Improving Hall Thruster Plume Simulation through Refined Characterization of Near-field Plasma Properties

NASA Astrophysics Data System (ADS)

Huismann, Tyler D.

Due to the rapidly expanding role of electric propulsion (EP) devices, it is important to evaluate their integration with other spacecraft systems. Specifically, EP device plumes can play a major role in spacecraft integration, and as such, accurate characterization of plume structure bears on mission success. This dissertation addresses issues related to accurate prediction of plume structure in a particular type of EP device, a Hall thruster. This is done in two ways: first, by coupling current plume simulation models with current models that simulate a Hall thruster's internal plasma behavior; second, by improving plume simulation models and thereby increasing physical fidelity. These methods are assessed by comparing simulated results to experimental measurements. Assessment indicates the two methods improve plume modeling capabilities significantly: using far-field ion current density as a metric, these approaches used in conjunction improve agreement with measurements by a factor of 2.5, as compared to previous methods. Based on comparison to experimental measurements, recent computational work on discharge chamber modeling has been largely successful in predicting properties of internal thruster plasmas. This model can provide detailed information on plasma properties at a variety of locations. Frequently, experimental data is not available at many locations that are of interest regarding computational models. Excepting the presence of experimental data, there are limited alternatives for scientifically determining plasma properties that are necessary as inputs into plume simulations. Therefore, this dissertation focuses on coupling current models that simulate internal thruster plasma behavior with plume simulation models. Further, recent experimental work on atom-ion interactions has provided a better understanding of particle collisions within plasmas. This experimental work is used to update collision models in a current plume simulation code. Previous versions of the code assume an unknown dependence between particles' pre-collision velocities and post-collision scattering angles. This dissertation focuses on updating several of these types of collisions by assuming a curve fit based on the measurements of atom-ion interactions, such that previously unknown angular dependences are well-characterized.

An in-depth analysis of temperature effect on DIBL in UTBB FD SOI MOSFETs based on experimental data, numerical simulations and analytical models

NASA Astrophysics Data System (ADS)

Pereira, A. S. N.; de Streel, G.; Planes, N.; Haond, M.; Giacomini, R.; Flandre, D.; Kilchytska, V.

2017-02-01

The Drain Induced Barrier Lowering (DIBL) behavior in Ultra-Thin Body and Buried oxide (UTBB) transistors is investigated in details in the temperature range up to 150 °C, for the first time to the best of our knowledge. The analysis is based on experimental data, physical device simulation, compact model (SPICE) simulation and previously published models. Contrary to MASTAR prediction, experiments reveal DIBL increase with temperature. Physical device simulations of different thin-film fully-depleted (FD) devices outline the generality of such behavior. SPICE simulations, with UTSOI DK2.4 model, only partially adhere to experimental trends. Several analytic models available in the literature are assessed for DIBL vs. temperature prediction. Although being the closest to experiments, Fasarakis' model overestimates DIBL(T) dependence for shortest devices and underestimates it for upsized gate lengths frequently used in ultra-low-voltage (ULV) applications. This model is improved in our work, by introducing a temperature-dependent inversion charge at threshold. The improved model shows very good agreement with experimental data, with high gain in precision for the gate lengths under test.

Comparison the Results of Numerical Simulation And Experimental Results for Amirkabir Plasma Focus Facility

NASA Astrophysics Data System (ADS)

Goudarzi, Shervin; Amrollahi, R.; Niknam Sharak, M.

2014-06-01

In this paper the results of the numerical simulation for Amirkabir Mather-type Plasma Focus Facility (16 kV, 36μF and 115 nH) in several experiments with Argon as working gas at different working conditions (different discharge voltages and gas pressures) have been presented and compared with the experimental results. Two different models have been used for simulation: five-phase model of Lee and lumped parameter model of Gonzalez. It is seen that the results (optimum pressures and current signals) of the Lee model at different working conditions show better agreement than lumped parameter model with experimental values.

