.
Experimental Modal Analysis and Dynamic Component Synthesis. Volume 3. Modal Parameter Estimation

DTIC Science & Technology

1987-12-01

residues as well as poles is achieved. A singular value decomposition method has been used to develop a complex mode indicator function ( CMIF )[70...which can be used to help determine the number of poles before the analysis. The CMIF is formed by performing a singular value decomposition of all of...servo systems which can include both low and high damping modes. "• CMIF can be used to indicate close or repeated eigenvalues before the parameter
Simulation of a Diode Pumped Alkali Laser; a Three Level Numerical Approach

DTIC Science & Technology

2010-03-01

The model will be developed to aid in the research and design of new DPAL systems. A DPAL is a relatively new type of laser which relies on laser...DPAL system to the fidelity required to perform testing and investigation of new systems without the creation of an experimental apparatus. Hence, to...1 26.24 * 10-9 H*Lewis Hz*L; A32@85D = 0; A32@87D = 0; III. Parameters Printed by Mathematica for Students 65 III. Parameters A. Enviromental
Closed form expressions for crack mouth displacements and stress intensity factors for chevron notched short bar and short rod specimens based on experimental compliance measurements

NASA Technical Reports Server (NTRS)

Bubsey, R. T.; Orange, T. W.; Pierce, W. S.; Shannon, J. L., Jr.

1992-01-01

A set of equations are presented describing certain fracture mechanics parameters for chevron notch bar and rod specimens. They are developed by fitting compliance calibration data reported earlier. The equations present the various parameters in their most useful forms. The data encompass the entire range of the specimen geometries most commonly used. Their use will facilitate the testing and analysis of brittle metals, ceramics, and glasses.
Comparative physiology of mice and rats: radiometric measurement of vascular parameters in rodent tissues.

PubMed

Boswell, C Andrew; Mundo, Eduardo E; Ulufatu, Sheila; Bumbaca, Daniela; Cahaya, Hendry S; Majidy, Nicholas; Van Hoy, Marjie; Schweiger, Michelle G; Fielder, Paul J; Prabhu, Saileta; Khawli, Leslie A

2014-05-05

A solid understanding of physiology is beneficial in optimizing drug delivery and in the development of clinically predictive models of drug disposition kinetics. Although an abundance of data exists in the literature, it is often confounded by the use of various experimental methods and a lack of consensus in values from different sources. To help address this deficiency, we sought to directly compare three important vascular parameters at the tissue level using the same experimental approach in both mice and rats. Interstitial volume, vascular volume, and blood flow were radiometrically measured in selected harvested tissues of both species by extracellular marker infusion, red blood cell labeling, and rubidium chloride bolus distribution, respectively. The latter two parameters were further compared by whole-body autoradiographic imaging. An overall good interspecies agreement was observed for interstitial volume and blood flow on a weight-normalized basis in most tissues. In contrast, the measured vascular volumes of most rat tissues were higher than for mouse. Mice and rats, the two most commonly utilized rodent species in translational drug development, should not be considered as interchangeable in terms of vascular volume per gram of tissue. This will be particularly critical in biodistribution studies of drugs, as the amount of drug in the residual blood of tissues is often not negligible, especially for biologic drugs (e.g., antibodies) having long circulation half-lives. Physiologically based models of drug pharmacokinetics and/or pharmacodynamics also rely on accurate knowledge of biological parameters in tissues. For tissue parameters with poor interspecies agreement, the significance and possible drivers are discussed.
Atomistic Models of General Anesthetics for Use in in Silico Biological Studies

PubMed Central

2015-01-01

While small molecules have been used to induce anesthesia in a clinical setting for well over a century, a detailed understanding of the molecular mechanism remains elusive. In this study, we utilize ab initio calculations to develop a novel set of CHARMM-compatible parameters for the ubiquitous modern anesthetics desflurane, isoflurane, sevoflurane, and propofol for use in molecular dynamics (MD) simulations. The parameters generated were rigorously tested against known experimental physicochemical properties including dipole moment, density, enthalpy of vaporization, and free energy of solvation. In all cases, the anesthetic parameters were able to reproduce experimental measurements, signifying the robustness and accuracy of the atomistic models developed. The models were then used to study the interaction of anesthetics with the membrane. Calculation of the potential of mean force for inserting the molecules into a POPC bilayer revealed a distinct energetic minimum of 4–5 kcal/mol relative to aqueous solution at the level of the glycerol backbone in the membrane. The location of this minimum within the membrane suggests that anesthetics partition to the membrane prior to binding their ion channel targets, giving context to the Meyer–Overton correlation. Moreover, MD simulations of these drugs in the membrane give rise to computed membrane structural parameters, including atomic distribution, deuterium order parameters, dipole potential, and lateral stress profile, that indicate partitioning of anesthetics into the membrane at the concentration range studied here, which does not appear to perturb the structural integrity of the lipid bilayer. These results signify that an indirect, membrane-mediated mechanism of channel modulation is unlikely. PMID:25303275
Development and experimental verification of an intraocular scattering model

NASA Astrophysics Data System (ADS)

Jiang, Chong-Jhih; Jhong, Tian-Siang; Chen, Yi-Chun; Sun, Ching-Cherng

2011-10-01

An intraocular scattering model was constructed in human eye model and experimentally verified. According to the biometric data, the volumetric scattering in crystalline lens and diffusion at retina fundus were developed. The scattering parameters of cornea, including particle size and obscuration ratio, were varied to make the veiling luminance of the eye model matching the CIE disability glare general formula. By replacing the transparent lens with a cataractous lens, the disability glare curve of cataracts was generated and compared with that of transparent lenses. The MTF of the intraocular scattering model showed nice correspondence with the data measured by a double-pass experiment.
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.
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.
Developing Quantum Chemical and Polyparameter Models for Predicting Environmentally Significant Parameters for New Munition Compounds

DTIC Science & Technology

2017-05-31

Allen Se. TASK NUMBER Stanley I. Sandler Sf. WORK UNIT NUMBER 7. PERFORMING ORGANIZATION NAME(S) AND ADORESS(ES) 8. PERFORMING ORGANIZATION ...226 6.2.2.2 Soil Organic Carbon–Water pp–LFER ....................... 227 6.2.3 Experimental Data...
Computational Fluid Dynamics Simulation of Transport and Retention of Nanoparticle in Saturated Sand Filters

EPA Science Inventory

Experimental and computational investigation of the transport parameters of nano particles flowing through porous media has been made. The objective of this work was to develop a simulation capability applicable to the transport and retention of nanoparticles (NPs) in saturated p...
A Laboratory Experiment in Pharmaceutical Analysis: Analysis of Diazepam Tablets by High Pressure Liquid Chromatography

ERIC Educational Resources Information Center

Bailey, Leonard

1978-01-01

The experiment described was developed for the third-year course in inorganic and analytical pharmaceutical chemistry to provide students with "hands-on" experience with high pressure liquid chromatography. Assay procedures are given along with experimental parameters and student results. (LBH)
Control of experimental uncertainties in filtered Rayleigh scattering measurements

NASA Technical Reports Server (NTRS)

Forkey, Joseph N.; Finkelstein, N. D.; Lempert, Walter R.; Miles, Richard B.

1995-01-01

Filtered Rayleigh Scattering is a technique which allows for measurement of velocity, temperature, and pressure in unseeded flows, spatially resolved in 2-dimensions. We present an overview of the major components of a Filtered Rayleigh Scattering system. In particular, we develop and discuss a detailed theoretical model along with associated model parameters and related uncertainties. Based on this model, we then present experimental results for ambient room air and for a Mach 2 free jet, including spatially resolved measurements of velocity, temperature, and pressure.
Verification and Validation of Residual Stresses in Bi-Material Composite Rings

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

Nelson, Stacy Michelle; Hanson, Alexander Anthony; Briggs, Timothy

Process-induced residual stresses commonly occur in composite structures composed of dissimilar materials. These residual stresses form due to differences in the composite materials’ coefficients of thermal expansion and the shrinkage upon cure exhibited by polymer matrix materials. Depending upon the specific geometric details of the composite structure and the materials’ curing parameters, it is possible that these residual stresses could result in interlaminar delamination or fracture within the composite. Therefore, the consideration of potential residual stresses is important when designing composite parts and their manufacturing processes. However, the experimental determination of residual stresses in prototype parts can be time andmore » cost prohibitive. As an alternative to physical measurement, it is possible for computational tools to be used to quantify potential residual stresses in composite prototype parts. Therefore, the objectives of the presented work are to demonstrate a simplistic method for simulating residual stresses in composite parts, as well as the potential value of sensitivity and uncertainty quantification techniques during analyses for which material property parameters are unknown. Specifically, a simplified residual stress modeling approach, which accounts for coefficient of thermal expansion mismatch and polymer shrinkage, is implemented within the Sandia National Laboratories’ developed SIERRA/SolidMechanics code. Concurrent with the model development, two simple, bi-material structures composed of a carbon fiber/epoxy composite and aluminum, a flat plate and a cylinder, are fabricated and the residual stresses are quantified through the measurement of deformation. Then, in the process of validating the developed modeling approach with the experimental residual stress data, manufacturing process simulations of the two simple structures are developed and undergo a formal verification and validation process, including a mesh convergence study, sensitivity analysis, and uncertainty quantification. The simulations’ final results show adequate agreement with the experimental measurements, indicating the validity of a simple modeling approach, as well as a necessity for the inclusion of material parameter uncertainty in the final residual stress predictions.« less
Hydration thermodynamics of the SWy-1 montmorillonite saturated with alkali and alkaline-earth cations: A predictive model

NASA Astrophysics Data System (ADS)

Vieillard, Philippe; Blanc, Philippe; Fialips, Claire I.; Gailhanou, Hélène; Gaboreau, Stéphane

2011-10-01

The aim of the present work was to study the thermodynamic equilibria between water and a homo-ionic montmorillonite SWy-1 saturated by different cations. The choice of this smectite is justified by the large set of experimental data available from the literature for eight different interlayer cations: Na +, K +, Rb +, Cs +, Mg 2+, Ca 2+, Sr 2+, and Ba 2+. In particular, studies by Cases et al. (1992, 1997) and Bérend et al. (1995) are providing heat of adsorption data, pairs of desorption-adsorption isotherms, and information about the partition of adsorption-desorption water molecules between external surfaces and internal spaces. By calculating the effective amount of hydration water as the difference between the so-called gravimetric water and the surface covering water, a thermodynamic model was then developed, based on the concept of Ransom and Helgeson (1994) considering an asymmetric subregular binary solid solution between a fully hydrated and a anhydrous smectite. A set of six thermodynamic parameters ( ΔH∘hyd,S∘hyd and four Margules parameters) was extracted by a least square method from measurements of enthalpies of adsorption and paired adsorption-desorption isotherms for each interlayer cation. These six initial parameters were then used to determine a complete set of standard thermodynamic hydration parameters ( ΔH∘hyd,ΔG∘hyd,ΔS∘hyd, heat capacity, molar volume, and number of interlayer H 2O) and quantify, for each cation, the number of moles of hydration water molecules as a function of relative humidity and temperature. The validation of the standard state thermodynamic properties of hydration for each end member was carried out using three approaches: (1) a comparison with experimental isotherms obtained on hetero-ionic and homo-ionic SWy-1 smectite at different temperatures; (2) a comparison with the experimental integral enthalpy and entropy of hydration of the SWy-1 smectite; and (3) a comparison with experimental isotherms acquired on various smectites (Upton, MX80, Arizona) with different layer charges. Eventually, the present work demonstrates that, from a limited number of measurements, it is possible to provide the hydration thermodynamic parameters for hydrated smectites with different compositions and under different conditions of temperature and relative humidity, using the newly developed predictive model.
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.
On use of ZPR research reactors and associated instrumentation and measurement methods for reactor physics studies

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

Chauvin, J.P.; Blaise, P.; Lyoussi, A.

2015-07-01

The French atomic and alternative energies -CEA- is strongly involved in research and development programs concerning the use of nuclear energy as a clean and reliable source of energy and consequently is working on the present and future generation of reactors on various topics such as ageing plant management, optimization of the plutonium stockpile, waste management and innovative systems exploration. Core physics studies are an essential part of this comprehensive R and D effort. In particular, the Zero Power Reactor (ZPR) of CEA: EOLE, MINERVE and MASURCA play an important role in the validation of neutron (as well photon) physicsmore » calculation tools (codes and nuclear data). The experimental programs defined in the CEA's ZPR facilities aim at improving the calculation routes by reducing the uncertainties of the experimental databases. They also provide accurate data on innovative systems in terms of new materials (moderating and decoupling materials) and new concepts (ADS, ABWR, new MTR (e.g. JHR), GENIV) involving new fuels, absorbers and coolant materials. Conducting such interesting experimental R and D programs is based on determining and measuring main parameters of phenomena of interest to qualify calculation tools and nuclear data 'libraries'. Determining these parameters relies on the use of numerous and different experimental techniques using specific and appropriate instrumentation and detection tools. Main ZPR experimental programs at CEA, their objectives and challenges will be presented and discussed. Future development and perspectives regarding ZPR reactors and associated programs will be also presented. (authors)« less
Ammonium Removal from Aqueous Solutions by Clinoptilolite: Determination of Isotherm and Thermodynamic Parameters and Comparison of Kinetics by the Double Exponential Model and Conventional Kinetic Models

PubMed Central

Tosun, İsmail

2012-01-01

The adsorption isotherm, the adsorption kinetics, and the thermodynamic parameters of ammonium removal from aqueous solution by using clinoptilolite in aqueous solution was investigated in this study. Experimental data obtained from batch equilibrium tests have been analyzed by four two-parameter (Freundlich, Langmuir, Tempkin and Dubinin-Radushkevich (D-R)) and four three-parameter (Redlich-Peterson (R-P), Sips, Toth and Khan) isotherm models. D-R and R-P isotherms were the models that best fitted to experimental data over the other two- and three-parameter models applied. The adsorption energy (E) from the D-R isotherm was found to be approximately 7 kJ/mol for the ammonium-clinoptilolite system, thereby indicating that ammonium is adsorbed on clinoptilolite by physisorption. Kinetic parameters were determined by analyzing the nth-order kinetic model, the modified second-order model and the double exponential model, and each model resulted in a coefficient of determination (R2) of above 0.989 with an average relative error lower than 5%. A Double Exponential Model (DEM) showed that the adsorption process develops in two stages as rapid and slow phase. Changes in standard free energy (∆G°), enthalpy (∆H°) and entropy (∆S°) of ammonium-clinoptilolite system were estimated by using the thermodynamic equilibrium coefficients. PMID:22690177
Ammonium removal from aqueous solutions by clinoptilolite: determination of isotherm and thermodynamic parameters and comparison of kinetics by the double exponential model and conventional kinetic models.

PubMed

Tosun, Ismail

2012-03-01

The adsorption isotherm, the adsorption kinetics, and the thermodynamic parameters of ammonium removal from aqueous solution by using clinoptilolite in aqueous solution was investigated in this study. Experimental data obtained from batch equilibrium tests have been analyzed by four two-parameter (Freundlich, Langmuir, Tempkin and Dubinin-Radushkevich (D-R)) and four three-parameter (Redlich-Peterson (R-P), Sips, Toth and Khan) isotherm models. D-R and R-P isotherms were the models that best fitted to experimental data over the other two- and three-parameter models applied. The adsorption energy (E) from the D-R isotherm was found to be approximately 7 kJ/mol for the ammonium-clinoptilolite system, thereby indicating that ammonium is adsorbed on clinoptilolite by physisorption. Kinetic parameters were determined by analyzing the nth-order kinetic model, the modified second-order model and the double exponential model, and each model resulted in a coefficient of determination (R(2)) of above 0.989 with an average relative error lower than 5%. A Double Exponential Model (DEM) showed that the adsorption process develops in two stages as rapid and slow phase. Changes in standard free energy (∆G°), enthalpy (∆H°) and entropy (∆S°) of ammonium-clinoptilolite system were estimated by using the thermodynamic equilibrium coefficients.
Diode-pumped solid state lasers (DPSSLs) for Inertial Fusion Energy (IFE)

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

Krupke, W.F.

The status of diode-pumped, transverse-gas-flow cooled, Yb-S-FAP slab lasers is reviewed. Recently acquired experimental performance data are combined with a cost/performance IFE driver design code to define a cost-effective development path for IFE DPSSL drivers. Specific design parameters are described for the Mercury 100J/10 Hz, 1 kW system (first in the development scenario).

Error reduction and parameter optimization of the TAPIR method for fast T1 mapping.

PubMed

Zaitsev, M; Steinhoff, S; Shah, N J

2003-06-01

A methodology is presented for the reduction of both systematic and random errors in T(1) determination using TAPIR, a Look-Locker-based fast T(1) mapping technique. The relations between various sequence parameters were carefully investigated in order to develop recipes for choosing optimal sequence parameters. Theoretical predictions for the optimal flip angle were verified experimentally. Inversion pulse imperfections were identified as the main source of systematic errors in T(1) determination with TAPIR. An effective remedy is demonstrated which includes extension of the measurement protocol to include a special sequence for mapping the inversion efficiency itself. Copyright 2003 Wiley-Liss, Inc.
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.
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...
Experimental and analytical determination of stability parameters for a balloon tethered in a wind

NASA Technical Reports Server (NTRS)

Redd, L. T.; Bennett, R. M.; Bland, S. R.

1973-01-01

Experimental and analytical techniques for determining stability parameters for a balloon tethered in a steady wind are described. These techniques are applied to a particular 7.64-meter-long balloon, and the results are presented. The stability parameters of interest appear as coefficients in linearized stability equations and are derived from the various forces and moments acting on the balloon. In several cases the results from the experimental and analytical techniques are compared and suggestions are given as to which techniques are the most practical means of determining values for the stability parameters.
Theoretical and experimental determination of K - and L -shell x-ray relaxation parameters in Ni

NASA Astrophysics Data System (ADS)

Guerra, M.; Sampaio, J. M.; Parente, F.; Indelicato, P.; Hönicke, P.; Müller, M.; Beckhoff, B.; Marques, J. P.; Santos, J. P.

2018-04-01

Fluorescence yields (FY) for the Ni K and L shells were determined by a theoretical and an experimental group within the framework of the International Initiative on X-ray Fundamental Parameters (FPs) collaboration. Coster-Kronig (CK) parameters were also measured for the L shell of Ni. Theoretical calculations of the same parameters were performed using the Dirac-Fock method, including relativistic and QED corrections. The experimental values for the FY and CK were determined at the PTB laboratory in the synchrotron radiation facility BESSY II, Berlin, Germany, and are compared to the corresponding calculated values.
Improving plant bioaccumulation science through consistent reporting of experimental data.

PubMed

Fantke, Peter; Arnot, Jon A; Doucette, William J

2016-10-01

Experimental data and models for plant bioaccumulation of organic contaminants play a crucial role for assessing the potential human and ecological risks associated with chemical use. Plants are receptor organisms and direct or indirect vectors for chemical exposures to all other organisms. As new experimental data are generated they are used to improve our understanding of plant-chemical interactions that in turn allows for the development of better scientific knowledge and conceptual and predictive models. The interrelationship between experimental data and model development is an ongoing, never-ending process needed to advance our ability to provide reliable quality information that can be used in various contexts including regulatory risk assessment. However, relatively few standard experimental protocols for generating plant bioaccumulation data are currently available and because of inconsistent data collection and reporting requirements, the information generated is often less useful than it could be for direct applications in chemical assessments and for model development and refinement. We review existing testing guidelines, common data reporting practices, and provide recommendations for revising testing guidelines and reporting requirements to improve bioaccumulation knowledge and models. This analysis provides a list of experimental parameters that will help to develop high quality datasets and support modeling tools for assessing bioaccumulation of organic chemicals in plants and ultimately addressing uncertainty in ecological and human health risk assessments. Copyright © 2016 Elsevier Ltd. All rights reserved.
Research on hysteresis loop considering the prestress effect and electrical input dynamics for a giant magnetostrictive actuator

NASA Astrophysics Data System (ADS)

Zhu, Yuchuan; Yang, Xulei; Wereley, Norman M.

2016-08-01

In this paper, focusing on the application-oriented giant magnetostrictive material (GMM)-based electro-hydrostatic actuator, which features an applied magnetic field at high frequency and high amplitude, and concentrating on the static and dynamic characteristics of a giant magnetostrictive actuator (GMA) considering the prestress effect on the GMM rod and the electrical input dynamics involving the power amplifier and the inductive coil, a methodology for studying the static and dynamic characteristics of a GMA using the hysteresis loop as a tool is developed. A GMA that can display the preforce on the GMM rod in real-time is designed, and a magnetostrictive model dependent on the prestress on a GMM rod instead of the existing quadratic domain rotation model is proposed. Additionally, an electrical input dynamics model to excite GMA is developed according to the simplified circuit diagram, and the corresponding parameters are identified by the experimental data. A dynamic magnetization model with the eddy current effect is deduced according to the Jiles-Atherton model and the Maxwell equations. Next, all of the parameters, including the electrical input characteristics, the dynamic magnetization and the mechanical structure of GMA, are identified by the experimental data from the current response, magnetization response and displacement response, respectively. Finally, a comprehensive comparison between the model results and experimental data is performed, and the results show that the test data agree well with the presented model results. An analysis on the relation between the GMA displacement response and the parameters from the electrical input dynamics, magnetization dynamics and mechanical structural dynamics is performed.
Life on rock. Scaling down biological weathering in a new experimental design at Biosphere-2

NASA Astrophysics Data System (ADS)

Zaharescu, D. G.; Dontsova, K.; Burghelea, C. I.; Chorover, J.; Maier, R.; Perdrial, J. N.

2012-12-01

Biological colonization and weathering of bedrock on Earth is a major driver of landscape and ecosystem development, its effects reaching out into other major systems such climate and geochemical cycles of elements. In order to understand how microbe-plant-mycorrhizae communities interact with bedrock in the first phases of mineral weathering we developed a novel experimental design in the Desert Biome at Biosphere-2, University of Arizona (U.S.A). This presentation will focus on the development of the experimental setup. Briefly, six enclosed modules were designed to hold 288 experimental columns that will accommodate 4 rock types and 6 biological treatments. Each module is developed on 3 levels. A lower volume, able to withstand the weight of both, rock material and the rest of the structure, accommodates the sampling elements. A middle volume, houses the experimental columns in a dark chamber. A clear, upper section forms the habitat exposed to sunlight. This volume is completely sealed form exterior and it allows a complete control of its air and water parameters. All modules are connected in parallel with a double air purification system that delivers a permanent air flow. This setup is expected to provide a model experiment, able to test important processes in the interaction rock-life at grain-to- molecular scale.
Quantifying and predicting Drosophila larvae crawling phenotypes

NASA Astrophysics Data System (ADS)

Günther, Maximilian N.; Nettesheim, Guilherme; Shubeita, George T.

2016-06-01

The fruit fly Drosophila melanogaster is a widely used model for cell biology, development, disease, and neuroscience. The fly’s power as a genetic model for disease and neuroscience can be augmented by a quantitative description of its behavior. Here we show that we can accurately account for the complex and unique crawling patterns exhibited by individual Drosophila larvae using a small set of four parameters obtained from the trajectories of a few crawling larvae. The values of these parameters change for larvae from different genetic mutants, as we demonstrate for fly models of Alzheimer’s disease and the Fragile X syndrome, allowing applications such as genetic or drug screens. Using the quantitative model of larval crawling developed here we use the mutant-specific parameters to robustly simulate larval crawling, which allows estimating the feasibility of laborious experimental assays and aids in their design.
Effect of primary and secondary parameters on analytical estimation of effective thermal conductivity of two phase materials using unit cell approach

NASA Astrophysics Data System (ADS)

S, Chidambara Raja; P, Karthikeyan; Kumaraswamidhas, L. A.; M, Ramu

2018-05-01

Most of the thermal design systems involve two phase materials and analysis of such systems requires detailed understanding of the thermal characteristics of the two phase material. This article aimed to develop geometry dependent unit cell approach model by considering the effects of all primary parameters (conductivity ratio and concentration) and secondary parameters (geometry, contact resistance, natural convection, Knudsen and radiation) for the estimation of effective thermal conductivity of two-phase materials. The analytical equations have been formulated based on isotherm approach for 2-D and 3-D spatially periodic medium. The developed models are validated with standard models and suited for all kind of operating conditions. The results have shown substantial improvement compared to the existing models and are in good agreement with the experimental data.
Generalized equation of state for refrigerants

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

Kim, Y.; Sonntag, R.E.; Borgnakke, C.