Nonsequential modeling of laser diode stacks using Zemax: simulation, optimization, and experimental validation.

PubMed

Coluccelli, Nicola

2010-08-01

Modeling a real laser diode stack based on Zemax ray tracing software that operates in a nonsequential mode is reported. The implementation of the model is presented together with the geometric and optical parameters to be adjusted to calibrate the model and to match the simulated intensity irradiance profiles with the experimental profiles. The calibration of the model is based on a near-field and a far-field measurement. The validation of the model has been accomplished by comparing the simulated and experimental transverse irradiance profiles at different positions along the caustic formed by a lens. Spot sizes and waist location are predicted with a maximum error below 6%.

Experimental Study and CFD Simulation of a 2D Circulating Fluidized Bed

NASA Astrophysics Data System (ADS)

Kallio, S.; Guldén, M.; Hermanson, A.

Computational fluid dynamics (CFD) gains popularity in fluidized bed modeling. For model validation, there is a need of detailed measurements under well-defined conditions. In the present study, experiments were carried out in a 40 em wide and 3 m high 2D circulating fluidized bed. Two experiments were simulated by means of the Eulerian multiphase models of the Fluent CFD software. The vertical pressure and solids volume fraction profiles and the solids circulation rate obtained from the simulation were compared to the experimental results. In addition, lateral volume fraction profiles could be compared. The simulated CFB flow patterns and the profiles obtained from simulations were in general in a good agreement with the experimental results.

Comparative simulation of a fluidised bed reformer using industrial process simulators

NASA Astrophysics Data System (ADS)

Bashiri, Hamed; Sotudeh-Gharebagh, Rahmat; Sarvar-Amini, Amin; Haghtalab, Ali; Mostoufi, Navid

2016-08-01

A simulation model is developed by commercial simulators in order to predict the performance of a fluidised bed reformer. As many physical and chemical phenomena take place in the reformer, two sub-models (hydrodynamic and reaction sub-models) are needed. The hydrodynamic sub-model is based on the dynamic two-phase model and the reaction sub-model is derived from the literature. In the overall model, the bed is divided into several sections. In each section, the flow of the gas is considered as plug flow through the bubble phase and perfectly mixed through the emulsion phase. Experimental data from the literature were used to validate the model. Close agreement was found between the model of both ASPEN Plus (ASPEN PLUS 2004 ©) and HYSYS (ASPEN HYSYS 2004 ©) and the experimental data using various sectioning of the reactor ranged from one to four. The experimental conversion lies between one and four sections as expected. The model proposed in this work can be used as a framework in developing the complicated models for non-ideal reactors inside of the process simulators.

Validation of mathematical model for CZ process using small-scale laboratory crystal growth furnace

NASA Astrophysics Data System (ADS)

Bergfelds, Kristaps; Sabanskis, Andrejs; Virbulis, Janis

2018-05-01

The present material is focused on the modelling of small-scale laboratory NaCl-RbCl crystal growth furnace. First steps towards fully transient simulations are taken in the form of stationary simulations that deal with the optimization of material properties to match the model to experimental conditions. For this purpose, simulation software primarily used for the modelling of industrial-scale silicon crystal growth process was successfully applied. Finally, transient simulations of the crystal growth are presented, giving a sufficient agreement to experimental results.

Space-flight simulations of calcium metabolism using a mathematical model of calcium regulation

NASA Technical Reports Server (NTRS)

Brand, S. N.

1985-01-01

The results of a series of simulation studies of calcium matabolic changes which have been recorded during human exposure to bed rest and space flight are presented. Space flight and bed rest data demonstrate losses of total body calcium during exposure to hypogravic environments. These losses are evidenced by higher than normal rates of urine calcium excretion and by negative calcium balances. In addition, intestinal absorption rates and bone mineral content are assumed to decrease. The bed rest and space flight simulations were executed on a mathematical model of the calcium metabolic system. The purpose of the simulations is to theoretically test hypotheses and predict system responses which are occurring during given experimental stresses. In this case, hypogravity occurs through the comparison of simulation and experimental data and through the analysis of model structure and system responses. The model reliably simulates the responses of selected bed rest and space flight parameters. When experimental data are available, the simulated skeletal responses and regulatory factors involved in the responses agree with space flight data collected on rodents. In addition, areas within the model that need improvement are identified.

The NASA Ames Hypersonic Combustor-Model Inlet CFD Simulations and Experimental Comparisons

NASA Technical Reports Server (NTRS)

Venkatapathy, E.; Tokarcik-Polsky, S.; Deiwert, G. S.; Edwards, Thomas A. (Technical Monitor)

1995-01-01

Computations have been performed on a three-dimensional inlet associated with the NASA Ames combustor model for the hypersonic propulsion experiment in the 16-inch shock tunnel. The 3-dimensional inlet was designed to have the combustor inlet flow nearly two-dimensional and of sufficient mass flow necessary for combustion. The 16-inch shock tunnel experiment is a short duration test with test time of the order of milliseconds. The flow through the inlet is in chemical non-equilibrium. Two test entries have been completed and limited experimental results for the inlet region of the combustor-model are available. A number of CFD simulations, with various levels of simplifications such as 2-D simulations, 3-D simulations with and without chemical reactions, simulations with and without turbulent conditions, etc., have been performed. These simulations have helped determine the model inlet flow characteristics and the important factors that affect the combustor inlet flow and the sensitivity of the flow field to these simplifications. In the proposed paper, CFD modeling of the hypersonic inlet, results from the simulations and comparison with available experimental results will be presented.

Comparison of CFD simulations with experimental data for a tanker model advancing in waves

NASA Astrophysics Data System (ADS)

Orihara, Hideo

2011-03-01

In this paper, CFD simulation results for a tanker model are compared with experimental data over a range of wave conditions to verify a capability to predict the sea-keeping performance of practical hull forms. CFD simulations are conducted using WISDAM-X code which is capable of unsteady RANS calculations in arbitrary wave conditions. Comparisons are made of unsteady surface pressures, added resistance and ship motions in regular waves for cases of fully-loaded and ballast conditions of a large tanker model. It is shown that the simulation results agree fairly well with the experimental data, and that WISDAM-X code can predict sea-keeping performance of practical hull forms.

Femtosecond laser melting of silver nanoparticles: comparison of model simulations and experimental results

NASA Astrophysics Data System (ADS)

Cheng, Chung-Wei; Chang, Chin-Lun; Chen, Jinn-Kuen; Wang, Ben

2018-05-01

Ultrafast laser-induced melting of silver nanoparticles (NPs) using a femtosecond laser pulse is investigated both theoretically and experimentally. The sintered Ag structure fabricated from printed Ag NP ink using femtosecond laser (1064 nm, 300 fs) irradiation is experimentally studied. A two-temperature model with dynamic optical properties and particle size effects on the melting temperature of Ag NPs is considered. The rapid phase change model is incorporated to simulate the Ag NPs' ultrafast laser-induced melting process, and a multi-shot melting threshold fluence predicted from the simulated single-shot melting threshold is developed.

Validation of pore network simulations of ex-situ water distributions in a gas diffusion layer of proton exchange membrane fuel cells with X-ray tomographic images

NASA Astrophysics Data System (ADS)

Agaesse, Tristan; Lamibrac, Adrien; Büchi, Felix N.; Pauchet, Joel; Prat, Marc

2016-11-01

Understanding and modeling two-phase flows in the gas diffusion layer (GDL) of proton exchange membrane fuel cells are important in order to improve fuel cells performance. They are scientifically challenging because of the peculiarities of GDLs microstructures. In the present work, simulations on a pore network model are compared to X-ray tomographic images of water distributions during an ex-situ water invasion experiment. A method based on watershed segmentation was developed to extract a pore network from the 3D segmented image of the dry GDL. Pore network modeling and a full morphology model were then used to perform two-phase simulations and compared to the experimental data. The results show good agreement between experimental and simulated microscopic water distributions. Pore network extraction parameters were also benchmarked using the experimental data and results from full morphology simulations.