1995-08-01

A new four-parameter generalized equation of state with three reference fluids has been developed for predicting thermodynamic properties of the methane and ethane-series refrigerants. The four chosen characteristic parameters are critical temperature, critical pressure, acentric factor, and the polarity factor proposed in this work. The three selected reference fluids are argon, n-butane and 1,1-difluoroethane (R-152a). When the results of this work are compared with the refrigerant experimental data, they show significant improvement over Lee and Kesler (1975) and Wu and Stiel (1985). If the characteristic parameters of the refrigerants of interest are not available, an estimation method based on themore » group contribution method is given. The ideal vapor-compression refrigeration cycle was studied using the newly developed generalized equation of state to verify the accuracy of this work.« less
Modeling and Tool Wear in Routing of CFRP

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

Iliescu, D.; Fernandez, A.; Gutierrez-Orrantia, M. E.

2011-01-17

This paper presents the prediction and evaluation of feed force in routing of carbon composite material. In order to extend tool life and improve quality of the machined surface, a better understanding of uncoated and coated tool behaviors is required. This work describes (1) the optimization of the geometry of multiple teeth tools minimizing the tool wear and the feed force, (2) the optimization of tool coating and (3) the development of a phenomenological model between the feed force, the routing parameters and the tool wear. The experimental results indicate that the feed rate, the cutting speed and the toolmore » wear are the most significant factors affecting the feed force. In the case of multiple teeth tools, a particular geometry with 14 teeth right helix right cut and 11 teeth left helix right cut gives the best results. A thick AlTiN coating or a diamond coating can dramatically improve the tool life while minimizing the axial force, roughness and delamination. A wear model has then been developed based on an abrasive behavior of the tool. The model links the feed rate to the tool geometry parameters (tool diameter), to the process parameters (feed rate, cutting speed and depth of cut) and to the wear. The model presented has been verified by experimental tests.« less
Analysis of the methods for assessing socio-economic development level of urban areas

NASA Astrophysics Data System (ADS)

Popova, Olga; Bogacheva, Elena

2017-01-01

The present paper provides a targeted analysis of current approaches (ratings) in the assessment of socio-economic development of urban areas. The survey focuses on identifying standardized methodologies to area assessment techniques formation that will result in developing the system of intelligent monitoring, dispatching, building management, scheduling and effective management of an administrative-territorial unit. This system is characterized by complex hierarchical structure, including tangible and intangible properties (parameters, attributes). Investigating the abovementioned methods should increase the administrative-territorial unit's attractiveness for investors and residence. The research aims at studying methods for evaluating socio-economic development level of the Russian Federation territories. Experimental and theoretical territory estimating methods were revealed. Complex analysis of the characteristics of the areas was carried out and evaluation parameters were determined. Integral indicators (resulting rating criteria values) as well as the overall rankings (parameters, characteristics) were analyzed. The inventory of the most widely used partial indicators (parameters, characteristics) of urban areas was revealed. The resulting criteria of rating values homogeneity were verified and confirmed by determining the root mean square deviation, i.e. divergence of indices. The principal shortcomings of assessment methodologies were revealed. The assessment methods with enhanced effectiveness and homogeneity were proposed.
An experimental and theoretical study of structural damping in compliant foil bearings

NASA Technical Reports Server (NTRS)

Ku, C.-P. Roger

1994-01-01

This paper describes an experimental investigation into the dynamic characteristics of corrugated foil (bump foil) strips used in compliant surface foil bearings. This study provided and opportunity to quantify the structural damping of bump foil strips. The experimental data were compared to results obtained by a theoretical model developed earlier. The effects of bearing design parameters, such as static loads, dynamic displacement amplitudes, bump configurations, pivot locations, surface coatings, and lubricant were also evaluated. An understanding of the dynamic characteristics of bump foil strips resulting from this work offers designers a means for enhancing the design of high-performance compliant foil bearings.
A Comprehensive Enzyme Kinetic Exercise for Biochemistry

ERIC Educational Resources Information Center

Barton, Janice S.

2011-01-01

This article describes a comprehensive treatment of experimental enzyme kinetics strongly coupled to electronic data acquisition and use of spreadsheets to organize data and perform linear and nonlinear least-squares analyses, all in a manner that promotes development of important reasoning skills. Kinetic parameters are obtained for the stable…
Transient Response of a PEM Fuel Cell Representing Variable Load for a Moving Vehicle on Urban Roads

DOT National Transportation Integrated Search

2001-01-01

Three-dimensional numerical simulation of transient response of a Polymer Electrolyte Membrane (PEM) fuel cell subjected to a variable load is developed. The model parameters are typical of experimental cell for a 10-cm2 reactive area with serpentine...
Issues of planning trajectory of parallel robots taking into account zones of singularity

NASA Astrophysics Data System (ADS)

Rybak, L. A.; Khalapyan, S. Y.; Gaponenko, E. V.

2018-03-01

A method for determining the design characteristics of a parallel robot necessary to provide specified parameters of its working space that satisfy the controllability requirement is developed. The experimental verification of the proposed method was carried out using an approximate planar 3-RPR mechanism.
SPECIFYING PHYSIOLOGICAL PARAMETERS FOR THE KINETICS OF INHALED TOLUENE IN RATS PERFORMING THE VISUAL SIGNAL DETECTION TASK (SDT).

EPA Science Inventory

A physiologically-based pharmacokinetic (PBPK) model is being developed to estimate the dosimetry of toluene in rats inhaling the VOC under various experimental conditions. The effects of physical activity are currently being estimated utilizing a three-step process. First, we d...
Density functional theory and phytochemical study of 8-hydroxyisodiospyrin

NASA Astrophysics Data System (ADS)

Ullah, Zakir; Ata-ur-Rahman; Fazl-i-Sattar; Rauf, Abdur; Yaseen, Muhammad; Hassan, Waseem; Tariq, Muhammad; Ayub, Khurshid; Tahir, Asif Ali; Ullah, Habib

2015-09-01

Comprehensive theoretical and experimental studies of a natural product, 8-hydroxyisodiospyrin (HDO) have been carried out. Based on the correlation of experimental and theoretical data, an appropriate computational model was developed for obtaining the electronic, spectroscopic, and thermodynamic parameters of HDO. First of all, the exact structure of HDO is confirmed from the nice correlation of theory and experiment, prior to determination of its electroactive nature. Hybrid density functional theory (DFT) is employed for all theoretical simulations. The experimental and predicted IR and UV-vis spectra [B3LYP/6-31+G(d,p) level of theory] have excellent correlation. Inter-molecular non-covalent interaction of HDO with different gases such as NH3, CO2, CO, H2O is investigated through geometrical counterpoise (gCP) i.e., B3LYP-gCP-D3/6-31G∗ method. Furthermore, the inter-molecular interaction is also supported by geometrical parameters, electronic properties, thermodynamic parameters and charge analysis. All these characterizations have corroborated each other and confirmed the electroactive nature (non-covalent interaction ability) of HDO for the studied gases. Electronic properties such as Ionization Potential (IP), Electron Affinities (EA), electrostatic potential (ESP), density of states (DOS), HOMO, LUMO, and band gap of HDO have been estimated for the first time theoretically.
Revised Parameters for the AMOEBA Polarizable Atomic Multipole Water Model

PubMed Central

Pande, Vijay S.; Head-Gordon, Teresa; Ponder, Jay W.

2016-01-01

A set of improved parameters for the AMOEBA polarizable atomic multipole water model is developed. The protocol uses an automated procedure, ForceBalance, to adjust model parameters to enforce agreement with ab initio-derived results for water clusters and experimentally obtained data for a variety of liquid phase properties across a broad temperature range. The values reported here for the new AMOEBA14 water model represent a substantial improvement over the previous AMOEBA03 model. The new AMOEBA14 water model accurately predicts the temperature of maximum density and qualitatively matches the experimental density curve across temperatures ranging from 249 K to 373 K. Excellent agreement is observed for the AMOEBA14 model in comparison to a variety of experimental properties as a function of temperature, including the 2nd virial coefficient, enthalpy of vaporization, isothermal compressibility, thermal expansion coefficient and dielectric constant. The viscosity, self-diffusion constant and surface tension are also well reproduced. In comparison to high-level ab initio results for clusters of 2 to 20 water molecules, the AMOEBA14 model yields results similar to the AMOEBA03 and the direct polarization iAMOEBA models. With advances in computing power, calibration data, and optimization techniques, we recommend the use of the AMOEBA14 water model for future studies employing a polarizable water model. PMID:25683601

Development of a united-atom force field for 1-ethyl-3-methylimidazolium tetracyanoborate ionic liquid

NASA Astrophysics Data System (ADS)

Koller, Thomas; Ramos, Javier; Garrido, Nuno M.; Fröba, Andreas P.; Economou, Ioannis G.

2012-06-01

Three united-atom (UA) force fields are presented for the ionic liquid 1-ethyl-3-methylimidazolium tetracyanoborate, abbreviated as [EMIM]+[B(CN)4]-. The atomistic charges were calculated based on the restrained electrostatic potential (RESP) of the isolated ions (abbreviated as force field 1, FF-1) and the ensemble averaged RESP (EA-RESP) method from the most stable ion pair configurations obtained by MP2/6-31G*+ calculations (abbreviated as FF-2 and FF-3). Non-electrostatic parameters for both ions were taken from the literature and Lennard-Jones parameters for the [B(CN)4]- anion were fitted in two different ways to reproduce the experimental liquid density. Molecular dynamics (MD) simulations were performed over a wide temperature range to identify the effect of the electrostatic and non-electrostatic potential on the liquid density and on transport properties such as self-diffusion coefficient and viscosity. Predicted liquid densities for the three parameter sets deviate less than 0.5% from experimental data. The molecular mobility with FF-2 and FF-3 using reduced charge sets is appreciably faster than that obtained with FF-1. FF-3 presents a refined non-electrostatic potential that leads to a notable improvement in both transport properties when compared to experimental data.
Scaling relation for high-temperature biodiesel surrogate ignition delay times

DOE PAGES

Campbell, Matthew F.; Davidson, David F.; Hanson, Ronald K.

2015-10-11

High-temperature Arrhenius ignition delay time correlations are useful for revealing the underlying parameter dependencies of combustion models, for simplifying and optimizing combustion mechanisms for use in engine simulations, for scaling experimental data to new conditions for comparison purposes, and for guiding in experimental design. Here, we have developed a scaling relationship for Fatty Acid Methyl Ester (FAME) ignition time data taken at high temperatures in 4%O 2/Ar mixtures behind reflected shocks using an aerosol shock tube: τ ign [ms] = 2.24 x 10 -6 [ms] (P [atm]) -.41 (more » $$\\phi$$) 0.30(C n) -.61 x exp $$ \\left(\\frac{37.1 [kcal/mol]}{\\hat{R}_u [kcal / mol K] T [K]}\\right) $$ In addition, we have combined our ignition delay time data for methyl decanoate, methyl palmitate, methyl oleate, and methyl linoleate with other experimental results in the literature in order to derive fuel-specific oxygen-mole-fraction scaling parameters for these surrogates. In conclusion, in this article, we discuss the significance of the parameter values, compare our correlation to others found in the literature for different classes of fuels, and contrast the above expression’s performance with correlations obtained using leading FAME kinetic models in 4%O 2/Ar mixtures.« less
Small-signal modeling with direct parameter extraction for impact ionization effect in high-electron-mobility transistors

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

Guan, He; Lv, Hongliang; Guo, Hui, E-mail: hguan@stu.xidian.edu.cn

2015-11-21

Impact ionization affects the radio-frequency (RF) behavior of high-electron-mobility transistors (HEMTs), which have narrow-bandgap semiconductor channels, and this necessitates complex parameter extraction procedures for HEMT modeling. In this paper, an enhanced small-signal equivalent circuit model is developed to investigate the impact ionization, and an improved method is presented in detail for direct extraction of intrinsic parameters using two-step measurements in low-frequency and high-frequency regimes. The practicability of the enhanced model and the proposed direct parameter extraction method are verified by comparing the simulated S-parameters with published experimental data from an InAs/AlSb HEMT operating over a wide frequency range. The resultsmore » demonstrate that the enhanced model with optimal intrinsic parameter values that were obtained by the direct extraction approach can effectively characterize the effects of impact ionization on the RF performance of HEMTs.« less
Analysis and experimental kinematics of a skid-steering wheeled robot based on a laser scanner sensor.

PubMed

Wang, Tianmiao; Wu, Yao; Liang, Jianhong; Han, Chenhao; Chen, Jiao; Zhao, Qiteng

2015-04-24

Skid-steering mobile robots are widely used because of their simple mechanism and robustness. However, due to the complex wheel-ground interactions and the kinematic constraints, it is a challenge to understand the kinematics and dynamics of such a robotic platform. In this paper, we develop an analysis and experimental kinematic scheme for a skid-steering wheeled vehicle based-on a laser scanner sensor. The kinematics model is established based on the boundedness of the instantaneous centers of rotation (ICR) of treads on the 2D motion plane. The kinematic parameters (the ICR coefficient , the path curvature variable and robot speed ), including the effect of vehicle dynamics, are introduced to describe the kinematics model. Then, an exact but costly dynamic model is used and the simulation of this model's stationary response for the vehicle shows a qualitative relationship for the specified parameters and . Moreover, the parameters of the kinematic model are determined based-on a laser scanner localization experimental analysis method with a skid-steering robotic platform, Pioneer P3-AT. The relationship between the ICR coefficient and two physical factors is studied, i.e., the radius of the path curvature and the robot speed . An empirical function-based relationship between the ICR coefficient of the robot and the path parameters is derived. To validate the obtained results, it is empirically demonstrated that the proposed kinematics model significantly improves the dead-reckoning performance of this skid-steering robot.
Model of head-neck joint fast movements in the frontal plane.

PubMed

Pedrocchi, A; Ferrigno, G

2004-06-01

The objective of this work is to develop a model representing the physiological systems driving fast head movements in frontal plane. All the contributions occurring mechanically in the head movement are considered: damping, stiffness, physiological limit of range of motion, gravitational field, and muscular torques due to voluntary activation as well as to stretch reflex depending on fusal afferences. Model parameters are partly derived from the literature, when possible, whereas undetermined block parameters are determined by optimising the model output, fitting to real kinematics data acquired by a motion capture system in specific experimental set-ups. The optimisation for parameter identification is performed by genetic algorithms. Results show that the model represents very well fast head movements in the whole range of inclination in the frontal plane. Such a model could be proposed as a tool for transforming kinematics data on head movements in 'neural equivalent data', especially for assessing head control disease and properly planning the rehabilitation process. In addition, the use of genetic algorithms seems to fit well the problem of parameter identification, allowing for the use of a very simple experimental set-up and granting model robustness.
Theoretical and Field Experimental Investigation of an Arrayed Solar Thermoelectric Flat-Plate Generator

NASA Astrophysics Data System (ADS)

Rehman, Naveed ur; Siddiqui, Mubashir Ali

2018-05-01

This work theoretically and experimentally investigated the performance of an arrayed solar flat-plate thermoelectric generator (ASFTEG). An analytical model, based on energy balances, was established for determining load voltage, power output and overall efficiency of ASFTEGs. An array consists of TEG devices (or modules) connected electrically in series and operating in closed-circuit mode with a load. The model takes into account the distinct temperature difference across each module, which is a major feature of this model. Parasitic losses have also been included in the model for realistic results. With the given set of simulation parameters, an ASFTEG consisting of four commercially available Bi2Te3 modules had a predicted load voltage of 200 mV and generated 3546 μW of electric power output. Predictions from the model were in good agreement with field experimental outcomes from a prototype ASFTEG, which was developed for validation purposes. Later, the model was simulated to maximize the performance of the ASFTEG by adjusting the thermal and electrical design of the system. Optimum values of design parameters were evaluated and discussed in detail. Beyond the current limitations associated with improvements in thermoelectric materials, this study will eventually lead to the successful development of portable roof-top renewable TEGs.
Room-Temperature Charpy Impact Property of 3D-Printed 15-5 Stainless Steel

NASA Astrophysics Data System (ADS)

Sagar, Sugrim; Zhang, Yi; Wu, Linmin; Park, Hye-Young; Lee, Je-Hyun; Jung, Yeon-Gil; Zhang, Jing

2018-01-01

In this study, the room-temperature Charpy impact property of 3D-printed 15-5 stainless steel was investigated by a combined experimental and finite element modeling approach. The experimentally measured impact energy is 10.85 ± 1.20 J/cm2, which is comparable to the conventionally wrought and non-heat treated 15-5 stainless steel. In parallel to the impact test experiment, a finite element model using the Johnson-Cook material model with damage parameters was developed to simulate the impact test. The simulated impact energy is 10.46 J/cm2, which is in good agreement with the experimental data. The fracture surface from the experimentally tested specimen suggests that the 3D-printed specimens undergo predominately brittle fracture.
Survey of engineering computational methods and experimental programs for estimating supersonic missile aerodynamic characteristics

NASA Technical Reports Server (NTRS)

Sawyer, W. C.; Allen, J. M.; Hernandez, G.; Dillenius, M. F. E.; Hemsch, M. J.

1982-01-01

This paper presents a survey of engineering computational methods and experimental programs used for estimating the aerodynamic characteristics of missile configurations. Emphasis is placed on those methods which are suitable for preliminary design of conventional and advanced concepts. An analysis of the technical approaches of the various methods is made in order to assess their suitability to estimate longitudinal and/or lateral-directional characteristics for different classes of missile configurations. Some comparisons between the predicted characteristics and experimental data are presented. These comparisons are made for a large variation in flow conditions and model attitude parameters. The paper also presents known experimental research programs developed for the specific purpose of validating analytical methods and extending the capability of data-base programs.
Wire rope tension control of hoisting systems using a robust nonlinear adaptive backstepping control scheme.

PubMed

Zhu, Zhen-Cai; Li, Xiang; Shen, Gang; Zhu, Wei-Dong

2018-01-01

This paper concerns wire rope tension control of a double-rope winding hoisting system (DRWHS), which consists of a hoisting system employed to realize a transportation function and an electro-hydraulic servo system utilized to adjust wire rope tensions. A dynamic model of the DRWHS is developed in which parameter uncertainties and external disturbances are considered. A comparison between simulation results using the dynamic model and experimental results using a double-rope winding hoisting experimental system is given in order to demonstrate accuracy of the dynamic model. In order to improve the wire rope tension coordination control performance of the DRWHS, a robust nonlinear adaptive backstepping controller (RNABC) combined with a nonlinear disturbance observer (NDO) is proposed. Main features of the proposed combined controller are: (1) using the RNABC to adjust wire rope tensions with consideration of parameter uncertainties, whose parameters are designed online by adaptive laws derived from Lyapunov stability theory to guarantee the control performance and stability of the closed-loop system; and (2) introducing the NDO to deal with uncertain external disturbances. In order to demonstrate feasibility and effectiveness of the proposed controller, experimental studies have been conducted on the DRWHS controlled by an xPC rapid prototyping system. Experimental results verify that the proposed controller exhibits excellent performance on wire rope tension coordination control compared with a conventional proportional-integral (PI) controller and adaptive backstepping controller. Copyright © 2017 ISA. All rights reserved.
SBSI: an extensible distributed software infrastructure for parameter estimation in systems biology.

PubMed

Adams, Richard; Clark, Allan; Yamaguchi, Azusa; Hanlon, Neil; Tsorman, Nikos; Ali, Shakir; Lebedeva, Galina; Goltsov, Alexey; Sorokin, Anatoly; Akman, Ozgur E; Troein, Carl; Millar, Andrew J; Goryanin, Igor; Gilmore, Stephen

2013-03-01

Complex computational experiments in Systems Biology, such as fitting model parameters to experimental data, can be challenging to perform. Not only do they frequently require a high level of computational power, but the software needed to run the experiment needs to be usable by scientists with varying levels of computational expertise, and modellers need to be able to obtain up-to-date experimental data resources easily. We have developed a software suite, the Systems Biology Software Infrastructure (SBSI), to facilitate the parameter-fitting process. SBSI is a modular software suite composed of three major components: SBSINumerics, a high-performance library containing parallelized algorithms for performing parameter fitting; SBSIDispatcher, a middleware application to track experiments and submit jobs to back-end servers; and SBSIVisual, an extensible client application used to configure optimization experiments and view results. Furthermore, we have created a plugin infrastructure to enable project-specific modules to be easily installed. Plugin developers can take advantage of the existing user-interface and application framework to customize SBSI for their own uses, facilitated by SBSI's use of standard data formats. All SBSI binaries and source-code are freely available from http://sourceforge.net/projects/sbsi under an Apache 2 open-source license. The server-side SBSINumerics runs on any Unix-based operating system; both SBSIVisual and SBSIDispatcher are written in Java and are platform independent, allowing use on Windows, Linux and Mac OS X. The SBSI project website at http://www.sbsi.ed.ac.uk provides documentation and tutorials.
Aerothermal modeling, phase 1. Volume 2: Experimental data

NASA Technical Reports Server (NTRS)

Kenworthy, M. J.; Correa, S. M.; Burrus, D. L.

1983-01-01

The experimental test effort is discussed. The test data are presented. The compilation is divided into sets representing each of the 18 experimental configurations tested. A detailed description of each configuration, and plots of the temperature difference ratio parameter or pattern factor parameter calculated from the test data are also provided.
Analytical investigation of a three-dimensional FRP-retrofitted reinforced concrete structure's behaviour under earthquake load effect in ANSYS program

NASA Astrophysics Data System (ADS)

Altun, F.; Birdal, F.

2012-12-01

In this study, a 1:3 scaled, three-storey, FRP (Fiber Reinforced Polymer) retrofitted reinforced concrete model structure whose behaviour and crack development were identified experimentally in the laboratory was investigated analytically. Determination of structural behaviour under earthquake load is only possible in a laboratory environment with a specific scale, as carrying out structural experiments is difficult due to the evaluation of increased parameter numbers and because it requires an expensive laboratory setup. In an analytical study, structure was modelled using ANSYS Finite Element Package Program (2007), and its behaviour and crack development were revealed. When experimental difficulties are taken into consideration, analytical investigation of structure behaviour is more economic and much faster. At the end of the study, experimental results of structural behaviour and crack development were compared with analytical data. It was concluded that in a model structure retrofitted with FRP, the behaviour and cracking model can be determined without testing by determining the reasons for the points where analytical results are not converged with experimental data. Better understanding of structural behaviour is analytically enabled with the study.
Summary of the DREAM8 Parameter Estimation Challenge: Toward Parameter Identification for Whole-Cell Models.

PubMed

Karr, Jonathan R; Williams, Alex H; Zucker, Jeremy D; Raue, Andreas; Steiert, Bernhard; Timmer, Jens; Kreutz, Clemens; Wilkinson, Simon; Allgood, Brandon A; Bot, Brian M; Hoff, Bruce R; Kellen, Michael R; Covert, Markus W; Stolovitzky, Gustavo A; Meyer, Pablo

2015-05-01

Whole-cell models that explicitly represent all cellular components at the molecular level have the potential to predict phenotype from genotype. However, even for simple bacteria, whole-cell models will contain thousands of parameters, many of which are poorly characterized or unknown. New algorithms are needed to estimate these parameters and enable researchers to build increasingly comprehensive models. We organized the Dialogue for Reverse Engineering Assessments and Methods (DREAM) 8 Whole-Cell Parameter Estimation Challenge to develop new parameter estimation algorithms for whole-cell models. We asked participants to identify a subset of parameters of a whole-cell model given the model's structure and in silico "experimental" data. Here we describe the challenge, the best performing methods, and new insights into the identifiability of whole-cell models. We also describe several valuable lessons we learned toward improving future challenges. Going forward, we believe that collaborative efforts supported by inexpensive cloud computing have the potential to solve whole-cell model parameter estimation.
Parametric studies and characterization measurements of x-ray lithography mask membranes

NASA Astrophysics Data System (ADS)

Wells, Gregory M.; Chen, Hector T. H.; Engelstad, Roxann L.; Palmer, Shane R.