Probing the free energy landscape of the FBP28WW domain using multiple techniques.

PubMed

Periole, Xavier; Allen, Lucy R; Tamiola, Kamil; Mark, Alan E; Paci, Emanuele

2009-05-01

The free-energy landscape of a small protein, the FBP 28 WW domain, has been explored using molecular dynamics (MD) simulations with alternative descriptions of the molecule. The molecular models used range from coarse-grained to all-atom with either an implicit or explicit treatment of the solvent. Sampling of conformation space was performed using both conventional and temperature-replica exchange MD simulations. Experimental chemical shifts and NOEs were used to validate the simulations, and experimental phi values both for validation and as restraints. This combination of different approaches has provided insight into the free energy landscape and barriers encountered by the protein during folding and enabled the characterization of native, denatured and transition states which are compatible with the available experimental data. All the molecular models used stabilize well defined native and denatured basins; however, the degree of agreement with the available experimental data varies. While the most detailed, explicit solvent model predicts the data reasonably accurately, it does not fold despite a simulation time 10 times that of the experimental folding time. The less detailed models performed poorly relative to the explicit solvent model: an implicit solvent model stabilizes a ground state which differs from the experimental native state, and a structure-based model underestimates the size of the barrier between the two states. The use of experimental phi values both as restraints, and to extract structures from unfolding simulations, result in conformations which, although not necessarily true transition states, appear to share the geometrical characteristics of transition state structures. In addition to characterizing the native, transition and denatured states of this particular system in this work, the advantages and limitations of using varying levels of representation are discussed. 2008 Wiley Periodicals, Inc.

Stochastic molecular model of enzymatic hydrolysis of cellulose for ethanol production

PubMed Central

2013-01-01

Background During cellulosic ethanol production, cellulose hydrolysis is achieved by synergistic action of cellulase enzyme complex consisting of multiple enzymes with different mode of actions. Enzymatic hydrolysis of cellulose is one of the bottlenecks in the commercialization of the process due to low hydrolysis rates and high cost of enzymes. A robust hydrolysis model that can predict hydrolysis profile under various scenarios can act as an important forecasting tool to improve the hydrolysis process. However, multiple factors affecting hydrolysis: cellulose structure and complex enzyme-substrate interactions during hydrolysis make it diffucult to develop mathematical kinetic models that can simulate hydrolysis in presence of multiple enzymes with high fidelity. In this study, a comprehensive hydrolysis model based on stochastic molecular modeling approch in which each hydrolysis event is translated into a discrete event is presented. The model captures the structural features of cellulose, enzyme properties (mode of actions, synergism, inhibition), and most importantly dynamic morphological changes in the substrate that directly affect the enzyme-substrate interactions during hydrolysis. Results Cellulose was modeled as a group of microfibrils consisting of elementary fibrils bundles, where each elementary fibril was represented as a three dimensional matrix of glucose molecules. Hydrolysis of cellulose was simulated based on Monte Carlo simulation technique. Cellulose hydrolysis results predicted by model simulations agree well with the experimental data from literature. Coefficients of determination for model predictions and experimental values were in the range of 0.75 to 0.96 for Avicel hydrolysis by CBH I action. Model was able to simulate the synergistic action of multiple enzymes during hydrolysis. The model simulations captured the important experimental observations: effect of structural properties, enzyme inhibition and enzyme loadings on the hydrolysis and degree of synergism among enzymes. Conclusions The model was effective in capturing the dynamic behavior of cellulose hydrolysis during action of individual as well as multiple cellulases. Simulations were in qualitative and quantitative agreement with experimental data. Several experimentally observed phenomena were simulated without the need for any additional assumptions or parameter changes and confirmed the validity of using the stochastic molecular modeling approach to quantitatively and qualitatively describe the cellulose hydrolysis. PMID:23638989

Experimental validation of ultrasonic NDE simulation software

NASA Astrophysics Data System (ADS)

Dib, Gerges; Larche, Michael; Diaz, Aaron A.; Crawford, Susan L.; Prowant, Matthew S.; Anderson, Michael T.

2016-02-01

Computer modeling and simulation is becoming an essential tool for transducer design and insight into ultrasonic nondestructive evaluation (UT-NDE). As the popularity of simulation tools for UT-NDE increases, it becomes important to assess their reliability to model acoustic responses from defects in operating components and provide information that is consistent with in-field inspection data. This includes information about the detectability of different defect types for a given UT probe. Recently, a cooperative program between the Electrical Power Research Institute and the U.S. Nuclear Regulatory Commission was established to validate numerical modeling software commonly used for simulating UT-NDE of nuclear power plant components. In the first phase of this cooperative, extensive experimental UT measurements were conducted on machined notches with varying depth, length, and orientation in stainless steel plates. Then, the notches were modeled in CIVA, a semi-analytical NDE simulation platform developed by the French Commissariat a l'Energie Atomique, and their responses compared with the experimental measurements. Discrepancies between experimental and simulation results are due to either improper inputs to the simulation model, or to incorrect approximations and assumptions in the numerical models. To address the former, a variation study was conducted on the different parameters that are required as inputs for the model, specifically the specimen and transducer properties. Then, the ability of simulations to give accurate predictions regarding the detectability of the different defects was demonstrated. This includes the results in terms of the variations in defect amplitude indications, and the ratios between tip diffracted and specular signal amplitudes.

A new model for two-dimensional numerical simulation of pseudo-2D gas-solids fluidized beds

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

Li, Tingwen; Zhang, Yongmin

2013-10-11

Pseudo-two dimensional (pseudo-2D) fluidized beds, for which the thickness of the system is much smaller than the other two dimensions, is widely used to perform fundamental studies on bubble behavior, solids mixing, or clustering phenomenon in different gas-solids fluidization systems. The abundant data from such experimental systems are very useful for numerical model development and validation. However, it has been reported that two-dimensional (2D) computational fluid dynamic (CFD) simulations of pseudo-2D gas-solids fluidized beds usually predict poor quantitative agreement with the experimental data, especially for the solids velocity field. In this paper, a new model is proposed to improve themore » 2D numerical simulations of pseudo-2D gas-solids fluidized beds by properly accounting for the frictional effect of the front and back walls. Two previously reported pseudo-2D experimental systems were simulated with this model. Compared to the traditional 2D simulations, significant improvements in the numerical predictions have been observed and the predicted results are in better agreement with the available experimental data.« less

Experimental verification of dynamic simulation

NASA Technical Reports Server (NTRS)

Yae, K. Harold; Hwang, Howyoung; Chern, Su-Tai

1989-01-01

The dynamics model here is a backhoe, which is a four degree of freedom manipulator from the dynamics standpoint. Two types of experiment are chosen that can also be simulated by a multibody dynamics simulation program. In the experiment, recorded were the configuration and force histories; that is, velocity and position, and force output and differential pressure change from the hydraulic cylinder, in the time domain. When the experimental force history is used as driving force in the simulation model, the forward dynamics simulation produces a corresponding configuration history. Then, the experimental configuration history is used in the inverse dynamics analysis to generate a corresponding force history. Therefore, two sets of configuration and force histories--one set from experiment, and the other from the simulation that is driven forward and backward with the experimental data--are compared in the time domain. More comparisons are made in regard to the effects of initial conditions, friction, and viscous damping.

Integrated modeling of temperature and rotation profiles in JET ITER-like wall discharges

NASA Astrophysics Data System (ADS)

Rafiq, T.; Kritz, A. H.; Kim, Hyun-Tae; Schuster, E.; Weiland, J.