1991-08-01

The techniques used in the experimental characterization of thin membranes are considered for their potential use as mask blanks for x-ray lithography. Among the parameters of interest for this evaluation are the film's stress, fracture strength, uniformity of thickness, absorption in the x-ray and visible spectral regions and the modulus and grain structure of the material. The experimental techniques used for measuring these properties are described. The accuracy and applicability of the assumptions used to derive the formulas that relate the experimental measurements to the parameters of interest are considered. Experimental results for silicon carbide and diamond films are provided. Another characteristic needed for an x-ray mask carrier is radiation stability. The number of x-ray exposures expected to be performed in the lifetime of an x-ray mask on a production line is on the order of 107. The dimensional stability requirements placed on the membranes during this period are discussed. Interferometric techniques that provide sufficient sensitivity for these stability measurements are described. A comparison is made between the different techniques that have been developed in term of the information that each technique provides, the accuracy of the various techniques, and the implementation issues that are involved with each technique.
Electrodeless plasma acceleration system using rotating magnetic field method

NASA Astrophysics Data System (ADS)

Furukawa, T.; Takizawa, K.; Kuwahara, D.; Shinohara, S.

2017-11-01

We have proposed Rotating Magnetic Field (RMF) acceleration method as one of electrodeless plasma accelerations. In our experimental scheme, plasma generated by an rf (radio frequency) antenna, is accelerated by RMF antennas, which consist of two-pair, opposed, facing coils, and these antennas are outside of a discharge tube. Therefore, there is no wear of electrodes, degrading the propulsion performance. Here, we will introduce our RMF acceleration system developed, including the experimental device, e.g., external antennas, a tapered quartz tube, a vacuum chamber, external magnets, and a pumping system. In addition, we can change RMF operation parameters (RMF applied current IRMF and RMF current phase difference ϕ, focusing on RMF current frequency fRMF) by adjusting matching conditions of RMF, and investigate the dependencies on plasma parameters (electron density ne and ion velocity vi); e.g., higher increases of ne and vi (˜360 % and 55 %, respectively) than previous experimental results were obtained by decreasing fRMF from 5 MHz to 0.7 MHz, whose RMF penetration condition was better according to Milroy's expression. Moreover, time-varying component of RMF has been measured directly to survey the penetration condition experimentally.
Numerical analysis and experimental studies on solenoid common rail diesel injector with worn control valve

NASA Astrophysics Data System (ADS)

Krivtsov, S. N.; Yakimov, I. V.; Ozornin, S. P.

2018-03-01

A mathematical model of a solenoid common rail fuel injector was developed. Its difference from existing models is control valve wear simulation. A common rail injector of 0445110376 Series (Cummins ISf 2.8 Diesel engine) produced by Bosch Company was used as a research object. Injector parameters (fuel delivery and back leakage) were determined by calculation and experimental methods. GT-Suite model average R2 is 0.93 which means that it predicts the injection rate shape very accurately (nominal and marginal technical conditions of an injector). Numerical analysis and experimental studies showed that control valve wear increases back leakage and fuel delivery (especially at 160 MPa). The regression models for determining fuel delivery and back leakage effects on fuel pressure and energizing time were developed (for nominal and marginal technical conditions).
PSO-based PID Speed Control of Traveling Wave Ultrasonic Motor under Temperature Disturbance

NASA Astrophysics Data System (ADS)

Arifin Mat Piah, Kamal; Yusoff, Wan Azhar Wan; Azmi, Nur Iffah Mohamed; Romlay, Fadhlur Rahman Mohd

2018-03-01

Traveling wave ultrasonic motors (TWUSMs) have a time varying dynamics characteristics. Temperature rise in TWUSMs remains a problem particularly in sustaining optimum speed performance. In this study, a PID controller is used to control the speed of TWUSM under temperature disturbance. Prior to developing the controller, a linear approximation model which relates the speed to the temperature is developed based on the experimental data. Two tuning methods are used to determine PID parameters: conventional Ziegler-Nichols(ZN) and particle swarm optimization (PSO). The comparison of speed control performance between PSO-PID and ZN-PID is presented. Modelling, simulation and experimental work is carried out utilizing Fukoku-Shinsei USR60 as the chosen TWUSM. The results of the analyses and experimental work reveal that PID tuning using PSO-based optimization has the advantage over the conventional Ziegler-Nichols method.
Optimal experimental design for parameter estimation of a cell signaling model.

PubMed

Bandara, Samuel; Schlöder, Johannes P; Eils, Roland; Bock, Hans Georg; Meyer, Tobias

2009-11-01

Differential equation models that describe the dynamic changes of biochemical signaling states are important tools to understand cellular behavior. An essential task in building such representations is to infer the affinities, rate constants, and other parameters of a model from actual measurement data. However, intuitive measurement protocols often fail to generate data that restrict the range of possible parameter values. Here we utilized a numerical method to iteratively design optimal live-cell fluorescence microscopy experiments in order to reveal pharmacological and kinetic parameters of a phosphatidylinositol 3,4,5-trisphosphate (PIP(3)) second messenger signaling process that is deregulated in many tumors. The experimental approach included the activation of endogenous phosphoinositide 3-kinase (PI3K) by chemically induced recruitment of a regulatory peptide, reversible inhibition of PI3K using a kinase inhibitor, and monitoring of the PI3K-mediated production of PIP(3) lipids using the pleckstrin homology (PH) domain of Akt. We found that an intuitively planned and established experimental protocol did not yield data from which relevant parameters could be inferred. Starting from a set of poorly defined model parameters derived from the intuitively planned experiment, we calculated concentration-time profiles for both the inducing and the inhibitory compound that would minimize the predicted uncertainty of parameter estimates. Two cycles of optimization and experimentation were sufficient to narrowly confine the model parameters, with the mean variance of estimates dropping more than sixty-fold. Thus, optimal experimental design proved to be a powerful strategy to minimize the number of experiments needed to infer biological parameters from a cell signaling assay.
A Microfluidics and Agent-Based Modeling Framework for Investigating Spatial Organization in Bacterial Colonies: The Case of Pseudomonas Aeruginosa and H1-Type VI Secretion Interactions.

PubMed

Wilmoth, Jared L; Doak, Peter W; Timm, Andrea; Halsted, Michelle; Anderson, John D; Ginovart, Marta; Prats, Clara; Portell, Xavier; Retterer, Scott T; Fuentes-Cabrera, Miguel

2018-01-01

The factors leading to changes in the organization of microbial assemblages at fine spatial scales are not well characterized or understood. However, they are expected to guide the succession of community development and function toward specific outcomes that could impact human health and the environment. In this study, we put forward a combined experimental and agent-based modeling framework and use it to interpret unique spatial organization patterns of H1-Type VI secretion system (T6SS) mutants of P . aeruginosa under spatial confinement. We find that key parameters, such as T6SS-mediated cell contact and lysis, spatial localization, relative species abundance, cell density and local concentrations of growth substrates and metabolites are influenced by spatial confinement. The model, written in the accessible programming language NetLogo, can be adapted to a variety of biological systems of interest and used to simulate experiments across a broad parameter space. It was implemented and run in a high-throughput mode by deploying it across multiple CPUs, with each simulation representing an individual well within a high-throughput microwell array experimental platform. The microfluidics and agent-based modeling framework we present in this paper provides an effective means by which to connect experimental studies in microbiology to model development. The work demonstrates progress in coupling experimental results to simulation while also highlighting potential sources of discrepancies between real-world experiments and idealized models.
A Microfluidics and Agent-Based Modeling Framework for Investigating Spatial Organization in Bacterial Colonies: The Case of Pseudomonas Aeruginosa and H1-Type VI Secretion Interactions

PubMed Central

Wilmoth, Jared L.; Doak, Peter W.; Timm, Andrea; Halsted, Michelle; Anderson, John D.; Ginovart, Marta; Prats, Clara; Portell, Xavier; Retterer, Scott T.; Fuentes-Cabrera, Miguel

2018-01-01

The factors leading to changes in the organization of microbial assemblages at fine spatial scales are not well characterized or understood. However, they are expected to guide the succession of community development and function toward specific outcomes that could impact human health and the environment. In this study, we put forward a combined experimental and agent-based modeling framework and use it to interpret unique spatial organization patterns of H1-Type VI secretion system (T6SS) mutants of P. aeruginosa under spatial confinement. We find that key parameters, such as T6SS-mediated cell contact and lysis, spatial localization, relative species abundance, cell density and local concentrations of growth substrates and metabolites are influenced by spatial confinement. The model, written in the accessible programming language NetLogo, can be adapted to a variety of biological systems of interest and used to simulate experiments across a broad parameter space. It was implemented and run in a high-throughput mode by deploying it across multiple CPUs, with each simulation representing an individual well within a high-throughput microwell array experimental platform. The microfluidics and agent-based modeling framework we present in this paper provides an effective means by which to connect experimental studies in microbiology to model development. The work demonstrates progress in coupling experimental results to simulation while also highlighting potential sources of discrepancies between real-world experiments and idealized models. PMID:29467721

Geometrical quality evaluation in laser cutting of Inconel-718 sheet by using Taguchi based regression analysis and particle swarm optimization

NASA Astrophysics Data System (ADS)

Shrivastava, Prashant Kumar; Pandey, Arun Kumar

2018-03-01

The Inconel-718 is one of the most demanding advanced engineering materials because of its superior quality. The conventional machining techniques are facing many problems to cut intricate profiles on these materials due to its minimum thermal conductivity, minimum elastic property and maximum chemical affinity at magnified temperature. The laser beam cutting is one of the advanced cutting method that may be used to achieve the geometrical accuracy with more precision by the suitable management of input process parameters. In this research work, the experimental investigation during the pulsed Nd:YAG laser cutting of Inconel-718 has been carried out. The experiments have been conducted by using the well planned orthogonal array L27. The experimentally measured values of different quality characteristics have been used for developing the second order regression models of bottom kerf deviation (KD), bottom kerf width (KW) and kerf taper (KT). The developed models of different quality characteristics have been utilized as a quality function for single-objective optimization by using particle swarm optimization (PSO) method. The optimum results obtained by the proposed hybrid methodology have been compared with experimental results. The comparison of optimized results with the experimental results shows that an individual improvement of 75%, 12.67% and 33.70% in bottom kerf deviation, bottom kerf width, and kerf taper has been observed. The parametric effects of different most significant input process parameters on quality characteristics have also been discussed.
Influence of the piezoelectric parameters on the dynamics of an active rotor

NASA Astrophysics Data System (ADS)

Gawryluk, Jarosław; Mitura, Andrzej; Teter, Andrzej

2018-01-01

The main aim of this paper is an experimental and numerical analysis of the dynamic behavior of an active rotor with three composite blades. The study focuses on developing an effective FE modeling technique of a macro fiber composite element (denoted as MFC or active element) for the dynamic tests of active structures. The active rotor under consideration consists of a hub with a drive shaft, three grips and three glass-epoxy laminate blades with embedded active elements. A simplified FE model of the macro fiber composite element exhibiting the d33 piezoelectric effect is developed using the Abaqus software package. The discussed transducer is modeled as quasi-homogeneous piezoelectric material, and voltage is applied to the opposite faces of the element. In this case, the effective (equivalent) piezoelectric constant d33* is specified. Both static and dynamic tests are performed to verify the proposed model. First, static deflections of the active blade caused by the voltage signal are determined by numerical and experimental analyses. Next, a numerical modal analysis of the active rotor is performed. The eigenmodes and corresponding eigenfrequencies are determined by the Lanczos method. The influence of the model parameters (i.e., the effective piezoelectric constant d33 *, voltage signal, angular velocity) on the dynamics of the active rotor is examined. Finally, selected numerical results are validated in experimental tests. The experimental findings demonstrate that the structural stiffening effect caused by the active element strongly depends on the value of the effective piezoelectric constant.
An evolutionary firefly algorithm for the estimation of nonlinear biological model parameters.

PubMed

Abdullah, Afnizanfaizal; Deris, Safaai; Anwar, Sohail; Arjunan, Satya N V

2013-01-01

The development of accurate computational models of biological processes is fundamental to computational systems biology. These models are usually represented by mathematical expressions that rely heavily on the system parameters. The measurement of these parameters is often difficult. Therefore, they are commonly estimated by fitting the predicted model to the experimental data using optimization methods. The complexity and nonlinearity of the biological processes pose a significant challenge, however, to the development of accurate and fast optimization methods. We introduce a new hybrid optimization method incorporating the Firefly Algorithm and the evolutionary operation of the Differential Evolution method. The proposed method improves solutions by neighbourhood search using evolutionary procedures. Testing our method on models for the arginine catabolism and the negative feedback loop of the p53 signalling pathway, we found that it estimated the parameters with high accuracy and within a reasonable computation time compared to well-known approaches, including Particle Swarm Optimization, Nelder-Mead, and Firefly Algorithm. We have also verified the reliability of the parameters estimated by the method using an a posteriori practical identifiability test.
An Evolutionary Firefly Algorithm for the Estimation of Nonlinear Biological Model Parameters

PubMed Central

Abdullah, Afnizanfaizal; Deris, Safaai; Anwar, Sohail; Arjunan, Satya N. V.

2013-01-01

The development of accurate computational models of biological processes is fundamental to computational systems biology. These models are usually represented by mathematical expressions that rely heavily on the system parameters. The measurement of these parameters is often difficult. Therefore, they are commonly estimated by fitting the predicted model to the experimental data using optimization methods. The complexity and nonlinearity of the biological processes pose a significant challenge, however, to the development of accurate and fast optimization methods. We introduce a new hybrid optimization method incorporating the Firefly Algorithm and the evolutionary operation of the Differential Evolution method. The proposed method improves solutions by neighbourhood search using evolutionary procedures. Testing our method on models for the arginine catabolism and the negative feedback loop of the p53 signalling pathway, we found that it estimated the parameters with high accuracy and within a reasonable computation time compared to well-known approaches, including Particle Swarm Optimization, Nelder-Mead, and Firefly Algorithm. We have also verified the reliability of the parameters estimated by the method using an a posteriori practical identifiability test. PMID:23469172
An adaptive learning control system for large flexible structures

NASA Technical Reports Server (NTRS)

Thau, F. E.

1985-01-01

The objective of the research has been to study the design of adaptive/learning control systems for the control of large flexible structures. In the first activity an adaptive/learning control methodology for flexible space structures was investigated. The approach was based on using a modal model of the flexible structure dynamics and an output-error identification scheme to identify modal parameters. In the second activity, a least-squares identification scheme was proposed for estimating both modal parameters and modal-to-actuator and modal-to-sensor shape functions. The technique was applied to experimental data obtained from the NASA Langley beam experiment. In the third activity, a separable nonlinear least-squares approach was developed for estimating the number of excited modes, shape functions, modal parameters, and modal amplitude and velocity time functions for a flexible structure. In the final research activity, a dual-adaptive control strategy was developed for regulating the modal dynamics and identifying modal parameters of a flexible structure. A min-max approach was used for finding an input to provide modal parameter identification while not exceeding reasonable bounds on modal displacement.
HEART: an automated beat-to-beat cardiovascular analysis package using Matlab.

PubMed

Schroeder, M J Mark J; Perreault, Bill; Ewert, D L Daniel L; Koenig, S C Steven C

2004-07-01

A computer program is described for beat-to-beat analysis of cardiovascular parameters from high-fidelity pressure and flow waveforms. The Hemodynamic Estimation and Analysis Research Tool (HEART) is a post-processing analysis software package developed in Matlab that enables scientists and clinicians to document, load, view, calibrate, and analyze experimental data that have been digitally saved in ascii or binary format. Analysis routines include traditional hemodynamic parameter estimates as well as more sophisticated analyses such as lumped arterial model parameter estimation and vascular impedance frequency spectra. Cardiovascular parameter values of all analyzed beats can be viewed and statistically analyzed. An attractive feature of the HEART program is the ability to analyze data with visual quality assurance throughout the process, thus establishing a framework toward which Good Laboratory Practice (GLP) compliance can be obtained. Additionally, the development of HEART on the Matlab platform provides users with the flexibility to adapt or create study specific analysis files according to their specific needs. Copyright 2003 Elsevier Ltd.
Photovoltaic Grid-Connected Modeling and Characterization Based on Experimental Results.

PubMed

Humada, Ali M; Hojabri, Mojgan; Sulaiman, Mohd Herwan Bin; Hamada, Hussein M; Ahmed, Mushtaq N

2016-01-01

A grid-connected photovoltaic (PV) system operates under fluctuated weather condition has been modeled and characterized based on specific test bed. A mathematical model of a small-scale PV system has been developed mainly for residential usage, and the potential results have been simulated. The proposed PV model based on three PV parameters, which are the photocurrent, IL, the reverse diode saturation current, Io, the ideality factor of diode, n. Accuracy of the proposed model and its parameters evaluated based on different benchmarks. The results showed that the proposed model fitting the experimental results with high accuracy compare to the other models, as well as the I-V characteristic curve. The results of this study can be considered valuable in terms of the installation of a grid-connected PV system in fluctuated climatic conditions.
Virtual parameter-estimation experiments in Bioprocess-Engineering education.

PubMed

Sessink, Olivier D T; Beeftink, Hendrik H; Hartog, Rob J M; Tramper, Johannes

2006-05-01

Cell growth kinetics and reactor concepts constitute essential knowledge for Bioprocess-Engineering students. Traditional learning of these concepts is supported by lectures, tutorials, and practicals: ICT offers opportunities for improvement. A virtual-experiment environment was developed that supports both model-related and experimenting-related learning objectives. Students have to design experiments to estimate model parameters: they choose initial conditions and 'measure' output variables. The results contain experimental error, which is an important constraint for experimental design. Students learn from these results and use the new knowledge to re-design their experiment. Within a couple of hours, students design and run many experiments that would take weeks in reality. Usage was evaluated in two courses with questionnaires and in the final exam. The faculties involved in the two courses are convinced that the experiment environment supports essential learning objectives well.
Photovoltaic Grid-Connected Modeling and Characterization Based on Experimental Results

PubMed Central

Humada, Ali M.; Hojabri, Mojgan; Sulaiman, Mohd Herwan Bin; Hamada, Hussein M.; Ahmed, Mushtaq N.

2016-01-01

A grid-connected photovoltaic (PV) system operates under fluctuated weather condition has been modeled and characterized based on specific test bed. A mathematical model of a small-scale PV system has been developed mainly for residential usage, and the potential results have been simulated. The proposed PV model based on three PV parameters, which are the photocurrent, IL, the reverse diode saturation current, Io, the ideality factor of diode, n. Accuracy of the proposed model and its parameters evaluated based on different benchmarks. The results showed that the proposed model fitting the experimental results with high accuracy compare to the other models, as well as the I-V characteristic curve. The results of this study can be considered valuable in terms of the installation of a grid-connected PV system in fluctuated climatic conditions. PMID:27035575
High-efficiency 3 W/40 K single-stage pulse tube cryocooler for space application

NASA Astrophysics Data System (ADS)

Zhang, Ankuo; Wu, Yinong; Liu, Shaoshuai; Liu, Biqiang; Yang, Baoyu

2018-03-01

Temperature is an extremely important parameter for space-borne infrared detectors. To develop a quantum-well infrared photodetector (QWIP), a high-efficiency Stirling-type pulse tube cryocooler (PTC) has been designed, manufactured and experimentally investigated for providing a large cooling power at 40 K cold temperature. Simulated and experimental studies were carried out to analyse the effects of low temperature on different energy flows and losses, and the performance of the PTC was improved by optimizing components and parameters such as regenerator and operating frequency. A no-load lowest temperature of 26.2 K could be reached at a frequency of 51 Hz, and the PTC could efficiently offer cooling power of 3 W at 40 K cold temperature when the input power was 225 W. The efficiency relative to the Carnot efficiency was approximately 8.4%.
Nonlinear acoustics experimental characterization of microstructure evolution in Inconel 617

NASA Astrophysics Data System (ADS)

Yao, Xiaochu; Liu, Yang; Lissenden, Cliff J.

2014-02-01

Inconel 617 is a candidate material for the intermediate heat exchanger in a very high temperature reactor for the next generation nuclear power plant. This application will require the material to withstand fatigue-ratcheting interaction at temperatures up to 950°C. Therefore nondestructive evaluation and structural health monitoring are important capabilities. Acoustic nonlinearity (which is quantified in terms of a material parameter, the acoustic nonlinearity parameter, β) has been proven to be sensitive to microstructural changes in material. This research develops a robust experimental procedure to track the evolution of damage precursors in laboratory tested Inconel 617 specimens using ultrasonic bulk waves. The results from the acoustic non-linear tests are compared with stereoscope surface damage results. Therefore, the relationship between acoustic nonlinearity and microstructural evaluation can be clearly demonstrated for the specimens tested.
Development of a quantum mechanics-based free-energy perturbation method: use in the calculation of relative solvation free energies.

PubMed

Reddy, M Rami; Singh, U C; Erion, Mark D

2004-05-26

Free-energy perturbation (FEP) is considered the most accurate computational method for calculating relative solvation and binding free-energy differences. Despite some success in applying FEP methods to both drug design and lead optimization, FEP calculations are rarely used in the pharmaceutical industry. One factor limiting the use of FEP is its low throughput, which is attributed in part to the dependence of conventional methods on the user's ability to develop accurate molecular mechanics (MM) force field parameters for individual drug candidates and the time required to complete the process. In an attempt to find an FEP method that could eventually be automated, we developed a method that uses quantum mechanics (QM) for treating the solute, MM for treating the solute surroundings, and the FEP method for computing free-energy differences. The thread technique was used in all transformations and proved to be essential for the successful completion of the calculations. Relative solvation free energies for 10 structurally diverse molecular pairs were calculated, and the results were in close agreement with both the calculated results generated by conventional FEP methods and the experimentally derived values. While considerably more CPU demanding than conventional FEP methods, this method (QM/MM-based FEP) alleviates the need for development of molecule-specific MM force field parameters and therefore may enable future automation of FEP-based calculations. Moreover, calculation accuracy should be improved over conventional methods, especially for calculations reliant on MM parameters derived in the absence of experimental data.
Modeling spray/puddle dissolution processes for deep-ultraviolet acid-hardened resists

NASA Astrophysics Data System (ADS)

Hutchinson, John M.; Das, Siddhartha; Qian, Qi-De; Gaw, Henry T.

1993-10-01

A study of the dissolution behavior of acid-hardened resists (AHR) was undertaken for spray and spray/puddle development processes. The Site Services DSM-100 end-point detection system is used to measure both spray and puddle dissolution data for a commercially available deep-ultraviolet AHR resist, Shipley SNR-248. The DSM allows in situ measurement of dissolution rate on the wafer chuck and hence allows parameter extraction for modeling spray and puddle processes. The dissolution data for spray and puddle processes was collected across a range of exposure dose and postexposure bake temperature. The development recipe was varied to decouple the contribution of the spray and puddle modes to the overall dissolution characteristics. The mechanisms involved in spray versus puddle dissolution and the impact of spray versus puddle dissolution on process performance metrics has been investigated. We used the effective-dose-modeling approach and the measurement capability of the DSM-100 and developed a lumped parameter model for acid-hardened resists that incorporates the effects of exposure, postexposure bake temperature and time, and development condition. The PARMEX photoresist-modeling program is used to determine parameters for the spray and for the puddle process. The lumped parameter AHR model developed showed good agreement with experimental data.
Dynamical modeling of microRNA action on the protein translation process

PubMed Central

2010-01-01

Background Protein translation is a multistep process which can be represented as a cascade of biochemical reactions (initiation, ribosome assembly, elongation, etc.), the rate of which can be regulated by small non-coding microRNAs through multiple mechanisms. It remains unclear what mechanisms of microRNA action are the most dominant: moreover, many experimental reports deliver controversial messages on what is the concrete mechanism actually observed in the experiment. Nissan and Parker have recently demonstrated that it might be impossible to distinguish alternative biological hypotheses using the steady state data on the rate of protein synthesis. For their analysis they used two simple kinetic models of protein translation. Results In contrary to the study by Nissan and Parker, we show that dynamical data allow discriminating some of the mechanisms of microRNA action. We demonstrate this using the same models as developed by Nissan and Parker for the sake of comparison but the methods developed (asymptotology of biochemical networks) can be used for other models. We formulate a hypothesis that the effect of microRNA action is measurable and observable only if it affects the dominant system (generalization of the limiting step notion for complex networks) of the protein translation machinery. The dominant system can vary in different experimental conditions that can partially explain the existing controversy of some of the experimental data. Conclusions Our analysis of the transient protein translation dynamics shows that it gives enough information to verify or reject a hypothesis about a particular molecular mechanism of microRNA action on protein translation. For multiscale systems only that action of microRNA is distinguishable which affects the parameters of dominant system (critical parameters), or changes the dominant system itself. Dominant systems generalize and further develop the old and very popular idea of limiting step. Algorithms for identifying dominant systems in multiscale kinetic models are straightforward but not trivial and depend only on the ordering of the model parameters but not on their concrete values. Asymptotic approach to kinetic models allows putting in order diverse experimental observations in complex situations when many alternative hypotheses co-exist. PMID:20181238
Dynamical modeling of microRNA action on the protein translation process.