2017-10-01

Simulations of 78 JET ITER-like wall D-D discharges and 2 D-T reference discharges are carried out using the TRANSP predictive integrated modeling code. The time evolved temperature and rotation profiles are computed utilizing the Multi-Mode anomalous transport model. The discharges involve a broad range of conditions including scans over gyroradius, collisionality, and values of q95. The D-T reference discharges are selected in anticipation of the D-T experimental campaign planned at JET in 2019. The simulated temperature and rotation profiles are compared with the corresponding experimental profiles in the radial range from the magnetic axis to the ρ = 0.9 flux surface. The comparison is quantified by calculating the RMS deviations and Offsets. Overall, good agreement is found between the profiles produced in the simulations and the experimental data. It is planned that the simulations obtained using the Multi-Mode model will be compared with the simulations using the TGLF model. Research supported in part by the US, DoE, Office of Sciences.

The DeepMIP Contribution to PMIP4: Experimental Design for Model Simulations of the EECO, PETM, and pre-PETM (version 1.0)

NASA Technical Reports Server (NTRS)

Lunt, Daniel J.; Huber, Matthew; Anagnostou, Eleni; Baatsen, Michiel L. J.; Caballero, Rodrigo; DeConto, Rob; Dijkstra, Henk A.; Donnadieu, Yannick; Evans, David; Feng, Ran;

A Method for Combining Experimentation and Molecular Dynamics Simulation to Improve Cohesive Zone Models for Metallic Microstructures

NASA Technical Reports Server (NTRS)

Hochhalter, J. D.; Glaessgen, E. H.; Ingraffea, A. R.; Aquino, W. A.

2009-01-01

Fracture processes within a material begin at the nanometer length scale at which the formation, propagation, and interaction of fundamental damage mechanisms occur. Physics-based modeling of these atomic processes quickly becomes computationally intractable as the system size increases. Thus, a multiscale modeling method, based on the aggregation of fundamental damage processes occurring at the nanoscale within a cohesive zone model, is under development and will enable computationally feasible and physically meaningful microscale fracture simulation in polycrystalline metals. This method employs atomistic simulation to provide an optimization loop with an initial prediction of a cohesive zone model (CZM). This initial CZM is then applied at the crack front region within a finite element model. The optimization procedure iterates upon the CZM until the finite element model acceptably reproduces the near-crack-front displacement fields obtained from experimental observation. With this approach, a comparison can be made between the original CZM predicted by atomistic simulation and the converged CZM that is based on experimental observation. Comparison of the two CZMs gives insight into how atomistic simulation scales.

Computational Modelling of Patella Femoral Kinematics During Gait Cycle and Experimental Validation

NASA Astrophysics Data System (ADS)

Maiti, Raman

2016-06-01

The effect of loading and boundary conditions on patellar mechanics is significant due to the complications arising in patella femoral joints during total knee replacements. To understand the patellar mechanics with respect to loading and motion, a computational model representing the patella femoral joint was developed and validated against experimental results. The computational model was created in IDEAS NX and simulated in MSC ADAMS/VIEW software. The results obtained in the form of internal external rotations and anterior posterior displacements for a new and experimentally simulated specimen for patella femoral joint under standard gait condition were compared with experimental measurements performed on the Leeds ProSim knee simulator. A good overall agreement between the computational prediction and the experimental data was obtained for patella femoral kinematics. Good agreement between the model and the past studies was observed when the ligament load was removed and the medial lateral displacement was constrained. The model is sensitive to ±5 % change in kinematics, frictional, force and stiffness coefficients and insensitive to time step.