PubMed

Zinovyev, Andrei; Morozova, Nadya; Nonne, Nora; Barillot, Emmanuel; Harel-Bellan, Annick; Gorban, Alexander N

2010-02-24

Protein translation is a multistep process which can be represented as a cascade of biochemical reactions (initiation, ribosome assembly, elongation, etc.), the rate of which can be regulated by small non-coding microRNAs through multiple mechanisms. It remains unclear what mechanisms of microRNA action are the most dominant: moreover, many experimental reports deliver controversial messages on what is the concrete mechanism actually observed in the experiment. Nissan and Parker have recently demonstrated that it might be impossible to distinguish alternative biological hypotheses using the steady state data on the rate of protein synthesis. For their analysis they used two simple kinetic models of protein translation. In contrary to the study by Nissan and Parker, we show that dynamical data allow discriminating some of the mechanisms of microRNA action. We demonstrate this using the same models as developed by Nissan and Parker for the sake of comparison but the methods developed (asymptotology of biochemical networks) can be used for other models. We formulate a hypothesis that the effect of microRNA action is measurable and observable only if it affects the dominant system (generalization of the limiting step notion for complex networks) of the protein translation machinery. The dominant system can vary in different experimental conditions that can partially explain the existing controversy of some of the experimental data. Our analysis of the transient protein translation dynamics shows that it gives enough information to verify or reject a hypothesis about a particular molecular mechanism of microRNA action on protein translation. For multiscale systems only that action of microRNA is distinguishable which affects the parameters of dominant system (critical parameters), or changes the dominant system itself. Dominant systems generalize and further develop the old and very popular idea of limiting step. Algorithms for identifying dominant systems in multiscale kinetic models are straightforward but not trivial and depend only on the ordering of the model parameters but not on their concrete values. Asymptotic approach to kinetic models allows putting in order diverse experimental observations in complex situations when many alternative hypotheses co-exist.
Hubert: Software for efficient analysis of in-situ nuclear forward scattering experiments

NASA Astrophysics Data System (ADS)

Vrba, Vlastimil; Procházka, Vít; Smrčka, David; Miglierini, Marcel

2016-10-01

Combination of short data acquisition time and local investigation of a solid state through hyperfine parameters makes nuclear forward scattering (NFS) a unique experimental technique for investigation of fast processes. However, the total number of acquired NFS time spectra may be very high. Therefore an efficient way of the data evaluation is needed. In this paper we report the development of Hubert software package as a response to the rapidly developing field of in-situ NFS experiments. Hubert offers several useful features for data files processing and could significantly shorten the evaluation time by using a simple connection between the neighboring time spectra through their input and output parameter values.
Matching experimental and three dimensional numerical models for structural vibration problems with uncertainties

NASA Astrophysics Data System (ADS)

Langer, P.; Sepahvand, K.; Guist, C.; Bär, J.; Peplow, A.; Marburg, S.

2018-03-01

The simulation model which examines the dynamic behavior of real structures needs to address the impact of uncertainty in both geometry and material parameters. This article investigates three-dimensional finite element models for structural dynamics problems with respect to both model and parameter uncertainties. The parameter uncertainties are determined via laboratory measurements on several beam-like samples. The parameters are then considered as random variables to the finite element model for exploring the uncertainty effects on the quality of the model outputs, i.e. natural frequencies. The accuracy of the output predictions from the model is compared with the experimental results. To this end, the non-contact experimental modal analysis is conducted to identify the natural frequency of the samples. The results show a good agreement compared with experimental data. Furthermore, it is demonstrated that geometrical uncertainties have more influence on the natural frequencies compared to material parameters and material uncertainties are about two times higher than geometrical uncertainties. This gives valuable insights for improving the finite element model due to various parameter ranges required in a modeling process involving uncertainty.
Numerical Simulation of Roller Levelling using SIMULIA Abaqus

NASA Astrophysics Data System (ADS)

Trusov, K. A.; Mishnev, P. A.; Kopaev, O. V.; Nushtaev, D. V.

2017-12-01

The finite element (FE) 2D-model of roller levelling process is developed in the SIMILIA Abaqus. The objective of this paper is development FE-model and investigation of adjustable parameters of roller leveller together with elastic-plastic material behaviour. Properties of the material were determined experimentally. After levelling, the strip had a residual stress distribution. The longbow after cutting is predicted too. Recommendation for practical use were proposed.
Free energy landscape for the binding process of Huperzine A to acetylcholinesterase

PubMed Central

Bai, Fang; Xu, Yechun; Chen, Jing; Liu, Qiufeng; Gu, Junfeng; Wang, Xicheng; Ma, Jianpeng; Li, Honglin; Onuchic, José N.; Jiang, Hualiang

2013-01-01

Drug-target residence time (t = 1/koff, where koff is the dissociation rate constant) has become an important index in discovering better- or best-in-class drugs. However, little effort has been dedicated to developing computational methods that can accurately predict this kinetic parameter or related parameters, koff and activation free energy of dissociation (). In this paper, energy landscape theory that has been developed to understand protein folding and function is extended to develop a generally applicable computational framework that is able to construct a complete ligand-target binding free energy landscape. This enables both the binding affinity and the binding kinetics to be accurately estimated. We applied this method to simulate the binding event of the anti-Alzheimer’s disease drug (−)−Huperzine A to its target acetylcholinesterase (AChE). The computational results are in excellent agreement with our concurrent experimental measurements. All of the predicted values of binding free energy and activation free energies of association and dissociation deviate from the experimental data only by less than 1 kcal/mol. The method also provides atomic resolution information for the (−)−Huperzine A binding pathway, which may be useful in designing more potent AChE inhibitors. We expect this methodology to be widely applicable to drug discovery and development. PMID:23440190
Free energy landscape for the binding process of Huperzine A to acetylcholinesterase.

PubMed

Bai, Fang; Xu, Yechun; Chen, Jing; Liu, Qiufeng; Gu, Junfeng; Wang, Xicheng; Ma, Jianpeng; Li, Honglin; Onuchic, José N; Jiang, Hualiang

2013-03-12

Drug-target residence time (t = 1/k(off), where k(off) is the dissociation rate constant) has become an important index in discovering better- or best-in-class drugs. However, little effort has been dedicated to developing computational methods that can accurately predict this kinetic parameter or related parameters, k(off) and activation free energy of dissociation (ΔG(off)≠). In this paper, energy landscape theory that has been developed to understand protein folding and function is extended to develop a generally applicable computational framework that is able to construct a complete ligand-target binding free energy landscape. This enables both the binding affinity and the binding kinetics to be accurately estimated. We applied this method to simulate the binding event of the anti-Alzheimer's disease drug (-)-Huperzine A to its target acetylcholinesterase (AChE). The computational results are in excellent agreement with our concurrent experimental measurements. All of the predicted values of binding free energy and activation free energies of association and dissociation deviate from the experimental data only by less than 1 kcal/mol. The method also provides atomic resolution information for the (-)-Huperzine A binding pathway, which may be useful in designing more potent AChE inhibitors. We expect this methodology to be widely applicable to drug discovery and development.

BioPreDyn-bench: a suite of benchmark problems for dynamic modelling in systems biology.

PubMed

Villaverde, Alejandro F; Henriques, David; Smallbone, Kieran; Bongard, Sophia; Schmid, Joachim; Cicin-Sain, Damjan; Crombach, Anton; Saez-Rodriguez, Julio; Mauch, Klaus; Balsa-Canto, Eva; Mendes, Pedro; Jaeger, Johannes; Banga, Julio R

2015-02-20

Dynamic modelling is one of the cornerstones of systems biology. Many research efforts are currently being invested in the development and exploitation of large-scale kinetic models. The associated problems of parameter estimation (model calibration) and optimal experimental design are particularly challenging. The community has already developed many methods and software packages which aim to facilitate these tasks. However, there is a lack of suitable benchmark problems which allow a fair and systematic evaluation and comparison of these contributions. Here we present BioPreDyn-bench, a set of challenging parameter estimation problems which aspire to serve as reference test cases in this area. This set comprises six problems including medium and large-scale kinetic models of the bacterium E. coli, baker's yeast S. cerevisiae, the vinegar fly D. melanogaster, Chinese Hamster Ovary cells, and a generic signal transduction network. The level of description includes metabolism, transcription, signal transduction, and development. For each problem we provide (i) a basic description and formulation, (ii) implementations ready-to-run in several formats, (iii) computational results obtained with specific solvers, (iv) a basic analysis and interpretation. This suite of benchmark problems can be readily used to evaluate and compare parameter estimation methods. Further, it can also be used to build test problems for sensitivity and identifiability analysis, model reduction and optimal experimental design methods. The suite, including codes and documentation, can be freely downloaded from the BioPreDyn-bench website, https://sites.google.com/site/biopredynbenchmarks/ .
Cell-free transmission of human adenovirus by passive mass transfer in cell culture simulated in a computer model.

PubMed

Yakimovich, Artur; Gumpert, Heidi; Burckhardt, Christoph J; Lütschg, Verena A; Jurgeit, Andreas; Sbalzarini, Ivo F; Greber, Urs F

2012-09-01

Viruses spread between cells, tissues, and organisms by cell-free and cell-cell transmissions. Both mechanisms enhance disease development, but it is difficult to distinguish between them. Here, we analyzed the transmission mode of human adenovirus (HAdV) in monolayers of epithelial cells by wet laboratory experimentation and a computer simulation. Using live-cell fluorescence microscopy and replication-competent HAdV2 expressing green fluorescent protein, we found that the spread of infection invariably occurred after cell lysis. It was affected by convection and blocked by neutralizing antibodies but was independent of second-round infections. If cells were overlaid with agarose, convection was blocked and round plaques developed around lytic infected cells. Infected cells that did not lyse did not give rise to plaques, highlighting the importance of cell-free transmission. Key parameters for cell-free virus transmission were the time from infection to lysis, the dose of free viruses determining infection probability, and the diffusion of single HAdV particles in aqueous medium. With these parameters, we developed an in silico model using multiscale hybrid dynamics, cellular automata, and particle strength exchange. This so-called white box model is based on experimentally determined parameters and reproduces viral infection spreading as a function of the local concentration of free viruses. These analyses imply that the extent of lytic infections can be determined by either direct plaque assays or can be predicted by calculations of virus diffusion constants and modeling.
A novel approach for extracting viscoelastic parameters of living cells through combination of inverse finite element simulation and Atomic Force Microscopy.

PubMed

Wei, Fanan; Yang, Haitao; Liu, Lianqing; Li, Guangyong

2017-03-01

Dynamic mechanical behaviour of living cells has been described by viscoelasticity. However, quantitation of the viscoelastic parameters for living cells is far from sophisticated. In this paper, combining inverse finite element (FE) simulation with Atomic Force Microscope characterization, we attempt to develop a new method to evaluate and acquire trustworthy viscoelastic index of living cells. First, influence of the experiment parameters on stress relaxation process is assessed using FE simulation. As suggested by the simulations, cell height has negligible impact on shape of the force-time curve, i.e. the characteristic relaxation time; and the effect originates from substrate can be totally eliminated when stiff substrate (Young's modulus larger than 3 GPa) is used. Then, so as to develop an effective optimization strategy for the inverse FE simulation, the parameters sensitivity evaluation is performed for Young's modulus, Poisson's ratio, and characteristic relaxation time. With the experiment data obtained through typical stress relaxation measurement, viscoelastic parameters are extracted through the inverse FE simulation by comparing the simulation results and experimental measurements. Finally, reliability of the acquired mechanical parameters is verified with different load experiments performed on the same cell.
Path loss variation of on-body UWB channel in the frequency bands of IEEE 802.15.6 standard.

PubMed

Goswami, Dayananda; Sarma, Kanak C; Mahanta, Anil

2016-06-01

The wireless body area network (WBAN) has gaining tremendous attention among researchers and academicians for its envisioned applications in healthcare service. Ultra wideband (UWB) radio technology is considered as excellent air interface for communication among body area network devices. Characterisation and modelling of channel parameters are utmost prerequisite for the development of reliable communication system. The path loss of on-body UWB channel for each frequency band defined in IEEE 802.15.6 standard is experimentally determined. The parameters of path loss model are statistically determined by analysing measurement data. Both the line-of-sight and non-line-of-sight channel conditions are considered in the measurement. Variations of parameter values with the size of human body are analysed along with the variation of parameter values with the surrounding environments. It is observed that the parameters of the path loss model vary with the frequency band as well as with the body size and surrounding environment. The derived parameter values are specific to the particular frequency bands of IEEE 802.15.6 standard, which will be useful for the development of efficient UWB WBAN system.
Development of an automated experimental setup for the study of ionic-exchange kinetics. Application to the ionic adsorption, equilibrium attainment and dissolution of apatite compounds.

PubMed

Thomann, J M; Gasser, P; Bres, E F; Voegel, J C; Gramain, P

1990-02-01

An ion-selective electrode and microcomputer-based experimental setup for the study of ionic-exchange kinetics between a powdered solid and the solution is described. The equipment is composed of easily available commercial devices and a data acquisition and regularization computer program is presented. The system, especially developed to investigate the ionic adsorption, equilibrium attainment and dissolution of hard mineralized tissues, provides good reliable results by taking into account the volume changes of the reacting solution and the electrode behaviour under different experimental conditions, and by avoiding carbonation of the solution. A second computer program, using the regularized data and the experimental parameters, calculates the quantities of protons consumed and calcium released in the case of equilibrium attainment and dissolution of apatite-like compounds. Finally, typical examples of ion-exchange and dissolution kinetics under constant pH of enamel and synthetic hydroxyapatite are examined.
Constitutive formulations for the mechanical investigation of colonic tissues.

PubMed

Carniel, Emanuele Luigi; Gramigna, Vera; Fontanella, Chiara Giulia; Stefanini, Cesare; Natali, Arturo N

2014-05-01

A constitutive framework is provided for the characterization of the mechanical behavior of colonic tissues, as a fundamental tool for the development of numerical models of the colonic structures. The constitutive analysis is performed by a multidisciplinary approach that requires the cooperation between experimental and computational competences. The preliminary investigation pertains to the review of the tissues histology. The complex structural configuration of the tissues and the specific distributions of fibrous elements entail the nonlinear mechanical behavior and the anisotropic response. The identification of the mechanical properties requires to perform mechanical tests according to different loading situations, as different loading directions. Because of the typical functionality of colon structures, the tissues mechanics is investigated by tensile tests, which are performed on taenia coli and haustra specimens from fresh pig colons. Accounting for the histological investigation and the results from the mechanical tests, a specific hyperelastic framework is provided within the theory of fiber-reinforced composite materials. Preliminary analytical formulations are defined to identify the constitutive parameters by the inverse analysis of the experimental tests. Finite element models of the specimens are developed accounting for the actual configuration of the colon structures to verify the quality of the results. The good agreement between experimental and numerical model results suggests the reliability of the constitutive formulations and parameters. Finally, the developed constitutive analysis makes it possible to identify the mechanical behavior and properties of the different colonic tissues. Copyright © 2013 Wiley Periodicals, Inc.
A nanomaterial release model for waste shredding using a Bayesian belief network

NASA Astrophysics Data System (ADS)

Shandilya, Neeraj; Ligthart, Tom; van Voorde, Imelda; Stahlmecke, Burkhard; Clavaguera, Simon; Philippot, Cecile; Ding, Yaobo; Goede, Henk

2018-02-01

The shredding of waste of electrical and electronic equipment (WEEE) and other products, incorporated with nanomaterials, can lead to a substantial release of nanomaterials. Considering the uncertainty, complexity, and scarcity of experimental data on release, we present the development of a Bayesian belief network (BBN) model. This baseline model aims to give a first prediction of the release of nanomaterials (excluding nanofibers) during their mechanical shredding. With a focus on the description of the model development methodology, we characterize nanomaterial release in terms of number, size, mass, and composition of released particles. Through a sensitivity analysis of the model, we find the material-specific parameters like affinity of nanomaterials to the matrix of the composite and their state of dispersion inside the matrix to reduce the nanomaterial release up to 50%. The shredder-specific parameters like number of shafts in a shredder and input and output size of the material for shredding could minimize it up to 98%. The comparison with two experimental test cases shows promising outcome on the prediction capacity of the model. As additional experimental data on nanomaterial release becomes available, the model is able to further adapt and update risk forecasts. When adapting the model with additional expert beliefs, experts should be selected using criteria, e.g., substantial contribution to nanomaterial and/or particulate matter release-related scientific literature, the capacity and willingness to contribute to further development of the BBN model, and openness to accepting deviating opinions. [Figure not available: see fulltext.
Geothermal reservoir engineering research

NASA Technical Reports Server (NTRS)

Ramey, H. J., Jr.; Kruger, P.; Brigham, W. E.; London, A. L.

1974-01-01

The Stanford University research program on the study of stimulation and reservoir engineering of geothermal resources commenced as an interdisciplinary program in September, 1972. The broad objectives of this program have been: (1) the development of experimental and computational data to evaluate the optimum performance of fracture-stimulated geothermal reservoirs; (2) the development of a geothermal reservoir model to evaluate important thermophysical, hydrodynamic, and chemical parameters based on fluid-energy-volume balances as part of standard reservoir engineering practice; and (3) the construction of a laboratory model of an explosion-produced chimney to obtain experimental data on the processes of in-place boiling, moving flash fronts, and two-phase flow in porous and fractured hydrothermal reservoirs.
Game dynamic model for yeast development.

PubMed

Huang, Yuanyuan; Wu, Zhijun

2012-07-01

Game theoretic models, along with replicator equations, have been applied successfully to the study of evolution of populations of competing species, including the growth of a population, the reaching of the population to an equilibrium state, and the evolutionary stability of the state. In this paper, we analyze a game model proposed by Gore et al. (Nature 456:253-256, 2009) in their recent study on the co-development of two mixed yeast strains. We examine the mathematical properties of this model with varying experimental parameters. We simulate the growths of the yeast strains and compare them with the experimental results. We also compute and analyze the equilibrium state of the system and prove that it is asymptotically and evolutionarily stable.
Experimental Research Regarding The Motion Capacity Of A Robotic Arm

NASA Astrophysics Data System (ADS)

Dumitru, Violeta Cristina

2015-09-01

This paper refers to the development of necessary experiments which obtained dynamic parameters (force, displacement) for a modular mechanism with multiple vertebrae. This mechanism performs functions of inspection and intervention in small spaces. Mechanical structure allows functional parameters to achieve precise movements to an imposed target. Will be analyzed the dynamic of the mechanisms using simulation instruments DimamicaRobot.tst under TestPoint programming environment and the elasticity of the tension cables. It will be changes on the mechanism so that spatial movement of the robotic arm is optimal.
Mechanism of force mode dip-pen nanolithography

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

Yang, Haijun, E-mail: yanghaijun@sinap.ac.cn, E-mail: swguo@sjtu.edu.cn, E-mail: wanghuabin@cigit.ac.cn; Interfacial Water Division and Key Laboratory of Interfacial Physics and Technology, Shanghai Institute of Applied Physics, CAS, Shanghai 201800; Xie, Hui

In this work, the underlying mechanism of the force mode dip-pen nanolithography (FMDPN) is investigated in depth by analyzing force curves, tapping mode deflection signals, and “Z-scan” voltage variations during the FMDPN. The operation parameters including the relative “trigger threshold” and “surface delay” parameters are vital to control the loading force and dwell time for ink deposition during FMDPN. A model is also developed to simulate the interactions between the atomic force microscope tip and soft substrate during FMDPN, and verified by its good performance in fitting our experimental data.
LASER APPLICATIONS AND OTHER TOPICS IN QUANTUM ELECTRONICS: Nanosize relief: from phase masks to antireflection coatings on quartz and silicon

NASA Astrophysics Data System (ADS)

Verevkin, Yu K.; Klimov, A. Yu; Gribkov, B. A.; Petryakov, V. N.; Koposova, E. V.; Olaizola, Santiago M.

2008-11-01

By using the interference of pulsed radiation and a complete lithographic cycle, phase masks on quartz and antireflection structures on quartz and silicon are produced. The transmission of radiation through a corrugated vacuum—solid interface is calculated by solving rigorously an integral equation with the help of a computer program for parameters close to experimental parameters. The results of measurements are in good agreement with calculations. The methods developed in the paper can be used for manufacturing optical and semiconductor devices.
Explosive decomposition of ethylene oxide at elevated condition: effect of ignition energy, nitrogen dilution, and turbulence.

PubMed

Pekalski, A A; Zevenbergen, J F; Braithwaite, M; Lemkowitz, S M; Pasman, H J

2005-02-14

Experimental and theoretical investigation of explosive decomposition of ethylene oxide (EO) at fixed initial experimental parameters (T=100 degrees C, P=4 bar) in a 20-l sphere was conducted. Safety-related parameters, namely the maximum explosion pressure, the maximum rate of pressure rise, and the Kd values, were experimentally determined for pure ethylene oxide and ethylene oxide diluted with nitrogen. The influence of the ignition energy on the explosion parameters was also studied. All these dependencies are quantified in empirical formulas. Additionally, the effect of turbulence on explosive decomposition of ethylene oxide was investigated. In contrast to previous studies, it is found that turbulence significantly influences the explosion severity parameters, mostly the rate of pressure rise. Thermodynamic models are used to calculate the maximum explosion pressure of pure and of nitrogen-diluted ethylene oxide, at different initial temperatures. Soot formation was experimentally observed. Relation between the amounts of soot formed and the explosion pressure was experimentally observed and was calculated.
Tensor methods for parameter estimation and bifurcation analysis of stochastic reaction networks

PubMed Central

Liao, Shuohao; Vejchodský, Tomáš; Erban, Radek

2015-01-01

Stochastic modelling of gene regulatory networks provides an indispensable tool for understanding how random events at the molecular level influence cellular functions. A common challenge of stochastic models is to calibrate a large number of model parameters against the experimental data. Another difficulty is to study how the behaviour of a stochastic model depends on its parameters, i.e. whether a change in model parameters can lead to a significant qualitative change in model behaviour (bifurcation). In this paper, tensor-structured parametric analysis (TPA) is developed to address these computational challenges. It is based on recently proposed low-parametric tensor-structured representations of classical matrices and vectors. This approach enables simultaneous computation of the model properties for all parameter values within a parameter space. The TPA is illustrated by studying the parameter estimation, robustness, sensitivity and bifurcation structure in stochastic models of biochemical networks. A Matlab implementation of the TPA is available at http://www.stobifan.org. PMID:26063822
Tensor methods for parameter estimation and bifurcation analysis of stochastic reaction networks.

PubMed

Liao, Shuohao; Vejchodský, Tomáš; Erban, Radek

2015-07-06

Stochastic modelling of gene regulatory networks provides an indispensable tool for understanding how random events at the molecular level influence cellular functions. A common challenge of stochastic models is to calibrate a large number of model parameters against the experimental data. Another difficulty is to study how the behaviour of a stochastic model depends on its parameters, i.e. whether a change in model parameters can lead to a significant qualitative change in model behaviour (bifurcation). In this paper, tensor-structured parametric analysis (TPA) is developed to address these computational challenges. It is based on recently proposed low-parametric tensor-structured representations of classical matrices and vectors. This approach enables simultaneous computation of the model properties for all parameter values within a parameter space. The TPA is illustrated by studying the parameter estimation, robustness, sensitivity and bifurcation structure in stochastic models of biochemical networks. A Matlab implementation of the TPA is available at http://www.stobifan.org.
Direct extraction of electron parameters from magnetoconductance analysis in mesoscopic ring array structures

NASA Astrophysics Data System (ADS)

Sawada, A.; Faniel, S.; Mineshige, S.; Kawabata, S.; Saito, K.; Kobayashi, K.; Sekine, Y.; Sugiyama, H.; Koga, T.

2018-05-01

We report an approach for examining electron properties using information about the shape and size of a nanostructure as a measurement reference. This approach quantifies the spin precession angles per unit length directly by considering the time-reversal interferences on chaotic return trajectories within mesoscopic ring arrays (MRAs). Experimentally, we fabricated MRAs using nanolithography in InGaAs quantum wells which had a gate-controllable spin-orbit interaction (SOI). As a result, we observed an Onsager symmetry related to relativistic magnetic fields, which provided us with indispensable information for the semiclassical billiard ball simulation. Our simulations, developed based on the real-space formalism of the weak localization/antilocalization effect including the degree of freedom for electronic spin, reproduced the experimental magnetoconductivity (MC) curves with high fidelity. The values of five distinct electron parameters (Fermi wavelength, spin precession angles per unit length for two different SOIs, impurity scattering length, and phase coherence length) were thereby extracted from a single MC curve. The methodology developed here is applicable to wide ranges of nanomaterials and devices, providing a diagnostic tool for exotic properties of two-dimensional electron systems.
Design optimization of beta- and photovoltaic conversion devices

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

Wichner, R.; Blum, A.; Fischer-Colbrie, E.

1976-01-08

This report presents the theoretical and experimental results of an LLL Electronics Engineering research program aimed at optimizing the design and electronic-material parameters of beta- and photovoltaic p-n junction conversion devices. To meet this objective, a comprehensive computer code has been developed that can handle a broad range of practical conditions. The physical model upon which the code is based is described first. Then, an example is given of a set of optimization calculations along with the resulting optimized efficiencies for silicon (Si) and gallium-arsenide (GaAs) devices. The model we have developed, however, is not limited to these materials. Itmore » can handle any appropriate material--single or polycrystalline-- provided energy absorption and electron-transport data are available. To check code validity, the performance of experimental silicon p-n junction devices (produced in-house) were measured under various light intensities and spectra as well as under tritium beta irradiation. The results of these tests were then compared with predicted results based on the known or best estimated device parameters. The comparison showed very good agreement between the calculated and the measured results.« less
Computational screening of organic materials towards improved photovoltaic properties

NASA Astrophysics Data System (ADS)

Dai, Shuo; Olivares-Amaya, Roberto; Amador-Bedolla, Carlos; Aspuru-Guzik, Alan; Borunda, Mario

2015-03-01

The world today faces an energy crisis that is an obstruction to the development of the human civilization. One of the most promising solutions is solar energy harvested by economical solar cells. Being the third generation of solar cell materials, organic photovoltaic (OPV) materials is now under active development from both theoretical and experimental points of view. In this study, we constructed a parameter to select the desired molecules based on their optical spectra performance. We applied it to investigate a large collection of potential OPV materials, which were from the CEPDB database set up by the Harvard Clean Energy Project. Time dependent density functional theory (TD-DFT) modeling was used to calculate the absorption spectra of the molecules. Then based on the parameter, we screened out the top performing molecules for their potential OPV usage and suggested experimental efforts toward their synthesis. In addition, from those molecules, we summarized the functional groups that provided molecules certain spectrum capability. It is hoped that useful information could be mined out to provide hints to molecular design of OPV materials.
Uncertainty Analysis of Instrument Calibration and Application

NASA Technical Reports Server (NTRS)

Tripp, John S.; Tcheng, Ping

1999-01-01

Experimental aerodynamic researchers require estimated precision and bias uncertainties of measured physical quantities, typically at 95 percent confidence levels. Uncertainties of final computed aerodynamic parameters are obtained by propagation of individual measurement uncertainties through the defining functional expressions. In this paper, rigorous mathematical techniques are extended to determine precision and bias uncertainties of any instrument-sensor system. Through this analysis, instrument uncertainties determined through calibration are now expressed as functions of the corresponding measurement for linear and nonlinear univariate and multivariate processes. Treatment of correlated measurement precision error is developed. During laboratory calibration, calibration standard uncertainties are assumed to be an order of magnitude less than those of the instrument being calibrated. Often calibration standards do not satisfy this assumption. This paper applies rigorous statistical methods for inclusion of calibration standard uncertainty and covariance due to the order of their application. The effects of mathematical modeling error on calibration bias uncertainty are quantified. The effects of experimental design on uncertainty are analyzed. The importance of replication is emphasized, techniques for estimation of both bias and precision uncertainties using replication are developed. Statistical tests for stationarity of calibration parameters over time are obtained.
Modeling of venturi scrubber efficiency

NASA Astrophysics Data System (ADS)

Crowder, Jerry W.; Noll, Kenneth E.; Davis, Wayne T.

The parameters affecting venturi scrubber performance have been rationally examined and modifications to the current modeling theory have been developed. The modified model has been validated with available experimental data for a range of throat gas velocities, liquid-to-gas ratios and particle diameters and is used to study the effect of some design parameters on collection efficiency. Most striking among the observations is the prediction of a new design parameter termed the minimum contactor length. Also noted is the prediction of little effect on collection efficiency with increasing liquid-to-gas ratio above about 2ℓ m-3. Indeed, for some cases a decrease in collection efficiency is predicted for liquid rates above this value.

In-situ measurements of scattering phase functions of stratospheric aerosol particles in Alaska during July 1979

NASA Technical Reports Server (NTRS)

Grams, G. W.

1981-01-01

A laser nephelometer developed for airborne measurements of polar scattering diagrams of atmospheric aerosols was flown on the NCAR Sabreliner aircraft to obtain data on light-scattering parameters for stratospheric aerosol particles over Alaska during July 1979. Observed values of the angular variation of scattered-light intensity were compared with those calculated for different values of the asymmetry parameter g in the Henyey-Greenstein phase function. The observations indicate that, for the time and location of the experiments, the Henyey-Greenstein phase function could be used to calculate polar scattering diagrams to within experimental errors for an asymmetry parameter value of 0.49 plus or minus 0.07.
Laser Journal

NASA Astrophysics Data System (ADS)

1991-12-01

The major results of an experimental study of a slab Nd:YAG laser are reported in the article; the laser was successfully developed by the authors. The major findings include the following: (1) a method for cooling the blended flowing air and water, as well the related experimental parameters; (2) by using a crossed lens cavity, the authors further improved the anomalous capability within the compensation cavity of the slab laser, as well as higher insensitivity of the system to maladjustment; and (3) a processing technique and major points of slab YAG laser medium.
Drag reduction by polymers in wall bounded turbulence.

PubMed

L'vov, Victor S; Pomyalov, Anna; Procaccia, Itamar; Tiberkevich, Vasil

2004-06-18

We elucidate the mechanism of drag reduction by polymers in turbulent wall-bounded flows: while momentum is produced at a fixed rate by the forcing, polymer stretching results in the suppression of momentum flux to the wall. On the basis of the equations of fluid mechanics we develop the phenomenology of the "maximum drag reduction asymptote" which is the maximum drag reduction attained by polymers. Based on Newtonian information only we demonstrate the existence of drag reduction, and with one experimental parameter we reach agreement with the experimental measurements.
Uniform modeling of bacterial colony patterns with varying nutrient and substrate

NASA Astrophysics Data System (ADS)

Schwarcz, Deborah; Levine, Herbert; Ben-Jacob, Eshel; Ariel, Gil

2016-04-01

Bacteria develop complex patterns depending on growth condition. For example, Bacillus subtilis exhibit five different patterns depending on substrate hardness and nutrient concentration. We present a unified integro-differential model that reproduces the entire experimentally observed morphology diagram at varying nutrient concentrations and substrate hardness. The model allows a comprehensive and quantitative comparison between experimental and numerical variables and parameters, such as colony growth rate, nutrient concentration and diffusion constants. As a result, the role of the different physical mechanisms underlying and regulating the growth of the colony can be evaluated.
Thawing of ice in porous space of building materials: Experimental monitoring and computational modelling

NASA Astrophysics Data System (ADS)

Kočí, Jan; Maděra, Jiří; Kočí, Václav; Hlaváčová, Zuzana; Černý, Robert

2017-11-01

A simple laboratory experiment for the determination of thermal response of a studied sample during thawing is described in the paper. The sample made of autoclaved aerated concrete was partially water saturated and frozen. Then, the temperature development during thawing was recorded, allowing to identify the time scale of the phase change process taking place inside the sample. The experimental data was then used in the inverse analysis, in order to find unknown parameters of the smoothed effective specific heat capacity model.
A model for a continuous-wave iodine laser

NASA Technical Reports Server (NTRS)

Hwang, In H.; Tabibi, Bagher M.

1990-01-01

A model for a continuous-wave (CW) iodine laser has been developed and compared with the experimental results obtained from a solar-simulator-pumped CW iodine laser. The agreement between the calculated laser power output and the experimental results is generally good for various laser parameters even when the model includes only prominent rate coefficients. The flow velocity dependence of the output power shows that the CW iodine laser cannot be achieved with a flow velocity below 1 m/s for the present solar-simulator-pumped CW iodine laser system.
Identification of observer/Kalman filter Markov parameters: Theory and experiments

NASA Technical Reports Server (NTRS)

Juang, Jer-Nan; Phan, Minh; Horta, Lucas G.; Longman, Richard W.

1991-01-01

An algorithm to compute Markov parameters of an observer or Kalman filter from experimental input and output data is discussed. The Markov parameters can then be used for identification of a state space representation, with associated Kalman gain or observer gain, for the purpose of controller design. The algorithm is a non-recursive matrix version of two recursive algorithms developed in previous works for different purposes. The relationship between these other algorithms is developed. The new matrix formulation here gives insight into the existence and uniqueness of solutions of certain equations and gives bounds on the proper choice of observer order. It is shown that if one uses data containing noise, and seeks the fastest possible deterministic observer, the deadbeat observer, one instead obtains the Kalman filter, which is the fastest possible observer in the stochastic environment. Results are demonstrated in numerical studies and in experiments on an ten-bay truss structure.
Hygrothermal wave propagation in viscoelastic graphene under in-plane magnetic field based on nonlocal strain gradient theory

NASA Astrophysics Data System (ADS)

Karami, Behrouz; Shahsavari, Davood; Li, Li

2018-03-01

A size-dependent model is developed for the hygrothermal wave propagation analysis of an embedded viscoelastic single layer graphene sheet (SLGS) under the influence of in-plane magnetic field. The bi-Helmholtz nonlocal strain gradient theory involving three small scale parameters is introduced to account for the size-dependent effects. The size-dependent model is deduced based on Hamilton's principle. The closed-form solution of eigenfrequency relation between wave number and phase velocity is achieved. By studying the size-dependent effects on the flexural wave of SLGS, the dispersion relation predicted by the developed size-dependent model can show a good match with experimental data. The influence of in-plane magnetic field, temperature and moisture of environs, structural damping, damped substrate, lower and higher order nonlocal parameters and the material characteristic parameter on the phase velocity of SLGS is explored.
The effects of deposition parameters on surface morphology and crystallographic orientation of electroless Ni-B coatings

NASA Astrophysics Data System (ADS)

Bulbul, Ferhat

2011-02-01

Electroless Ni-B coatings were deposited on AISI 304 stainless steels by electroless deposition method, which was performed for nine different test conditions at various levels of temperature, concentration of NaBH4, concentration of NiCl2, and time, using the Taguchi L9(34) experimental method. The effects of deposition parameters on the crystallographic orientation of electroless Ni-B coatings were investigated using SEM and XRD equipment. SEM analysis revealed that the Ni-B coatings developed six types (pea-like, maize-like, primary nodular, blackberry-like or grapes-like, broccoli-like, and cauliflower-like) of morphological structures depending on the deposition parameters. XRD results also showed that these structures exhibited different levels of amorphous character. The concentration of NaBH4 had the most dominant effect on the morphological and crystallographic development of electroless Ni-B coatings.
Numerical simulation of electron beam welding with beam oscillations

NASA Astrophysics Data System (ADS)

Trushnikov, D. N.; Permyakov, G. L.

2017-02-01

This research examines the process of electron-beam welding in a keyhole mode with the use of beam oscillations. We study the impact of various beam oscillations and their parameters on the shape of the keyhole, the flow of heat and mass transfer processes and weld parameters to develop methodological recommendations. A numerical three-dimensional mathematical model of electron beam welding is presented. The model was developed on the basis of a heat conduction equation and a Navier-Stokes equation taking into account phase transitions at the interface of a solid and liquid phase and thermocapillary convection (Marangoni effect). The shape of the keyhole is determined based on experimental data on the parameters of the secondary signal by using the method of a synchronous accumulation. Calculations of thermal and hydrodynamic processes were carried out based on a computer cluster, using a simulation package COMSOL Multiphysics.
Numerical model updating technique for structures using firefly algorithm

NASA Astrophysics Data System (ADS)

Sai Kubair, K.; Mohan, S. C.

2018-03-01

Numerical model updating is a technique used for updating the existing experimental models for any structures related to civil, mechanical, automobiles, marine, aerospace engineering, etc. The basic concept behind this technique is updating the numerical models to closely match with experimental data obtained from real or prototype test structures. The present work involves the development of numerical model using MATLAB as a computational tool and with mathematical equations that define the experimental model. Firefly algorithm is used as an optimization tool in this study. In this updating process a response parameter of the structure has to be chosen, which helps to correlate the numerical model developed with the experimental results obtained. The variables for the updating can be either material or geometrical properties of the model or both. In this study, to verify the proposed technique, a cantilever beam is analyzed for its tip deflection and a space frame has been analyzed for its natural frequencies. Both the models are updated with their respective response values obtained from experimental results. The numerical results after updating show that there is a close relationship that can be brought between the experimental and the numerical models.
SBML-PET: a Systems Biology Markup Language-based parameter estimation tool.

PubMed

Zi, Zhike; Klipp, Edda

2006-11-01

The estimation of model parameters from experimental data remains a bottleneck for a major breakthrough in systems biology. We present a Systems Biology Markup Language (SBML) based Parameter Estimation Tool (SBML-PET). The tool is designed to enable parameter estimation for biological models including signaling pathways, gene regulation networks and metabolic pathways. SBML-PET supports import and export of the models in the SBML format. It can estimate the parameters by fitting a variety of experimental data from different experimental conditions. SBML-PET has a unique feature of supporting event definition in the SMBL model. SBML models can also be simulated in SBML-PET. Stochastic Ranking Evolution Strategy (SRES) is incorporated in SBML-PET for parameter estimation jobs. A classic ODE Solver called ODEPACK is used to solve the Ordinary Differential Equation (ODE) system. http://sysbio.molgen.mpg.de/SBML-PET/. The website also contains detailed documentation for SBML-PET.
Comparative Assessment of Torso and Seat Mounted Restraint Systems using Manikins on the Vertical Deceleration Tower

DTIC Science & Technology

2017-03-01

experimental effort involving a series of +z-axis impact tests was conducted on the 711th Human Performance Wing’s Vertical Deceleration Tower (VDT...parameters) and a JSF-styled ejection seat configuration (combined non -baseline test parameters) produced similar biodynamic response parameters for the LOIS...Photography .............................................................................. 12 6.0 EXPERIMENTAL DESIGN
Asymmetric rotor-like probes to polarized fluorescence study of the macroscopically oriented uniaxial media: Model parameters recognition

NASA Astrophysics Data System (ADS)

Buczkowski, M.; Fisz, J. J.

2008-07-01

In this paper the possibility of the numerical data modelling in the case of angle- and time-resolved fluorescence spectroscopy is investigated. The asymmetric fluorescence probes are assumed to undergo the restricted rotational diffusion in a hosting medium. This process is described quantitatively by the diffusion tensor and the aligning potential. The evolution of the system is expressed in terms of the Smoluchowski equation with an appropriate time-developing operator. A matrix representation of this operator is calculated, then symmetrized and diagonalized. The resulting propagator is used to generate the synthetic noisy data set that imitates results of experimental measurements. The data set serves as a groundwork to the χ2 optimization, performed by the genetic algorithm followed by the gradient search, in order to recover model parameters, which are diagonal elements of the diffusion tensor, aligning potential expansion coefficients and directions of the electronic dipole moments. This whole procedure properly identifies model parameters, showing that the outlined formalism should be taken in the account in the case of analysing real experimental data.
CHARMM Drude Polarizable Force Field for Aldopentofuranoses and Methyl-aldopentofuranosides

PubMed Central

Jana, Madhurima; MacKerell, Alexander D.

2015-01-01

An empirical all-atom CHARMM polarizable force filed for aldopentofuranoses and methyl-aldopentofuranosides based on the classical Drude oscillator is presented. A single electrostatic model is developed for eight different diastereoisomers of aldopentofuranoses by optimizing the existing electrostatic and bonded parameters as transferred from ethers, alcohols and hexopyranoses to reproduce quantum mechanical (QM) dipole moments, furanose-water interaction energies and conformational energies. Optimization of selected electrostatic and dihedral parameters was performed to generate a model for methyl-aldopentofuranosides. Accuracy of the model was tested by reproducing experimental data for crystal intramolecular geometries and lattice unit cell parameters, aqueous phase densities, and ring pucker and exocyclic rotamer populations as obtained from NMR experiments. In most cases the model is found to reproduce both QM data and experimental observables in an excellent manner, while for the remainder the level of agreement is in the satisfactory regimen. In aqueous phase simulations the monosaccharides have significantly enhanced dipoles as compared to the gas phase. The final model from this study is transferrable for future studies on carbohydrates and can be used with the existing CHARMM Drude polarizable force field for biomolecules. PMID:26018564
Numerical investigation of potential stratification caused by a cryogenic helium spill inside a tunnel

NASA Astrophysics Data System (ADS)

Sinclair, Cameron; Malecha, Ziemowit; Jedrusyna, Artur

2018-04-01

The sudden release of cryogenic fluid into an accelerator tunnel can pose a significant health and safety risk. For this reason, it is important to evaluate the consequences of such a spill. Previous publications concentrated on either Oxygen Deficiency Hazard or the evaluation of mathematical models using experimental data. No studies to date have focussed on the influence of cryogen inlet conditions on flow development. In this paper, the stratification behaviour of low-temperature helium released into an air-filled accelerator tunnel is investigated for varying helium inlet diameters. A numerical model was constructed using the OpenFOAM Toolbox of a generalised 3D geometry, with similar hydraulic characteristics to the CERN and SLAC tunnels. This model has been validated against published experimental and numerical data. A dimensionless parameter, based on Bakke number, was then determined for the onset of stratification, taking into account the helium inlet diameter; a dimensionless parameter for the degree of stratification was also employed. The simulated flow behaviour is described in terms of these dimensionless parameters, as well as the temperature and oxygen concentration at various heights throughout the tunnel.
Progress in Validation of Wind-US for Ramjet/Scramjet Combustion

NASA Technical Reports Server (NTRS)

Engblom, William A.; Frate, Franco C.; Nelson, Chris C.

2005-01-01

Validation of the Wind-US flow solver against two sets of experimental data involving high-speed combustion is attempted. First, the well-known Burrows- Kurkov supersonic hydrogen-air combustion test case is simulated, and the sensitively of ignition location and combustion performance to key parameters is explored. Second, a numerical model is developed for simulation of an X-43B candidate, full-scale, JP-7-fueled, internal flowpath operating in ramjet mode. Numerical results using an ethylene-air chemical kinetics model are directly compared against previously existing pressure-distribution data along the entire flowpath, obtained in direct-connect testing conducted at NASA Langley Research Center. Comparison to derived quantities such as burn efficiency and thermal throat location are also made. Reasonable to excellent agreement with experimental data is demonstrated for key parameters in both simulation efforts. Additional Wind-US feature needed to improve simulation efforts are described herein, including maintaining stagnation conditions at inflow boundaries for multi-species flow. An open issue regarding the sensitivity of isolator unstart to key model parameters is briefly discussed.
Evolutionary algorithm for vehicle driving cycle generation.

PubMed

Perhinschi, Mario G; Marlowe, Christopher; Tamayo, Sergio; Tu, Jun; Wayne, W Scott

2011-09-01

Modeling transit bus emissions and fuel economy requires a large amount of experimental data over wide ranges of operational conditions. Chassis dynamometer tests are typically performed using representative driving cycles defined based on vehicle instantaneous speed as sequences of "microtrips", which are intervals between consecutive vehicle stops. Overall significant parameters of the driving cycle, such as average speed, stops per mile, kinetic intensity, and others, are used as independent variables in the modeling process. Performing tests at all the necessary combinations of parameters is expensive and time consuming. In this paper, a methodology is proposed for building driving cycles at prescribed independent variable values using experimental data through the concatenation of "microtrips" isolated from a limited number of standard chassis dynamometer test cycles. The selection of the adequate "microtrips" is achieved through a customized evolutionary algorithm. The genetic representation uses microtrip definitions as genes. Specific mutation, crossover, and karyotype alteration operators have been defined. The Roulette-Wheel selection technique with elitist strategy drives the optimization process, which consists of minimizing the errors to desired overall cycle parameters. This utility is part of the Integrated Bus Information System developed at West Virginia University.
Characterizing white matter tissue in large strain via asymmetric indentation and inverse finite element modeling.

PubMed

Feng, Yuan; Lee, Chung-Hao; Sun, Lining; Ji, Songbai; Zhao, Xuefeng

2017-01-01

Characterizing the mechanical properties of white matter is important to understand and model brain development and injury. With embedded aligned axonal fibers, white matter is typically modeled as a transversely isotropic material. However, most studies characterize the white matter tissue using models with a single anisotropic invariant or in a small-strain regime. In this study, we combined a single experimental procedure - asymmetric indentation - with inverse finite element (FE) modeling to estimate the nearly incompressible transversely isotropic material parameters of white matter. A minimal form comprising three parameters was employed to simulate indentation responses in the large-strain regime. The parameters were estimated using a global optimization procedure based on a genetic algorithm (GA). Experimental data from two indentation configurations of porcine white matter, parallel and perpendicular to the axonal fiber direction, were utilized to estimate model parameters. Results in this study confirmed a strong mechanical anisotropy of white matter in large strain. Further, our results suggested that both indentation configurations are needed to estimate the parameters with sufficient accuracy, and that the indenter-sample friction is important. Finally, we also showed that the estimated parameters were consistent with those previously obtained via a trial-and-error forward FE method in the small-strain regime. These findings are useful in modeling and parameterization of white matter, especially under large deformation, and demonstrate the potential of the proposed asymmetric indentation technique to characterize other soft biological tissues with transversely isotropic properties. Copyright © 2016 Elsevier Ltd. All rights reserved.
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.

Unscented Kalman filter with parameter identifiability analysis for the estimation of multiple parameters in kinetic models

PubMed Central

2011-01-01

In systems biology, experimentally measured parameters are not always available, necessitating the use of computationally based parameter estimation. In order to rely on estimated parameters, it is critical to first determine which parameters can be estimated for a given model and measurement set. This is done with parameter identifiability analysis. A kinetic model of the sucrose accumulation in the sugar cane culm tissue developed by Rohwer et al. was taken as a test case model. What differentiates this approach is the integration of an orthogonal-based local identifiability method into the unscented Kalman filter (UKF), rather than using the more common observability-based method which has inherent limitations. It also introduces a variable step size based on the system uncertainty of the UKF during the sensitivity calculation. This method identified 10 out of 12 parameters as identifiable. These ten parameters were estimated using the UKF, which was run 97 times. Throughout the repetitions the UKF proved to be more consistent than the estimation algorithms used for comparison. PMID:21989173
A Bayesian Uncertainty Framework for Conceptual Snowmelt and Hydrologic Models Applied to the Tenderfoot Creek Experimental Forest

NASA Astrophysics Data System (ADS)

Smith, T.; Marshall, L.