Computational Modelling of Patella Femoral Kinematics During Gait Cycle and Experimental Validation

NASA Astrophysics Data System (ADS)

Maiti, Raman

2018-06-01

The effect of loading and boundary conditions on patellar mechanics is significant due to the complications arising in patella femoral joints during total knee replacements. To understand the patellar mechanics with respect to loading and motion, a computational model representing the patella femoral joint was developed and validated against experimental results. The computational model was created in IDEAS NX and simulated in MSC ADAMS/VIEW software. The results obtained in the form of internal external rotations and anterior posterior displacements for a new and experimentally simulated specimen for patella femoral joint under standard gait condition were compared with experimental measurements performed on the Leeds ProSim knee simulator. A good overall agreement between the computational prediction and the experimental data was obtained for patella femoral kinematics. Good agreement between the model and the past studies was observed when the ligament load was removed and the medial lateral displacement was constrained. The model is sensitive to ±5 % change in kinematics, frictional, force and stiffness coefficients and insensitive to time step.

Simulation of transonic flows through a turbine blade cascade with various prescription of outlet boundary conditions

NASA Astrophysics Data System (ADS)

Louda, Petr; Straka, Petr; Příhoda, Jaromír

2018-06-01

The contribution deals with the numerical simulation of transonic flows through a linear turbine blade cascade. Numerical simulations were carried partly for the standard computational domain with various outlet boundary conditions by the algebraic transition model of Straka and Příhoda [1] connected with the EARSM turbulence model of Hellsten [2] and partly for the computational domain corresponding to the geometrical arrangement in the wind tunnel by the γ-ζ transition model of Dick et al. [3] with the SST turbulence model. Numerical results were compared with experimental data. The agreement of numerical results with experimental results is acceptable through a complicated experimental configuration.

Modeling and Simulation of Quenching and Tempering Process in steels

NASA Astrophysics Data System (ADS)

Deng, Xiaohu; Ju, Dongying

Quenching and tempering (Q&T) is a combined heat treatment process to achieve maximum toughness and ductility at a specified hardness and strength. It is important to develop a mathematical model for quenching and tempering process for satisfy requirement of mechanical properties with low cost. This paper presents a modified model to predict structural evolution and hardness distribution during quenching and tempering process of steels. The model takes into account tempering parameters, carbon content, isothermal and non-isothermal transformations. Moreover, precipitation of transition carbides, decomposition of retained austenite and precipitation of cementite can be simulated respectively. Hardness distributions of quenched and tempered workpiece are predicted by experimental regression equation. In order to validate the model, it is employed to predict the tempering of 80MnCr5 steel. The predicted precipitation dynamics of transition carbides and cementite is consistent with the previous experimental and simulated results from literature. Then the model is implemented within the framework of the developed simulation code COSMAP to simulate microstructure, stress and distortion in the heat treated component. It is applied to simulate Q&T process of J55 steel. The calculated results show a good agreement with the experimental ones. This agreement indicates that the model is effective for simulation of Q&T process of steels.

A Model-Based Systems Engineering Methodology for Employing Architecture In System Analysis: Developing Simulation Models Using Systems Modeling Language Products to Link Architecture and Analysis

DTIC Science & Technology

2016-06-01

characteristics, experimental design techniques, and analysis methodologies that distinguish each phase of the MBSE MEASA. To ensure consistency... methodology . Experimental design selection, simulation analysis, and trade space analysis support the final two stages. Figure 27 segments the MBSE MEASA...rounding has the potential to increase the correlation between columns of the experimental design matrix. The design methodology presented in Vieira

C4MIP - The Coupled Climate-Carbon Cycle Model Intercomparison Project: experimental protocol for CMIP6

NASA Astrophysics Data System (ADS)

Jones, Chris D.; Arora, Vivek; Friedlingstein, Pierre; Bopp, Laurent; Brovkin, Victor; Dunne, John; Graven, Heather; Hoffman, Forrest; Ilyina, Tatiana; John, Jasmin G.; Jung, Martin; Kawamiya, Michio; Koven, Charlie; Pongratz, Julia; Raddatz, Thomas; Randerson, James T.; Zaehle, Sönke