2007-12-01

In many mountainous regions, the single most important parameter in forecasting the controls on regional water resources is snowpack (Williams et al., 1999). In an effort to bridge the gap between theoretical understanding and functional modeling of snow-driven watersheds, a flexible hydrologic modeling framework is being developed. The aim is to create a suite of models that move from parsimonious structures, concentrated on aggregated watershed response, to those focused on representing finer scale processes and distributed response. This framework will operate as a tool to investigate the link between hydrologic model predictive performance, uncertainty, model complexity, and observable hydrologic processes. Bayesian methods, and particularly Markov chain Monte Carlo (MCMC) techniques, are extremely useful in uncertainty assessment and parameter estimation of hydrologic models. However, these methods have some difficulties in implementation. In a traditional Bayesian setting, it can be difficult to reconcile multiple data types, particularly those offering different spatial and temporal coverage, depending on the model type. These difficulties are also exacerbated by sensitivity of MCMC algorithms to model initialization and complex parameter interdependencies. As a way of circumnavigating some of the computational complications, adaptive MCMC algorithms have been developed to take advantage of the information gained from each successive iteration. Two adaptive algorithms are compared is this study, the Adaptive Metropolis (AM) algorithm, developed by Haario et al (2001), and the Delayed Rejection Adaptive Metropolis (DRAM) algorithm, developed by Haario et al (2006). While neither algorithm is truly Markovian, it has been proven that each satisfies the desired ergodicity and stationarity properties of Markov chains. Both algorithms were implemented as the uncertainty and parameter estimation framework for a conceptual rainfall-runoff model based on the Probability Distributed Model (PDM), developed by Moore (1985). We implement the modeling framework in Stringer Creek watershed in the Tenderfoot Creek Experimental Forest (TCEF), Montana. The snowmelt-driven watershed offers that additional challenge of modeling snow accumulation and melt and current efforts are aimed at developing a temperature- and radiation-index snowmelt model. Auxiliary data available from within TCEF's watersheds are used to support in the understanding of information value as it relates to predictive performance. Because the model is based on lumped parameters, auxiliary data are hard to incorporate directly. However, these additional data offer benefits through the ability to inform prior distributions of the lumped, model parameters. By incorporating data offering different information into the uncertainty assessment process, a cross-validation technique is engaged to better ensure that modeled results reflect real process complexity.
The CRDS method application for study of the gas-phase processes in the hot CVD diamond thin film.

NASA Astrophysics Data System (ADS)

Buzaianumakarov, Vladimir; Hidalgo, Arturo; Morell, Gerardo; Weiner, Brad; Buzaianu, Madalina

2006-03-01

For detailed analysis of problem related to the hot CVD carbon-containing nano-material growing, we have to detect different intermediate species forming during the growing process as well as investigate dependences of concentrations of these species on different experimental parameters (concentrations of the CJH4, H2S stable chemical compounds and distance from the filament system to the substrate surface). In the present study, the HS and CS radicals were detected using the Cavity Ring Down Spectroscopic (CRDS) method in the hot CVD diamond thin film for the CH4(0.4 %) + H2 mixture doped by H2S (400 ppm). The absolute absorption density spectra of the HS and CS radicals were obtained as a function of different experimental parameters. This study proofs that the HS and CS radicals are an intermediate, which forms during the hot filament CVD process. The kinetics approach was developed for detailed analysis of the experimental data obtained. The kinetics scheme includes homogenous and heterogenous processes as well as processes of the chemical species transport in the CVD chamber.
Using Central Composite Experimental Design to Optimize the Degradation of Tylosin from Aqueous Solution by Photo-Fenton Reaction

PubMed Central

Sarrai, Abd Elaziz; Hanini, Salah; Merzouk, Nachida Kasbadji; Tassalit, Djilali; Szabó, Tibor; Hernádi, Klára; Nagy, László

2016-01-01

The feasibility of the application of the Photo-Fenton process in the treatment of aqueous solution contaminated by Tylosin antibiotic was evaluated. The Response Surface Methodology (RSM) based on Central Composite Design (CCD) was used to evaluate and optimize the effect of hydrogen peroxide, ferrous ion concentration and initial pH as independent variables on the total organic carbon (TOC) removal as the response function. The interaction effects and optimal parameters were obtained by using MODDE software. The significance of the independent variables and their interactions was tested by means of analysis of variance (ANOVA) with a 95% confidence level. Results show that the concentration of the ferrous ion and pH were the main parameters affecting TOC removal, while peroxide concentration had a slight effect on the reaction. The optimum operating conditions to achieve maximum TOC removal were determined. The model prediction for maximum TOC removal was compared to the experimental result at optimal operating conditions. A good agreement between the model prediction and experimental results confirms the soundness of the developed model. PMID:28773551
Automatic defects recognition in composite aerospace structures from experimental and theoretical analysis as part of an intelligent infrared thermographic inspection system

NASA Astrophysics Data System (ADS)

David, Denis G. F.; Marin, J. Y.; Tretout, Herve R.

An original concept for IR thermography nondestructive testing is validated. The principles of image and data processing investigated and developed as well as the utilization of AI should be transposable to other nondestructive techniques such as ultrasounds and X-rays. It is shown that modeling can be used in different ways to play a great part in the detection, the interpretation, and the sizing of the defects. The original concept lies in the comparison of experimental data with theoretical ones in order to identify regions of abnormal behavior related to defects. A Laplace transforms analytical method is successfully implemented in the case of composite materials such as graphite epoxy to identify a set of thermal parameters which contributes to the expertise. This approach is extended to a more complicated composite material such as Kevlar, which presents semitransparent characteristics. This modeling technique, which expresses experimental data in terms of thermal parameters, makes it possible to increase SNR and reduce the number of thermal images to be processed.
Automatic defects recognition in composite aerospace structures from experimental and theoretical analysis as part of an intelligent infrared thermographic inspection system

NASA Astrophysics Data System (ADS)

David, D.; Marin, J. Y.; Tretout, H.

1992-04-01

An original concept for IR thermography nondestructive testing is validated. The principles of image and data processing investigated and developed as well as the utilization of AI should be transposable to other nondestructive techniques such as ultrasounds and X-rays. It is shown that modeling can be used in different ways to play a great part in the detection, the interpretation, and the sizing of the defects. The original concept lies in the comparison of experimental data with theoretical ones in order to identify regions of abnormal behavior related to defects. A Laplace transforms analytical method is successfully implemented in the case of composite materials such as graphite epoxy to identify a set of thermal parameters which contributes to the expertise. This approach is extended to a more complicated composite material such as Kevlar, which presents semitransparent characteristics. This modeling technique, which expresses experimental data in terms of thermal parameters, makes it possible to increase SNR and reduce the number of thermal images to be processed.
Design of a transverse-flux permanent-magnet linear generator and controller for use with a free-piston stirling engine

NASA Astrophysics Data System (ADS)

Zheng, Jigui; Huang, Yuping; Wu, Hongxing; Zheng, Ping

2016-07-01

Transverse-flux with high efficiency has been applied in Stirling engine and permanent magnet synchronous linear generator system, however it is restricted for large application because of low and complex process. A novel type of cylindrical, non-overlapping, transverse-flux, and permanent-magnet linear motor(TFPLM) is investigated, furthermore, a high power factor and less process complexity structure research is developed. The impact of magnetic leakage factor on power factor is discussed, by using the Finite Element Analysis(FEA) model of stirling engine and TFPLM, an optimization method for electro-magnetic design of TFPLM is proposed based on magnetic leakage factor. The relation between power factor and structure parameter is investigated, and a structure parameter optimization method is proposed taking power factor maximum as a goal. At last, the test bench is founded, starting experimental and generating experimental are performed, and a good agreement of simulation and experimental is achieved. The power factor is improved and the process complexity is decreased. This research provides the instruction to design high-power factor permanent-magnet linear generator.
Experimental and theoretical studies of the thermal behavior of titanium dioxide-SnO2 based composites.

PubMed

Voga, G P; Coelho, M G; de Lima, G M; Belchior, J C

2011-04-07

In this paper we report experimental and theoretical studies concerning the thermal behavior of some organotin-Ti(IV) oxides employed as precursors for TiO(2)/SnO(2) semiconducting based composites, with photocatalytic properties. The organotin-TiO(2) supported materials were obtained by chemical reactions of SnBu(3)Cl (Bu = butyl), TiCl(4) with NH(4)OH in ethanol, in order to impregnate organotin oxide in a TiO(2) matrix. A theoretical model was developed to support experimental procedures. The kinetics parameters: frequency factor (A), activation energy, and reaction order (n) can be estimated through artificial intelligence methods. Genetic algorithm, fuzzy logic, and Petri neural nets were used in order to determine the kinetic parameters as a function of temperature. With this in mind, three precursors were prepared in order to obtain composites with Sn/TiO(2) ratios of 0% (1), 15% (2), and 30% (3) in weight, respectively. The thermal behavior of products (1-3) was studied by thermogravimetric experiments in oxygen.
Thermodynamic models for vapor-liquid equilibria of nitrogen + oxygen + carbon dioxide at low temperatures

NASA Astrophysics Data System (ADS)

Vrabec, Jadran; Kedia, Gaurav Kumar; Buchhauser, Ulrich; Meyer-Pittroff, Roland; Hasse, Hans

2009-02-01

For the design and optimization of CO 2 recovery from alcoholic fermentation processes by distillation, models for vapor-liquid equilibria (VLE) are needed. Two such thermodynamic models, the Peng-Robinson equation of state (EOS) and a model based on Henry's law constants, are proposed for the ternary mixture N 2 + O 2 + CO 2. Pure substance parameters of the Peng-Robinson EOS are taken from the literature, whereas the binary parameters of the Van der Waals one-fluid mixing rule are adjusted to experimental binary VLE data. The Peng-Robinson EOS describes both binary and ternary experimental data well, except at high pressures approaching the critical region. A molecular model is validated by simulation using binary and ternary experimental VLE data. On the basis of this model, the Henry's law constants of N 2 and O 2 in CO 2 are predicted by molecular simulation. An easy-to-use thermodynamic model, based on those Henry's law constants, is developed to reliably describe the VLE in the CO 2-rich region.
Modelling of hydrogen conditioning, retention and release in Tore Supra

NASA Astrophysics Data System (ADS)

Grisolia, C.; Horton, L. D.; Ehrenberg, J. K.

1995-04-01

A model based on a local mixing model has been previously developed at JET to explain the recovery of tritium after the first PTE experiment. This model is extended by a 0D plasma particle balance model and is applied to data from Tore Supra wall saturation experiments. With only two free parameters, representing the diffusion of hydrogen atoms and the volume recombination process between hydrogen atoms into molecules, the model can reproduce experimental data. The time evolution of the after-shot outgassing and the integral amount of particles recovered after the shot (assuming 13 m 2 of interacting surfaces between plasma and walls) are in good agreement with the experimental observations. The same set of parameters allows the model to simulate after-shot outgassing of five consecutive discharges. However, the model fails to predict the observed saturation of the walls by the plasma. Results from helium glow discharge (HeGD) can only be partially described. Good agreement with the experimental hydrogen release and its time evolution during HeGD is observed, but the model fails to describe the stability of a saturated graphite wall.
Two blowing concepts for roll and lateral control of aircraft

NASA Technical Reports Server (NTRS)

Tavella, D. A.; Wood, N. J.; Lee, C. S.; Roberts, L.

1986-01-01

Two schemes to modulate aerodynamic forces for roll and lateral control of aircraft have been investigated. The first scheme, called the lateral blowing concept, consists of thin jets of air exiting spanwise, or at small angle with the spanwise direction, from slots at the tips of straight wings. For this scheme, in addition to experimental measurements, a theory was developed showing the analytical relationship between aerodynamic forces and jet and wing parameters. Experimental results confirmed the theoretically derived scaling laws. The second scheme, which was studied experimentally, is called the jet spoiler concept and consists of thin jets exiting normally to the wing surface from slots aligned with the spanwise direction.
Faraday waves in a Hele-Shaw cell

NASA Astrophysics Data System (ADS)

Li, Jing; Li, Xiaochen; Chen, Kaijie; Xie, Bin; Liao, Shijun

2018-04-01

We investigate Faraday waves in a Hele-Shaw cell via experimental, numerical, and theoretical studies. Inspired by the Kelvin-Helmholtz-Darcy theory, we develop the gap-averaged Navier-Stokes equations and end up with the stable standing waves with half frequency of the external forced vibration. To overcome the dependency of a numerical model on the experimental parameter of wave length, we take two-phase flow into consideration and a novel dispersion relation is derived. The numerical results compare well with our experimental data, which effectively validates our proposed mathematical model. Therefore, this model can produce robust solutions of Faraday wave patterns and resolve related physical phenomena, which demonstrates the practical importance of the present study.
Predict-first experimental analysis using automated and integrated magnetohydrodynamic modeling

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

Lyons, B. C.; Paz-Soldan, C.; Meneghini, O.

An integrated-modeling workflow has been developed in this paper for the purpose of performing predict-first analysis of transient-stability experiments. Starting from an existing equilibrium reconstruction from a past experiment, the workflow couples together the EFIT Grad-Shafranov solver [L. Lao et al., Fusion Sci. Technol. 48, 968 (2005)], the EPED model for the pedestal structure [P. B. Snyder et al., Phys. Plasmas 16, 056118 (2009)], and the NEO drift-kinetic-equation solver [E. A. Belli and J. Candy, Plasma Phys. Controlled Fusion 54, 015015 (2012)] (for bootstrap current calculations) in order to generate equilibria with self-consistent pedestal structures as the plasma shape andmore » various scalar parameters (e.g., normalized β, pedestal density, and edge safety factor [q 95]) are changed. These equilibria are then analyzed using automated M3D-C1 extended-magnetohydrodynamic modeling [S. C. Jardin et al., Comput. Sci. Discovery 5, 014002 (2012)] to compute the plasma response to three-dimensional magnetic perturbations. This workflow was created in conjunction with a DIII-D experiment examining the effect of triangularity on the 3D plasma response. Several versions of the workflow were developed, and the initial ones were used to help guide experimental planning (e.g., determining the plasma current necessary to maintain the constant edge safety factor in various shapes). Subsequent validation with the experimental results was then used to revise the workflow, ultimately resulting in the complete model presented here. We show that quantitative agreement was achieved between the M3D-C1 plasma response calculated for equilibria generated by the final workflow and equilibria reconstructed from experimental data. A comparison of results from earlier workflows is used to show the importance of properly matching certain experimental parameters in the generated equilibria, including the normalized β, pedestal density, and q 95. On the other hand, the details of the pedestal current did not significantly impact the plasma response in these equilibria. A comparison to the experimentally measured plasma response shows mixed agreement, indicating that while the equilibria are predicted well, additional analysis tools may be needed. In conclusion, we note the implications that these results have for the success of future predict-first studies, particularly the need for scans of uncertain parameters and for close collaboration between experimentalists and theorists.« less
Predict-first experimental analysis using automated and integrated magnetohydrodynamic modeling

DOE PAGES

Lyons, B. C.; Paz-Soldan, C.; Meneghini, O.; ...

2018-05-07

An integrated-modeling workflow has been developed in this paper for the purpose of performing predict-first analysis of transient-stability experiments. Starting from an existing equilibrium reconstruction from a past experiment, the workflow couples together the EFIT Grad-Shafranov solver [L. Lao et al., Fusion Sci. Technol. 48, 968 (2005)], the EPED model for the pedestal structure [P. B. Snyder et al., Phys. Plasmas 16, 056118 (2009)], and the NEO drift-kinetic-equation solver [E. A. Belli and J. Candy, Plasma Phys. Controlled Fusion 54, 015015 (2012)] (for bootstrap current calculations) in order to generate equilibria with self-consistent pedestal structures as the plasma shape andmore » various scalar parameters (e.g., normalized β, pedestal density, and edge safety factor [q 95]) are changed. These equilibria are then analyzed using automated M3D-C1 extended-magnetohydrodynamic modeling [S. C. Jardin et al., Comput. Sci. Discovery 5, 014002 (2012)] to compute the plasma response to three-dimensional magnetic perturbations. This workflow was created in conjunction with a DIII-D experiment examining the effect of triangularity on the 3D plasma response. Several versions of the workflow were developed, and the initial ones were used to help guide experimental planning (e.g., determining the plasma current necessary to maintain the constant edge safety factor in various shapes). Subsequent validation with the experimental results was then used to revise the workflow, ultimately resulting in the complete model presented here. We show that quantitative agreement was achieved between the M3D-C1 plasma response calculated for equilibria generated by the final workflow and equilibria reconstructed from experimental data. A comparison of results from earlier workflows is used to show the importance of properly matching certain experimental parameters in the generated equilibria, including the normalized β, pedestal density, and q 95. On the other hand, the details of the pedestal current did not significantly impact the plasma response in these equilibria. A comparison to the experimentally measured plasma response shows mixed agreement, indicating that while the equilibria are predicted well, additional analysis tools may be needed. In conclusion, we note the implications that these results have for the success of future predict-first studies, particularly the need for scans of uncertain parameters and for close collaboration between experimentalists and theorists.« less
Predict-first experimental analysis using automated and integrated magnetohydrodynamic modeling

NASA Astrophysics Data System (ADS)

Lyons, B. C.; Paz-Soldan, C.; Meneghini, O.; Lao, L. L.; Weisberg, D. B.; Belli, E. A.; Evans, T. E.; Ferraro, N. M.; Snyder, P. B.

2018-05-01

An integrated-modeling workflow has been developed for the purpose of performing predict-first analysis of transient-stability experiments. Starting from an existing equilibrium reconstruction from a past experiment, the workflow couples together the EFIT Grad-Shafranov solver [L. Lao et al., Fusion Sci. Technol. 48, 968 (2005)], the EPED model for the pedestal structure [P. B. Snyder et al., Phys. Plasmas 16, 056118 (2009)], and the NEO drift-kinetic-equation solver [E. A. Belli and J. Candy, Plasma Phys. Controlled Fusion 54, 015015 (2012)] (for bootstrap current calculations) in order to generate equilibria with self-consistent pedestal structures as the plasma shape and various scalar parameters (e.g., normalized β, pedestal density, and edge safety factor [q95]) are changed. These equilibria are then analyzed using automated M3D-C1 extended-magnetohydrodynamic modeling [S. C. Jardin et al., Comput. Sci. Discovery 5, 014002 (2012)] to compute the plasma response to three-dimensional magnetic perturbations. This workflow was created in conjunction with a DIII-D experiment examining the effect of triangularity on the 3D plasma response. Several versions of the workflow were developed, and the initial ones were used to help guide experimental planning (e.g., determining the plasma current necessary to maintain the constant edge safety factor in various shapes). Subsequent validation with the experimental results was then used to revise the workflow, ultimately resulting in the complete model presented here. We show that quantitative agreement was achieved between the M3D-C1 plasma response calculated for equilibria generated by the final workflow and equilibria reconstructed from experimental data. A comparison of results from earlier workflows is used to show the importance of properly matching certain experimental parameters in the generated equilibria, including the normalized β, pedestal density, and q95. On the other hand, the details of the pedestal current did not significantly impact the plasma response in these equilibria. A comparison to the experimentally measured plasma response shows mixed agreement, indicating that while the equilibria are predicted well, additional analysis tools may be needed. Finally, we note the implications that these results have for the success of future predict-first studies, particularly the need for scans of uncertain parameters and for close collaboration between experimentalists and theorists.
The Numerical Calculation and Experimental Measurement of the Inductance Parameters for Permanent Magnet Synchronous Motor in Electric Vehicle

NASA Astrophysics Data System (ADS)

Jiang, Chao; Qiao, Mingzhong; Zhu, Peng

2017-12-01

A permanent magnet synchronous motor with radial magnetic circuit and built-in permanent magnet is designed for the electric vehicle. Finite element numerical calculation and experimental measurement are adopted to obtain the direct axis and quadrature axis inductance parameters of the motor which are vital important for the motor control. The calculation method is simple, the measuring principle is clear, the results of numerical calculation and experimental measurement are mutual confirmation. A quick and effective method is provided to obtain the direct axis and quadrature axis inductance parameters of the motor, and then improve the design of motor or adjust the control parameters of the motor controller.
Comparison of three nondestructive and contactless techniques for investigations of recombination parameters on an example of silicon samples

NASA Astrophysics Data System (ADS)

Chrobak, Ł.; Maliński, M.

2018-06-01

This paper presents a comparison of three nondestructive and contactless techniques used for determination of recombination parameters of silicon samples. They are: photoacoustic method, modulated free carriers absorption method and the photothermal radiometry method. In the paper the experimental set-ups used for measurements of the recombination parameters in these methods as also theoretical models used for interpretation of obtained experimental data have been presented and described. The experimental results and their respective fits obtained with these nondestructive techniques are shown and discussed. The values of the recombination parameters obtained with these methods are also presented and compared. Main advantages and disadvantages of presented methods have been discussed.
Models for selecting GMA Welding Parameters for Improving Mechanical Properties of Weld Joints

NASA Astrophysics Data System (ADS)

Srinivasa Rao, P.; Ramachandran, Pragash; Jebaraj, S.

2016-02-01

During the process of Gas Metal Arc (GMAW) welding, the weld joints mechanical properties are influenced by the welding parameters such as welding current and arc voltage. These parameters directly will influence the quality of the weld in terms of mechanical properties. Even small variation in any of the cited parameters may have an important effect on depth of penetration and on joint strength. In this study, S45C Constructional Steel is taken as the base metal to be tested using the parameters wire feed rate, voltage and type of shielding gas. Physical properties considered in the present study are tensile strength and hardness. The testing of weld specimen is carried out as per ASTM Standards. Mathematical models to predict the tensile strength and depth of penetration of weld joint have been developed by regression analysis using the experimental results.
Chemical vapor deposition growth

NASA Technical Reports Server (NTRS)

Ruth, R. P.; Manasevit, H. M.; Campbell, A. G.; Johnson, R. E.; Kenty, J. L.; Moudy, L. A.; Shaw, G. L.; Simpson, W. I.; Yang, J. J.

1978-01-01

The objective was to investigate and develop chemical vapor deposition (CVD) techniques for the growth of large areas of Si sheet on inexpensive substrate materials, with resulting sheet properties suitable for fabricating solar cells that would meet the technical goals of the Low Cost Silicon Solar Array Project. The program involved six main technical tasks: (1) modification and test of an existing vertical-chamber CVD reactor system; (2) identification and/or development of suitable inexpensive substrate materials; (3) experimental investigation of CVD process parameters using various candidate substrate materials; (4) preparation of Si sheet samples for various special studies, including solar cell fabrication; (5) evaluation of the properties of the Si sheet material produced by the CVD process; and (6) fabrication and evaluation of experimental solar cell structures, using impurity diffusion and other standard and near-standard processing techniques supplemented late in the program by the in situ CVD growth of n(+)/p/p(+) sheet structures subsequently processed into experimental cells.
Soft material adhesion characterization for in vivo locomotion of robotic capsule endoscopes: Experimental and modeling results.

PubMed

Kern, Madalyn D; Ortega Alcaide, Joan; Rentschler, Mark E

2014-11-01

The objective of this work is to validate an experimental method and nondimensional model for characterizing the normal adhesive response between a polyvinyl chloride based synthetic biological tissue substrate and a flat, cylindrical probe with a smooth polydimethylsiloxane (PDMS) surface. The adhesion response is a critical mobility design parameter of a Robotic Capsule Endoscope (RCE) using PDMS treads to provide mobility to travel through the gastrointestinal tract for diagnostic purposes. Three RCE design characteristics were chosen as input parameters for the normal adhesion testing: pre-load, dwell time and separation rate. These parameters relate to the RCE׳s cross sectional dimension, tread length, and tread speed, respectively. An inscribed central composite design (CCD) prescribed 34 different parameter configurations to be tested. The experimental adhesion response curves were nondimensionalized by the maximum stress and total displacement values for each test configuration and a mean nondimensional curve was defined with a maximum relative error of 5.6%. A mathematical model describing the adhesion behavior as a function of the maximum stress and total displacement was developed and verified. A nonlinear regression analysis was done on the maximum stress and total displacement parameters and equations were defined as a function of the RCE design parameters. The nondimensional adhesion model is able to predict the adhesion curve response of any test configuration with a mean R(2) value of 0.995. Eight additional CCD studies were performed to obtain a qualitative understanding of the impact of tread contact area and synthetic material substrate stiffness on the adhesion response. These results suggest that the nondimensionalization technique for analyzing the adhesion data is sufficient for all values of probe radius and substrate stiffness within the bounds tested. This method can now be used for RCE tread design optimization given a set of environmental conditions for device operation. Copyright © 2014 Elsevier Ltd. All rights reserved.

Recent advances in continuum plasticity: phenomenological modeling and experimentation using X-ray diffraction

NASA Astrophysics Data System (ADS)

Edmiston, John Kearney

This work explores the field of continuum plasticity from two fronts. On the theory side, we establish a complete specification of a phenomenological theory of plasticity for single crystals. The model serves as an alternative to the popular crystal plasticity formulation. Such a model has been previously proposed in the literature; the new contribution made here is the constitutive framework and resulting simulations. We calibrate the model to available data and use a simple numerical method to explore resulting predictions in plane strain boundary value problems. Results show promise for further investigation of the plasticity model. Conveniently, this theory comes with a corresponding experimental tool in X-ray diffraction. Recent advances in hardware technology at synchrotron sources have led to an increased use of the technique for studies of plasticity in the bulk of materials. The method has been successful in qualitative observations of material behavior, but its use in quantitative studies seeking to extract material properties is open for investigation. Therefore in the second component of the thesis several contributions are made to synchrotron X-ray diffraction experiments, in terms of method development as well as the quantitative reporting of constitutive parameters. In the area of method development, analytical tools are developed to determine the available precision of this type of experiment—a crucial aspect to determine if the method is to be used for quantitative studies. We also extract kinematic information relating to intragranular inhomogeneity which is not accessible with traditional methods of data analysis. In the area of constitutive parameter identification, we use the method to extract parameters corresponding to the proposed formulation of plasticity for a titanium alloy (HCP) which is continuously sampled by X-ray diffraction during uniaxial extension. These results and the lessons learned from the efforts constitute early reporting of the quantitative profitability of undertaking such a line of experimentation for the study of plastic deformation processes.
Integrated computational model of the bioenergetics of isolated lung mitochondria

PubMed Central

Zhang, Xiao; Jacobs, Elizabeth R.; Camara, Amadou K. S.; Clough, Anne V.

2018-01-01

Integrated computational modeling provides a mechanistic and quantitative framework for describing lung mitochondrial bioenergetics. Thus, the objective of this study was to develop and validate a thermodynamically-constrained integrated computational model of the bioenergetics of isolated lung mitochondria. The model incorporates the major biochemical reactions and transport processes in lung mitochondria. A general framework was developed to model those biochemical reactions and transport processes. Intrinsic model parameters such as binding constants were estimated using previously published isolated enzymes and transporters kinetic data. Extrinsic model parameters such as maximal reaction and transport velocities were estimated by fitting the integrated bioenergetics model to published and new tricarboxylic acid cycle and respirometry data measured in isolated rat lung mitochondria. The integrated model was then validated by assessing its ability to predict experimental data not used for the estimation of the extrinsic model parameters. For example, the model was able to predict reasonably well the substrate and temperature dependency of mitochondrial oxygen consumption, kinetics of NADH redox status, and the kinetics of mitochondrial accumulation of the cationic dye rhodamine 123, driven by mitochondrial membrane potential, under different respiratory states. The latter required the coupling of the integrated bioenergetics model to a pharmacokinetic model for the mitochondrial uptake of rhodamine 123 from buffer. The integrated bioenergetics model provides a mechanistic and quantitative framework for 1) integrating experimental data from isolated lung mitochondria under diverse experimental conditions, and 2) assessing the impact of a change in one or more mitochondrial processes on overall lung mitochondrial bioenergetics. In addition, the model provides important insights into the bioenergetics and respiration of lung mitochondria and how they differ from those of mitochondria from other organs. To the best of our knowledge, this model is the first for the bioenergetics of isolated lung mitochondria. PMID:29889855
Integrated computational model of the bioenergetics of isolated lung mitochondria.

PubMed

Zhang, Xiao; Dash, Ranjan K; Jacobs, Elizabeth R; Camara, Amadou K S; Clough, Anne V; Audi, Said H

2018-01-01

Integrated computational modeling provides a mechanistic and quantitative framework for describing lung mitochondrial bioenergetics. Thus, the objective of this study was to develop and validate a thermodynamically-constrained integrated computational model of the bioenergetics of isolated lung mitochondria. The model incorporates the major biochemical reactions and transport processes in lung mitochondria. A general framework was developed to model those biochemical reactions and transport processes. Intrinsic model parameters such as binding constants were estimated using previously published isolated enzymes and transporters kinetic data. Extrinsic model parameters such as maximal reaction and transport velocities were estimated by fitting the integrated bioenergetics model to published and new tricarboxylic acid cycle and respirometry data measured in isolated rat lung mitochondria. The integrated model was then validated by assessing its ability to predict experimental data not used for the estimation of the extrinsic model parameters. For example, the model was able to predict reasonably well the substrate and temperature dependency of mitochondrial oxygen consumption, kinetics of NADH redox status, and the kinetics of mitochondrial accumulation of the cationic dye rhodamine 123, driven by mitochondrial membrane potential, under different respiratory states. The latter required the coupling of the integrated bioenergetics model to a pharmacokinetic model for the mitochondrial uptake of rhodamine 123 from buffer. The integrated bioenergetics model provides a mechanistic and quantitative framework for 1) integrating experimental data from isolated lung mitochondria under diverse experimental conditions, and 2) assessing the impact of a change in one or more mitochondrial processes on overall lung mitochondrial bioenergetics. In addition, the model provides important insights into the bioenergetics and respiration of lung mitochondria and how they differ from those of mitochondria from other organs. To the best of our knowledge, this model is the first for the bioenergetics of isolated lung mitochondria.
Artificial neural networks application for modeling of friction stir welding effects on mechanical properties of 7075-T6 aluminum alloy

NASA Astrophysics Data System (ADS)

Maleki, E.

2015-12-01

Friction stir welding (FSW) is a relatively new solid-state joining technique that is widely adopted in manufacturing and industry fields to join different metallic alloys that are hard to weld by conventional fusion welding. Friction stir welding is a very complex process comprising several highly coupled physical phenomena. The complex geometry of some kinds of joints makes it difficult to develop an overall governing equations system for theoretical behavior analyse of the friction stir welded joints. Weld quality is predominantly affected by welding effective parameters, and the experiments are often time consuming and costly. On the other hand, employing artificial intelligence (AI) systems such as artificial neural networks (ANNs) as an efficient approach to solve the science and engineering problems is considerable. In present study modeling of FSW effective parameters by ANNs is investigated. To train the networks, experimental test results on thirty AA-7075-T6 specimens are considered, and the networks are developed based on back propagation (BP) algorithm. ANNs testing are carried out using different experimental data that they are not used during networks training. In this paper, rotational speed of tool, welding speed, axial force, shoulder diameter, pin diameter and tool hardness are regarded as inputs of the ANNs. Yield strength, tensile strength, notch-tensile strength and hardness of welding zone are gathered as outputs of neural networks. According to the obtained results, predicted values for the hardness of welding zone, yield strength, tensile strength and notch-tensile strength have the least mean relative error (MRE), respectively. Comparison of the predicted and the experimental results confirms that the networks are adjusted carefully, and the ANN can be used for modeling of FSW effective parameters.
Density functional theory and phytochemical study of Pistagremic acid

NASA Astrophysics Data System (ADS)

Ullah, Habib; Rauf, Abdur; Ullah, Zakir; Fazl-i-Sattar; Anwar, Muhammad; Shah, Anwar-ul-Haq Ali; Uddin, Ghias; Ayub, Khurshid

2014-01-01

We report here for the first time a comparative theoretical and experimental study of Pistagremic acid (P.A). We have developed a theoretical model for obtaining the electronic and spectroscopic properties of P.A. The simulated data showed nice correlation with the experimental data. The geometric and electronic properties were simulated at B3LYP/6-31 G (d, p) level of density functional theory (DFT). The optimized geometric parameters of P.A were found consistent with those from X-ray crystal structure. Differences of about 0.01 and 0.15 Å in bond length and 0.19-1.30° degree in the angles, respectively; were observed between the experimental and theoretical data. The theoretical vibrational bands of P.A were found to correlate with the experimental IR spectrum after a common scaling factor of 0.963. The experimental and predicted UV-Vis spectra (at B3LYP/6-31+G (d, p)) have 36 nm differences. This difference from experimental results is because of the condensed phase nature of P.A. Electronic properties such as Ionization Potential (I.P), Electron Affinities (E.A), co-efficient of highest occupied molecular orbital (HOMO), co-efficient of lowest unoccupied molecular orbital (LUMO) of P.A were estimated for the first time however, no correlation can be made with experiment. Inter-molecular interaction and its effect on vibrational (IR), electronic and geometric parameters were simulated by using Formic acid as model for hydrogen bonding in P.A.
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.
Technologies for Developing Predictive Atomistic and Coarse-Grained Force Fields for Ionic Liquid Property Prediction

DTIC Science & Technology

2008-07-29

minimization is performed. It is critical that all other force field parameters (for bonds, angles, charges, and Lennard-Jones interactions) be pre...and tailoring the parameterization accordingly may be critical . For Phase I, the above described procedure was performed manually to obtain dihedral... critical that a reliable approach is available to guide experimental efforts and design. In addition, the automation of force field development will
A Parametric Rosetta Energy Function Analysis with LK Peptides on SAM Surfaces.

PubMed

Lubin, Joseph H; Pacella, Michael S; Gray, Jeffrey J

2018-05-08

Although structures have been determined for many soluble proteins and an increasing number of membrane proteins, experimental structure determination methods are limited for complexes of proteins and solid surfaces. An economical alternative or complement to experimental structure determination is molecular simulation. Rosetta is one software suite that models protein-surface interactions, but Rosetta is normally benchmarked on soluble proteins. For surface interactions, the validity of the energy function is uncertain because it is a combination of independent parameters from energy functions developed separately for solution proteins and mineral surfaces. Here, we assess the performance of the RosettaSurface algorithm and test the accuracy of its energy function by modeling the adsorption of leucine/lysine (LK)-repeat peptides on methyl- and carboxy-terminated self-assembled monolayers (SAMs). We investigated how RosettaSurface predictions for this system compare with the experimental results, which showed that on both surfaces, LK-α peptides folded into helices and LK-β peptides held extended structures. Utilizing this model system, we performed a parametric analysis of Rosetta's Talaris energy function and determined that adjusting solvation parameters offered improved predictive accuracy. Simultaneously increasing lysine carbon hydrophilicity and the hydrophobicity of the surface methyl head groups yielded computational predictions most closely matching the experimental results. De novo models still should be interpreted skeptically unless bolstered in an integrative approach with experimental data.
Simple analysis of scattering data with the Ornstein-Zernike equation

NASA Astrophysics Data System (ADS)

Kats, E. I.; Muratov, A. R.

2018-01-01

In this paper we propose and explore a method of analysis of the scattering experimental data for uniform liquidlike systems. In our pragmatic approach we are not trying to introduce by hands an artificial small parameter to work out a perturbation theory with respect to the known results, e.g., for hard spheres or sticky hard spheres (all the more that in the agreement with the notorious Landau statement, there is no physical small parameter for liquids). Instead of it being guided by the experimental data we are solving the Ornstein-Zernike equation with a trial (variational) form of the interparticle interaction potential. To find all needed correlation functions this variational input is iterated numerically to satisfy the Ornstein-Zernike equation supplemented by a closure relation. Our method is developed for spherically symmetric scattering objects, and our numeric code is written for such a case. However, it can be extended (at the expense of more involved computations and a larger amount of required experimental input information) for nonspherical particles. What is important for our approach is that it is sufficient to know experimental data in a relatively narrow range of the scattering wave vectors (q ) to compute the static structure factor in a much broader range of q . We illustrate by a few model and real experimental examples of the x-ray and neutron scattering data how the approach works.
Analysis and Experimental Kinematics of a Skid-Steering Wheeled Robot Based on a Laser Scanner Sensor

PubMed Central

Wang, Tianmiao; Wu, Yao; Liang, Jianhong; Han, Chenhao; Chen, Jiao; Zhao, Qiteng

2015-01-01

Skid-steering mobile robots are widely used because of their simple mechanism and robustness. However, due to the complex wheel-ground interactions and the kinematic constraints, it is a challenge to understand the kinematics and dynamics of such a robotic platform. In this paper, we develop an analysis and experimental kinematic scheme for a skid-steering wheeled vehicle based-on a laser scanner sensor. The kinematics model is established based on the boundedness of the instantaneous centers of rotation (ICR) of treads on the 2D motion plane. The kinematic parameters (the ICR coefficient χ, the path curvature variable λ and robot speed v), including the effect of vehicle dynamics, are introduced to describe the kinematics model. Then, an exact but costly dynamic model is used and the simulation of this model’s stationary response for the vehicle shows a qualitative relationship for the specified parameters χ and λ. Moreover, the parameters of the kinematic model are determined based-on a laser scanner localization experimental analysis method with a skid-steering robotic platform, Pioneer P3-AT. The relationship between the ICR coefficient χ and two physical factors is studied, i.e., the radius of the path curvature λ and the robot speed v. An empirical function-based relationship between the ICR coefficient of the robot and the path parameters is derived. To validate the obtained results, it is empirically demonstrated that the proposed kinematics model significantly improves the dead-reckoning performance of this skid–steering robot. PMID:25919370
Target Capturing Control for Space Robots with Unknown Mass Properties: A Self-Tuning Method Based on Gyros and Cameras.

PubMed

Li, Zhenyu; Wang, Bin; Liu, Hong

2016-08-30

Satellite capturing with free-floating space robots is still a challenging task due to the non-fixed base and unknown mass property issues. In this paper gyro and eye-in-hand camera data are adopted as an alternative choice for solving this problem. For this improved system, a new modeling approach that reduces the complexity of system control and identification is proposed. With the newly developed model, the space robot is equivalent to a ground-fixed manipulator system. Accordingly, a self-tuning control scheme is applied to handle such a control problem including unknown parameters. To determine the controller parameters, an estimator is designed based on the least-squares technique for identifying the unknown mass properties in real time. The proposed method is tested with a credible 3-dimensional ground verification experimental system, and the experimental results confirm the effectiveness of the proposed control scheme.
Heating efficiency evaluation with mimicking plasma conditions of integrated fast-ignition experiment.

PubMed

Fujioka, Shinsuke; Johzaki, Tomoyuki; Arikawa, Yasunobu; Zhang, Zhe; Morace, Alessio; Ikenouchi, Takahito; Ozaki, Tetsuo; Nagai, Takahiro; Abe, Yuki; Kojima, Sadaoki; Sakata, Shohei; Inoue, Hiroaki; Utsugi, Masaru; Hattori, Shoji; Hosoda, Tatsuya; Lee, Seung Ho; Shigemori, Keisuke; Hironaka, Youichiro; Sunahara, Atsushi; Sakagami, Hitoshi; Mima, Kunioki; Fujimoto, Yasushi; Yamanoi, Kohei; Norimatsu, Takayoshi; Tokita, Shigeki; Nakata, Yoshiki; Kawanaka, Junji; Jitsuno, Takahisa; Miyanaga, Noriaki; Nakai, Mitsuo; Nishimura, Hiroaki; Shiraga, Hiroyuki; Nagatomo, Hideo; Azechi, Hiroshi

2015-06-01

A series of experiments were carried out to evaluate the energy-coupling efficiency from heating laser to a fuel core in the fast-ignition scheme of laser-driven inertial confinement fusion. Although the efficiency is determined by a wide variety of complex physics, from intense laser plasma interactions to the properties of high-energy density plasmas and the transport of relativistic electron beams (REB), here we simplify the physics by breaking down the efficiency into three measurable parameters: (i) energy conversion ratio from laser to REB, (ii) probability of collision between the REB and the fusion fuel core, and (iii) fraction of energy deposited in the fuel core from the REB. These three parameters were measured with the newly developed experimental platform designed for mimicking the plasma conditions of a realistic integrated fast-ignition experiment. The experimental results indicate that the high-energy tail of REB must be suppressed to heat the fuel core efficiently.
Target Capturing Control for Space Robots with Unknown Mass Properties: A Self-Tuning Method Based on Gyros and Cameras

PubMed Central

Li, Zhenyu; Wang, Bin; Liu, Hong

2016-01-01

Satellite capturing with free-floating space robots is still a challenging task due to the non-fixed base and unknown mass property issues. In this paper gyro and eye-in-hand camera data are adopted as an alternative choice for solving this problem. For this improved system, a new modeling approach that reduces the complexity of system control and identification is proposed. With the newly developed model, the space robot is equivalent to a ground-fixed manipulator system. Accordingly, a self-tuning control scheme is applied to handle such a control problem including unknown parameters. To determine the controller parameters, an estimator is designed based on the least-squares technique for identifying the unknown mass properties in real time. The proposed method is tested with a credible 3-dimensional ground verification experimental system, and the experimental results confirm the effectiveness of the proposed control scheme. PMID:27589748
Predicting RNA pseudoknot folding thermodynamics

PubMed Central

Cao, Song; Chen, Shi-Jie

2006-01-01

Based on the experimentally determined atomic coordinates for RNA helices and the self-avoiding walks of the P (phosphate) and C4 (carbon) atoms in the diamond lattice for the polynucleotide loop conformations, we derive a set of conformational entropy parameters for RNA pseudoknots. Based on the entropy parameters, we develop a folding thermodynamics model that enables us to compute the sequence-specific RNA pseudoknot folding free energy landscape and thermodynamics. The model is validated through extensive experimental tests both for the native structures and for the folding thermodynamics. The model predicts strong sequence-dependent helix-loop competitions in the pseudoknot stability and the resultant conformational switches between different hairpin and pseudoknot structures. For instance, for the pseudoknot domain of human telomerase RNA, a native-like and a misfolded hairpin intermediates are found to coexist on the (equilibrium) folding pathways, and the interplay between the stabilities of these intermediates causes the conformational switch that may underlie a human telomerase disease. PMID:16709732
Experimental investigation and performance analysis of six low flow coefficient centrifugal compressor stages

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

Paroubek, J.; Cyrus, V.; Kyncl, J.

1995-10-01

Some results of a research and development program for centrifugal compressors are presented. Six-stage configurations with low flow coefficient were tested. The stages had channel width parameter b{sub 2}/D{sub 2} = 0.01 and 0.03. For each value of the width parameter, three different impellers with inlet hub to outlet diameter ratio d{sub 0}/D{sub 2} = 0.3, 0.4, and 0.5 were designed. Test rig, instrumentation, and data analysis are described. Special attention was devoted to probe calibrations and to evaluation of the leakage, bearing, and disk friction losses. Aerodynamic performance of all tested stages is presented. Slip factors of impellers obtainedmore » experimentally and theoretically are compared. Losses in both vaneless diffuser and return channel with deswirl vanes are discussed. Rotating stall was also investigated. Criteria for stall limit were tested.« less
Independent-particle models for light negative atomic ions

NASA Technical Reports Server (NTRS)

Ganas, P. S.; Talman, J. D.; Green, A. E. S.

1980-01-01

For the purposes of astrophysical, aeronomical, and laboratory application, a precise independent-particle model for electrons in negative atomic ions of the second and third period is discussed. The optimum-potential model (OPM) of Talman et al. (1979) is first used to generate numerical potentials for eight of these ions. Results for total energies and electron affinities are found to be very close to Hartree-Fock solutions. However, the OPM and HF electron affinities both depart significantly from experimental affinities. For this reason, two analytic potentials are developed whose inner energy levels are very close to the OPM and HF levels but whose last electron eigenvalues are adjusted precisely with the magnitudes of experimental affinities. These models are: (1) a four-parameter analytic characterization of the OPM potential and (2) a two-parameter potential model of the Green, Sellin, Zachor type. The system O(-) or e-O, which is important in upper atmospheric physics is examined in some detail.
Impact of the volume of rooms on shock wave propagation within a multi-chamber system

NASA Astrophysics Data System (ADS)

Julien, B.; Sochet, I.; Vaillant, T.

2016-03-01

The behavior of a shock wave generated by a hemispherical gaseous charge and propagating within a confined multi-chamber system is analyzed through the evolution of some of the shock parameters (maximum overpressure and positive impulse). The influence of a variation in the volume of the rooms on the pressure history inside the building is also studied. Several small-scale experiments have been carried out using an adjustable model representative of a pyrotechnic workshop. The experimental results show that the pressure histories are very complex. Yet, using a global approach, we were able to link the evolution of the arrival time of the shock wave within the building with the reference obtained in the free field. New parameters were developed to best fit the experimental maximal overpressure in the cells and in the corridor leading to two predictive laws used to estimate the maximal overpressure in the model.
Molecular structure and spectroscopic investigation of sodium(E)-2-hydroxy-5-((4-sulfonatophenyl)diazenyl)benzoate: A DFT study

NASA Astrophysics Data System (ADS)

Shahab, Siyamak; Kumar, Rakesh; Darroudi, Mahdieh; Yousefzadeh Borzehandani, Mostafa

2015-03-01

Quantum-chemical calculations using the Density Functional Theory (DFT) approach for structural analysis of new azodye sodium(E)-2-hydroxy-5-((4-sulfonatophenyl)diazenyl) (trans isomer) is carried out using B3LYP methods with 6-31G∗ basis set. The comparison of measured UV-Vis data, IR and NMR spectra of the molecule with the experimental data were also described which allowed assignment of major spectral features of title molecule. The optimized geometrical parameters obtained by B3LYP methods show a good agreement with experimental data. On the basis of polyvinyl alcohol (PVA) and the dichroic synthesized dye polarizer absorbing in the UV region of the spectrum (λmax = 353 nm) with the effect of polarization in the absorption maximum 96% was developed. The spectral-polarization parameters of stretched PVA-films were calculated.
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.
Optimization to the Culture Conditions for Phellinus Production with Regression Analysis and Gene-Set Based Genetic Algorithm

PubMed Central

Li, Zhongwei; Xin, Yuezhen; Wang, Xun; Sun, Beibei; Xia, Shengyu; Li, Hui

2016-01-01

Phellinus is a kind of fungus and is known as one of the elemental components in drugs to avoid cancers. With the purpose of finding optimized culture conditions for Phellinus production in the laboratory, plenty of experiments focusing on single factor were operated and large scale of experimental data were generated. In this work, we use the data collected from experiments for regression analysis, and then a mathematical model of predicting Phellinus production is achieved. Subsequently, a gene-set based genetic algorithm is developed to optimize the values of parameters involved in culture conditions, including inoculum size, PH value, initial liquid volume, temperature, seed age, fermentation time, and rotation speed. These optimized values of the parameters have accordance with biological experimental results, which indicate that our method has a good predictability for culture conditions optimization. PMID:27610365

Oxidative stress is not associated with vascular dysfunction in a model of alloxan-induced diabetic rats.

PubMed

Capellini, Verena Kise; Baldo, Caroline Floreoto; Celotto, Andréa Carla; Batalhão, Marcelo Eduardo; Cárnio, Evelin Capellari; Rodrigues, Alfredo José; Evora, Paulo Roberto Barbosa

2010-08-01

To verify if an experimental model of alloxan-diabetic rats promotes oxidative stress, reduces nitric oxide bioavailability and causes vascular dysfunction, and to evaluate the effect of N-acetylcysteine (NAC) on these parameters. Alloxan-diabetic rats were treated or not with NAC for four weeks. Plasmatic levels of malondialdehyde (MDA) and nitrite/nitrate (NOx), the endothelial and inducible nitric oxide synthase (eNOS and iNOS) immunostaining and the vascular reactivity of aorta were compared among diabetic (D), treated diabetic (TD) and control (C) rats. MDA levels increased in D and TD. NOx levels did not differ among groups. Endothelial eNOS immunostaining reduced and adventitial iNOS increased in D and TD. The responsiveness of rings to acetylcholine, sodium nitroprusside, and phenylephrine did not differ among groups. NAC had no effect on the evaluated parameters and this experimental model did not promote vascular dysfunction despite the development of oxidative stress.
Iron and manganese removal: Recent advances in modelling treatment efficiency by rapid sand filtration.

PubMed

Vries, D; Bertelkamp, C; Schoonenberg Kegel, F; Hofs, B; Dusseldorp, J; Bruins, J H; de Vet, W; van den Akker, B

2017-02-01

A model has been developed that takes into account the main characteristics of (submerged) rapid filtration: the water quality parameters of the influent water, notably pH, iron(II) and manganese(II) concentrations, homogeneous oxidation in the supernatant layer, surface sorption and heterogeneous oxidation kinetics in the filter, and filter media adsorption characteristics. Simplifying assumptions are made to enable validation in practice, while maintaining the main mechanisms involved in iron(II) and manganese(II) removal. Adsorption isotherm data collected from different Dutch treatment sites show that Fe(II)/Mn(II) adsorption may vary substantially between them, but generally increases with higher pH. The model is sensitive to (experimentally) determined adsorption parameters and the heterogeneous oxidation rate. Model results coincide with experimental values when the heterogeneous rate constants are calibrated. Copyright © 2016 Elsevier Ltd. All rights reserved.
Fast valve based on double-layer eddy-current repulsion for disruption mitigation in Experimental Advanced Superconducting Tokamak.

PubMed

Zhuang, H D; Zhang, X D

2015-05-01

A fast valve based on the double-layer eddy-current repulsion mechanism has been developed on Experimental Advanced Superconducting Tokamak (EAST). In addition to a double-layer eddy-current coil, a preload system was added to improve the security of the valve, whereby the valve opens more quickly and the open-valve time becomes shorter, making it much safer than before. In this contribution, testing platforms, open-valve characteristics, and throughput of the fast valve are discussed. Tests revealed that by choosing appropriate parameters the valve opened within 0.15 ms, and open-valve times were no longer than 2 ms. By adjusting working parameter values, the maximum number of particles injected during this open-valve time was estimated at 7 × 10(22). The fast valve will become a useful tool to further explore disruption mitigation experiments on EAST in 2015.
Finite element analysis of history-dependent damage in time-dependent fracture mechanics

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

Krishnaswamy, P.; Brust, F.W.; Ghadiali, N.D.

1993-11-01

The demands for structural systems to perform reliably under both severe and changing operating conditions continue to increase. Under these conditions time-dependent straining and history-dependent damage become extremely important. This work focuses on studying creep crack growth using finite element (FE) analysis. Two important issues, namely, (1) the use of history-dependent constitutive laws, and (2) the use of various fracture parameters in predicting creep crack growth, have both been addressed in this work. The constitutive model used here is the one developed by Murakami and Ohno and is based on the concept of a creep hardening surface. An implicit FEmore » algorithm for this model was first developed and verified for simple geometries and loading configurations. The numerical methodology developed here has been used to model stationary and growing cracks in CT specimens. Various fracture parameters such as the C[sub 1], C[sup *], T[sup *], J were used to compare the numerical predictions with experimental results available in the literature. A comparison of the values of these parameters as a function of time has been made for both stationary and growing cracks. The merit of using each of these parameters has also been discussed.« less
Confocal arthroscopy-based patient-specific constitutive models of cartilaginous tissues - II: prediction of reaction force history of meniscal cartilage specimens.

PubMed

Taylor, Zeike A; Kirk, Thomas B; Miller, Karol

2007-10-01

The theoretical framework developed in a companion paper (Part I) is used to derive estimates of mechanical response of two meniscal cartilage specimens. The previously developed framework consisted of a constitutive model capable of incorporating confocal image-derived tissue microstructural data. In the present paper (Part II) fibre and matrix constitutive parameters are first estimated from mechanical testing of a batch of specimens similar to, but independent from those under consideration. Image analysis techniques which allow estimation of tissue microstructural parameters form confocal images are presented. The constitutive model and image-derived structural parameters are then used to predict the reaction force history of the two meniscal specimens subjected to partially confined compression. The predictions are made on the basis of the specimens' individual structural condition as assessed by confocal microscopy and involve no tuning of material parameters. Although the model does not reproduce all features of the experimental curves, as an unfitted estimate of mechanical response the prediction is quite accurate. In light of the obtained results it is judged that more general non-invasive estimation of tissue mechanical properties is possible using the developed framework.
Toward a general physiologically-based pharmacokinetic model for intravenously injected nanoparticles.

PubMed

Carlander, Ulrika; Li, Dingsheng; Jolliet, Olivier; Emond, Claude; Johanson, Gunnar

2016-01-01

To assess the potential toxicity of nanoparticles (NPs), information concerning their uptake and disposition (biokinetics) is essential. Experience with industrial chemicals and pharmaceutical drugs reveals that biokinetics can be described and predicted accurately by physiologically-based pharmacokinetic (PBPK) modeling. The nano PBPK models developed to date all concern a single type of NP. Our aim here was to extend a recent model for pegylated polyacrylamide NP in order to develop a more general PBPK model for nondegradable NPs injected intravenously into rats. The same model and physiological parameters were applied to pegylated polyacrylamide, uncoated polyacrylamide, gold, and titanium dioxide NPs, whereas NP-specific parameters were chosen on the basis of the best fit to the experimental time-courses of NP accumulation in various tissues. Our model describes the biokinetic behavior of all four types of NPs adequately, despite extensive differences in this behavior as well as in their physicochemical properties. In addition, this simulation demonstrated that the dose exerts a profound impact on the biokinetics, since saturation of the phagocytic cells at higher doses becomes a major limiting step. The fitted model parameters that were most dependent on NP type included the blood:tissue coefficients of permeability and the rate constant for phagocytic uptake. Since only four types of NPs with several differences in characteristics (dose, size, charge, shape, and surface properties) were used, the relationship between these characteristics and the NP-dependent model parameters could not be elucidated and more experimental data are required in this context. In this connection, intravenous biodistribution studies with associated PBPK analyses would provide the most insight.
SF-FDTD analysis of a predictive physical model for parallel aligned liquid crystal devices

NASA Astrophysics Data System (ADS)

Márquez, Andrés.; Francés, Jorge; Martínez, Francisco J.; Gallego, Sergi; Alvarez, Mariela L.; Calzado, Eva M.; Pascual, Inmaculada; Beléndez, Augusto

2017-08-01

Recently we demonstrated a novel and simplified model enabling to calculate the voltage dependent retardance provided by parallel aligned liquid crystal devices (PA-LCoS) for a very wide range of incidence angles and any wavelength in the visible. To our knowledge it represents the most simplified approach still showing predictive capability. Deeper insight into the physics behind the simplified model is necessary to understand if the parameters in the model are physically meaningful. Since the PA-LCoS is a black-box where we do not have information about the physical parameters of the device, we cannot perform this kind of analysis using the experimental retardance measurements. In this work we develop realistic simulations for the non-linear tilt of the liquid crystal director across the thickness of the liquid crystal layer in the PA devices. We consider these profiles to have a sine-like shape, which is a good approximation for typical ranges of applied voltage in commercial PA-LCoS microdisplays. For these simulations we develop a rigorous method based on the split-field finite difference time domain (SF-FDTD) technique which provides realistic retardance values. These values are used as the experimental measurements to which the simplified model is fitted. From this analysis we learn that the simplified model is very robust, providing unambiguous solutions when fitting its parameters. We also learn that two of the parameters in the model are physically meaningful, proving a useful reverse-engineering approach, with predictive capability, to probe into internal characteristics of the PA-LCoS device.
Development of model for studies on momentum transfer in electrochemical cells with entry region coil as turbulence promoter

NASA Astrophysics Data System (ADS)

Penta Rao, Tamarba; Rajendra Prasad, P.

2018-04-01

Entry region swirl promoters gain importance in industry because of its effectiveness in augmentation of mass and heat transfer augmentation. Design of equipment needs momentum transfer data along with mass or heat transfer data. Hence an experimental investigation was carried out with coaxially placed entry region spiral coil as turbulence promoters on momentum transfer in forced convection flow of electrolyte in circular conduits. Aqueous solution of sodium hydroxide and 0.01 M equimolal Ferri-ferro cyanide system was chosen for the study. The study covered parameters like effect of pitch of the coil, effect of length of the coil, diameter of the coil, diameter of the coil wire, diameter of the annular rod. The promoter is measured by limiting current technique using diffusion controlled electrochemical reactions. The study comprises of evaluation of momentum transfer rates at the outer wall of the electrochemical cell. Pressure drop measurements were also made to obtain the energy consumption pattern. Within the range of variables covered. The results are correlated by the momentum transfer similarity function. Momentum transfer coefficients were evaluated from measured limiting currents. Effect of each parameter was studied in terms of friction factor. A model was developed for momentum transfer. The experimental data on momentum transfer was modeled in terms of momentum transfer function and Reynolds number, geometric parameters.
Solubility Prediction of Active Pharmaceutical Compounds with the UNIFAC Model

NASA Astrophysics Data System (ADS)

Nouar, Abderrahim; Benmessaoud, Ibtissem; Koutchoukali, Ouahiba; Koutchoukali, Mohamed Salah

2016-03-01

The crystallization from solution of an active pharmaceutical ingredient requires the knowledge of the solubility in the entire temperature range investigated during the process. However, during the development of a new active ingredient, these data are missing. Its experimental determination is possible, but tedious. UNIFAC Group contribution method Fredenslund et al. (Vapor-liquid equilibria using UNIFAC: a group contribution method, 1977; AIChE J 21:1086, 1975) can be used to predict this physical property. Several modifications on this model have been proposed since its development in 1977, modified UNIFAC of Dortmund Weidlich et al. (Ind Eng Chem Res 26:1372, 1987), Gmehling et al. (Ind Eng Chem Res 32:178, 1993), Pharma-modified UNIFAC Diedrichs et al. (Evaluation und Erweiterung thermodynamischer Modelle zur Vorhersage von Wirkstofflöslichkeiten, PhD Thesis, 2010), KT-UNIFAC Kang et al. (Ind Eng Chem Res 41:3260, 2002), ldots In this study, we used UNIFAC model by considering the linear temperature dependence of interaction parameters as in Pharma-modified UNIFAC and structural groups as defined by KT-UNIFAC first-order model. More than 100 binary datasets were involved in the estimation of interaction parameters. These new parameters were then used to calculate activity coefficient and solubility of some molecules in various solvents at different temperatures. The model gives better results than those from the original UNIFAC and shows good agreement between the experimental solubility and the calculated one.
A Kinetic Model for Calcium Dynamics in RAW 264.7 Cells: 1. Mechanisms, Parameters, and Subpopulational Variability

PubMed Central

Maurya, Mano Ram; Subramaniam, Shankar

2007-01-01

Calcium (Ca2+) is an important second messenger and has been the subject of numerous experimental measurements and mechanistic studies in intracellular signaling. Calcium profile can also serve as a useful cellular phenotype. Kinetic models of calcium dynamics provide quantitative insights into the calcium signaling networks. We report here the development of a complex kinetic model for calcium dynamics in RAW 264.7 cells stimulated by the C5a ligand. The model is developed using the vast number of measurements of in vivo calcium dynamics carried out in the Alliance for Cellular Signaling (AfCS) Laboratories. Ligand binding, phospholipase C-β (PLC-β) activation, inositol 1,4,5-trisphosphate (IP3) receptor (IP3R) dynamics, and calcium exchange with mitochondria and extracellular matrix have all been incorporated into the model. The experimental data include data from both native and knockdown cell lines. Subpopulational variability in measurements is addressed by allowing nonkinetic parameters to vary across datasets. The model predicts temporal response of Ca2+ concentration for various doses of C5a under different initial conditions. The optimized parameters for IP3R dynamics are in agreement with the legacy data. Further, the half-maximal effect concentration of C5a and the predicted dose response are comparable to those seen in AfCS measurements. Sensitivity analysis shows that the model is robust to parametric perturbations. PMID:17483174
Evaluation of the predictive capability of coupled thermo-hydro-mechanical models for a heated bentonite/clay system (HE-E) in the Mont Terri Rock Laboratory

DOE PAGES

Garitte, B.; Shao, H.; Wang, X. R.; ...

2017-01-09

Process understanding and parameter identification using numerical methods based on experimental findings are a key aspect of the international cooperative project DECOVALEX. Comparing the predictions from numerical models against experimental results increases confidence in the site selection and site evaluation process for a radioactive waste repository in deep geological formations. In the present phase of the project, DECOVALEX-2015, eight research teams have developed and applied models for simulating an in-situ heater experiment HE-E in the Opalinus Clay in the Mont Terri Rock Laboratory in Switzerland. The modelling task was divided into two study stages, related to prediction and interpretation ofmore » the experiment. A blind prediction of the HE-E experiment was performed based on calibrated parameter values for both the Opalinus Clay, that were based on the modelling of another in-situ experiment (HE-D), and modelling of laboratory column experiments on MX80 granular bentonite and a sand/bentonite mixture .. After publication of the experimental data, additional coupling functions were analysed and considered in the different models. Moreover, parameter values were varied to interpret the measured temperature, relative humidity and pore pressure evolution. The analysis of the predictive and interpretative results reveals the current state of understanding and predictability of coupled THM behaviours associated with geologic nuclear waste disposal in clay formations.« less
Estimating non-isothermal bacterial growth in foods from isothermal experimental data.

PubMed

Corradini, M G; Peleg, M

2005-01-01

To develop a mathematical method to estimate non-isothermal microbial growth curves in foods from experiments performed under isothermal conditions and demonstrate the method's applicability with published growth data. Published isothermal growth curves of Pseudomonas spp. in refrigerated fish at 0-8 degrees C and Escherichia coli 1952 in a nutritional broth at 27.6-36 degrees C were fitted with two different three-parameter 'primary models' and the temperature dependence of their parameters was fitted by ad hoc empirical 'secondary models'. These were used to generate non-isothermal growth curves by solving, numerically, a differential equation derived on the premise that the momentary non-isothermal growth rate is the isothermal rate at the momentary temperature, at a time that corresponds to the momentary growth level of the population. The predicted non-isothermal growth curves were in agreement with the reported experimental ones and, as expected, the quality of the predictions did not depend on the 'primary model' chosen for the calculation. A common type of sigmoid growth curve can be adequately described by three-parameter 'primary models'. At least in the two systems examined, these could be used to predict growth patterns under a variety of continuous and discontinuous non-isothermal temperature profiles. The described mathematical method whenever validated experimentally will enable the simulation of the microbial quality of stored and transported foods under a large variety of existing or contemplated commercial temperature histories.
Evaluation of the predictive capability of coupled thermo-hydro-mechanical models for a heated bentonite/clay system (HE-E) in the Mont Terri Rock Laboratory

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

Garitte, B.; Shao, H.; Wang, X. R.

Process understanding and parameter identification using numerical methods based on experimental findings are a key aspect of the international cooperative project DECOVALEX. Comparing the predictions from numerical models against experimental results increases confidence in the site selection and site evaluation process for a radioactive waste repository in deep geological formations. In the present phase of the project, DECOVALEX-2015, eight research teams have developed and applied models for simulating an in-situ heater experiment HE-E in the Opalinus Clay in the Mont Terri Rock Laboratory in Switzerland. The modelling task was divided into two study stages, related to prediction and interpretation ofmore » the experiment. A blind prediction of the HE-E experiment was performed based on calibrated parameter values for both the Opalinus Clay, that were based on the modelling of another in-situ experiment (HE-D), and modelling of laboratory column experiments on MX80 granular bentonite and a sand/bentonite mixture .. After publication of the experimental data, additional coupling functions were analysed and considered in the different models. Moreover, parameter values were varied to interpret the measured temperature, relative humidity and pore pressure evolution. The analysis of the predictive and interpretative results reveals the current state of understanding and predictability of coupled THM behaviours associated with geologic nuclear waste disposal in clay formations.« less
Testing for characterization of the materials from radiological point of view

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

Bercea, Sorin; Iliescu, Elena; Dudu, Dorin

2013-12-16

The nuclear techniques and materials are now used in a large number of applications, both in medicine and industry. Due to this fact, new materials are needed in order to assure the radiological protection of the personnel involved in these activities. But, finally, all these materials have to be tested for some specific parameters, in order to prove that they are adequate for the purposed for which they were created. One of the important parameters of the materials used for the radiological protection is the attenuation coefficient. The attenuation coefficient of the ionizing radiation composed by particles without electrical chargemore » (X,γ-ray and neutron) is the most important parameter for the materials used for the shielding of these ionizing radiation. This paper deals with the experimental methods developed for the determination of the attenuation of fast and thermal neutrons. These experimental methods, involved the use of Am-Be source and U-120 Cyclotron of IFIN-HH. For the tests which were done at the U-120 Cyclotron, a number of experiments had to be performed, in order to establish the irradiation geometry and the dose equivalent rates in front of and behind the material samples. The experimental results obtained for samples of several materials, confirmed the methods as adequate for the aim of the test.« less
Impedance analysis of GPCR-mediated changes in endothelial barrier function: overview, and fundamental considerations for stable and reproducible measurements

PubMed Central

Stolwijk, Judith A.; Matrougui, Khalid; Renken, Christian W.; Trebak, Mohamed

2014-01-01

The past 20 years have seen significant growth in using impedance-based assays to understand the molecular underpinning of endothelial and epithelial barrier function in response to physiological agonists, pharmacological and toxicological compounds. Most studies on barrier function use G protein coupled receptor (GPCR) agonists which couple to fast and transient changes in barrier properties. The power of impedance based techniques such as Electric Cell-Substrate Impedance Sensing (ECIS) reside in its ability to detect minute changes in cell layer integrity label-free and in real-time ranging from seconds to days. We provide a comprehensive overview of the biophysical principles, applications and recent developments in impedance-based methodologies. Despite extensive application of impedance analysis in endothelial barrier research little attention has been paid to data analysis and critical experimental variables, which are both essential for signal stability and reproducibility. We describe the rationale behind common ECIS data presentation and interpretation and illustrate practical guidelines to improve signal intensity by adapting technical parameters such as electrode layout, monitoring frequency or parameter (resistance versus impedance magnitude). Moreover, we discuss the impact of experimental parameters, including cell source, liquid handling and agonist preparation on signal intensity and kinetics. Our discussions are supported by experimental data obtained from human microvascular endothelial cells challenged with three GPCR agonists, thrombin, histamine and Sphingosine-1-Phosphate. PMID:25537398
Impedance analysis of GPCR-mediated changes in endothelial barrier function: overview and fundamental considerations for stable and reproducible measurements.

PubMed

Stolwijk, Judith A; Matrougui, Khalid; Renken, Christian W; Trebak, Mohamed

2015-10-01

The past 20 years has seen significant growth in using impedance-based assays to understand the molecular underpinning of endothelial and epithelial barrier function in response to physiological agonists and pharmacological and toxicological compounds. Most studies on barrier function use G protein-coupled receptor (GPCR) agonists which couple to fast and transient changes in barrier properties. The power of impedance-based techniques such as electric cell-substrate impedance sensing (ECIS) resides in its ability to detect minute changes in cell layer integrity label-free and in real-time ranging from seconds to days. We provide a comprehensive overview of the biophysical principles, applications, and recent developments in impedance-based methodologies. Despite extensive application of impedance analysis in endothelial barrier research, little attention has been paid to data analysis and critical experimental variables, which are both essential for signal stability and reproducibility. We describe the rationale behind common ECIS data presentation and interpretation and illustrate practical guidelines to improve signal intensity by adapting technical parameters such as electrode layout, monitoring frequency, or parameter (resistance versus impedance magnitude). Moreover, we discuss the impact of experimental parameters, including cell source, liquid handling, and agonist preparation on signal intensity and kinetics. Our discussions are supported by experimental data obtained from human microvascular endothelial cells challenged with three GPCR agonists, thrombin, histamine, and sphingosine-1-phosphate.
Experimental study on secondary electron emission characteristics of Cu

NASA Astrophysics Data System (ADS)

Liu, Shenghua; Liu, Yudong; Wang, Pengcheng; Liu, Weibin; Pei, Guoxi; Zeng, Lei; Sun, Xiaoyang

2018-02-01

Secondary electron emission (SEE) of a surface is the origin of the multipacting effect which could seriously deteriorate beam quality and even perturb the normal operation of particle accelerators. Experimental measurements on secondary electron yield (SEY) for different materials and coatings have been developed in many accelerator laboratories. In fact, the SEY is just one parameter of secondary electron emission characteristics which include spatial and energy distribution of emitted electrons. A novel experimental apparatus was set up in China Spallation Neutron Source, and an innovative method was applied to obtain the whole characteristics of SEE. Taking Cu as the sample, secondary electron yield, its dependence on beam injection angle, and the spatial and energy distribution of secondary electrons were achieved with this measurement device. The method for spatial distribution measurement was first proposed and verified experimentally. This contribution also tries to give all the experimental results a reasonable theoretical analysis and explanation.
qPIPSA: Relating enzymatic kinetic parameters and interaction fields

PubMed Central

Gabdoulline, Razif R; Stein, Matthias; Wade, Rebecca C

2007-01-01

Background The simulation of metabolic networks in quantitative systems biology requires the assignment of enzymatic kinetic parameters. Experimentally determined values are often not available and therefore computational methods to estimate these parameters are needed. It is possible to use the three-dimensional structure of an enzyme to perform simulations of a reaction and derive kinetic parameters. However, this is computationally demanding and requires detailed knowledge of the enzyme mechanism. We have therefore sought to develop a general, simple and computationally efficient procedure to relate protein structural information to enzymatic kinetic parameters that allows consistency between the kinetic and structural information to be checked and estimation of kinetic constants for structurally and mechanistically similar enzymes. Results We describe qPIPSA: quantitative Protein Interaction Property Similarity Analysis. In this analysis, molecular interaction fields, for example, electrostatic potentials, are computed from the enzyme structures. Differences in molecular interaction fields between enzymes are then related to the ratios of their kinetic parameters. This procedure can be used to estimate unknown kinetic parameters when enzyme structural information is available and kinetic parameters have been measured for related enzymes or were obtained under different conditions. The detailed interaction of the enzyme with substrate or cofactors is not modeled and is assumed to be similar for all the proteins compared. The protein structure modeling protocol employed ensures that differences between models reflect genuine differences between the protein sequences, rather than random fluctuations in protein structure. Conclusion Provided that the experimental conditions and the protein structural models refer to the same protein state or conformation, correlations between interaction fields and kinetic parameters can be established for sets of related enzymes. Outliers may arise due to variation in the importance of different contributions to the kinetic parameters, such as protein stability and conformational changes. The qPIPSA approach can assist in the validation as well as estimation of kinetic parameters, and provide insights into enzyme mechanism. PMID:17919319
Optimization of MR fluid Yield stress using Taguchi Method and Response Surface Methodology Techniques

NASA Astrophysics Data System (ADS)

Mangal, S. K.; Sharma, Vivek

2018-02-01

Magneto rheological fluids belong to a class of smart materials whose rheological characteristics such as yield stress, viscosity etc. changes in the presence of applied magnetic field. In this paper, optimization of MR fluid constituents is obtained with on-state yield stress as response parameter. For this, 18 samples of MR fluids are prepared using L-18 Orthogonal Array. These samples are experimentally tested on a developed & fabricated electromagnet setup. It has been found that the yield stress of MR fluid mainly depends on the volume fraction of the iron particles and type of carrier fluid used in it. The optimal combination of the input parameters for the fluid are found to be as Mineral oil with a volume percentage of 67%, iron powder of 300 mesh size with a volume percentage of 32%, oleic acid with a volume percentage of 0.5% and tetra-methyl-ammonium-hydroxide with a volume percentage of 0.7%. This optimal combination of input parameters has given the on-state yield stress as 48.197 kPa numerically. An experimental confirmation test on the optimized MR fluid sample has been then carried out and the response parameter thus obtained has found matching quite well (less than 1% error) with the numerically obtained values.
Parameterization of a mesoscopic model for the self-assembly of linear sodium alkyl sulfates

NASA Astrophysics Data System (ADS)

Mai, Zhaohuan; Couallier, Estelle; Rakib, Mohammed; Rousseau, Bernard

2014-05-01

A systematic approach to develop mesoscopic models for a series of linear anionic surfactants (CH3(CH2)n - 1OSO3Na, n = 6, 9, 12, 15) by dissipative particle dynamics (DPD) simulations is presented in this work. The four surfactants are represented by coarse-grained models composed of the same head group and different numbers of identical tail beads. The transferability of the DPD model over different surfactant systems is carefully checked by adjusting the repulsive interaction parameters and the rigidity of surfactant molecules, in order to reproduce key equilibrium properties of the aqueous micellar solutions observed experimentally, including critical micelle concentration (CMC) and average micelle aggregation number (Nag). We find that the chain length is a good index to optimize the parameters and evaluate the transferability of the DPD model. Our models qualitatively reproduce the essential properties of these surfactant analogues with a set of best-fit parameters. It is observed that the logarithm of the CMC value decreases linearly with the surfactant chain length, in agreement with Klevens' rule. With the best-fit and transferable set of parameters, we have been able to calculate the free energy contribution to micelle formation per methylene unit of -1.7 kJ/mol, very close to the experimentally reported value.

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