2016-08-01

Coordinated experimental design and implementation has become a cornerstone of global climate modelling. Model Intercomparison Projects (MIPs) enable systematic and robust analysis of results across many models, by reducing the influence of ad hoc differences in model set-up or experimental boundary conditions. As it enters its 6th phase, the Coupled Model Intercomparison Project (CMIP6) has grown significantly in scope with the design and documentation of individual simulations delegated to individual climate science communities. The Coupled Climate-Carbon Cycle Model Intercomparison Project (C4MIP) takes responsibility for design, documentation, and analysis of carbon cycle feedbacks and interactions in climate simulations. These feedbacks are potentially large and play a leading-order contribution in determining the atmospheric composition in response to human emissions of CO2 and in the setting of emissions targets to stabilize climate or avoid dangerous climate change. For over a decade, C4MIP has coordinated coupled climate-carbon cycle simulations, and in this paper we describe the C4MIP simulations that will be formally part of CMIP6. While the climate-carbon cycle community has created this experimental design, the simulations also fit within the wider CMIP activity, conform to some common standards including documentation and diagnostic requests, and are designed to complement the CMIP core experiments known as the Diagnostic, Evaluation and Characterization of Klima (DECK). C4MIP has three key strands of scientific motivation and the requested simulations are designed to satisfy their needs: (1) pre-industrial and historical simulations (formally part of the common set of CMIP6 experiments) to enable model evaluation, (2) idealized coupled and partially coupled simulations with 1 % per year increases in CO2 to enable diagnosis of feedback strength and its components, (3) future scenario simulations to project how the Earth system will respond to anthropogenic activity over the 21st century and beyond. This paper documents in detail these simulations, explains their rationale and planned analysis, and describes how to set up and run the simulations. Particular attention is paid to boundary conditions, input data, and requested output diagnostics. It is important that modelling groups participating in C4MIP adhere as closely as possible to this experimental design.

C4MIP – The Coupled Climate–Carbon Cycle Model Intercomparison Project: Experimental protocol for CMIP6

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

Jones, Chris D.; Arora, Vivek; Friedlingstein, Pierre

Coordinated experimental design and implementation has become a cornerstone of global climate modelling. Model Intercomparison Projects (MIPs) enable systematic and robust analysis of results across many models, by reducing the influence of ad hoc differences in model set-up or experimental boundary conditions. As it enters its 6th phase, the Coupled Model Intercomparison Project (CMIP6) has grown significantly in scope with the design and documentation of individual simulations delegated to individual climate science communities. The Coupled Climate–Carbon Cycle Model Intercomparison Project (C4MIP) takes responsibility for design, documentation, and analysis of carbon cycle feedbacks and interactions in climate simulations. These feedbacks aremore » potentially large and play a leading-order contribution in determining the atmospheric composition in response to human emissions of CO 2 and in the setting of emissions targets to stabilize climate or avoid dangerous climate change. For over a decade, C4MIP has coordinated coupled climate–carbon cycle simulations, and in this paper we describe the C4MIP simulations that will be formally part of CMIP6. While the climate–carbon cycle community has created this experimental design, the simulations also fit within the wider CMIP activity, conform to some common standards including documentation and diagnostic requests, and are designed to complement the CMIP core experiments known as the Diagnostic, Evaluation and Characterization of Klima (DECK). C4MIP has three key strands of scientific motivation and the requested simulations are designed to satisfy their needs: (1) pre-industrial and historical simulations (formally part of the common set of CMIP6 experiments) to enable model evaluation, (2) idealized coupled and partially coupled simulations with 1 % per year increases in CO 2 to enable diagnosis of feedback strength and its components, (3) future scenario simulations to project how the Earth system will respond to anthropogenic activity over the 21st century and beyond. This study documents in detail these simulations, explains their rationale and planned analysis, and describes how to set up and run the simulations. Particular attention is paid to boundary conditions, input data, and requested output diagnostics. It is important that modelling groups participating in C4MIP adhere as closely as possible to this experimental design.« less

C4MIP – The Coupled Climate–Carbon Cycle Model Intercomparison Project: Experimental protocol for CMIP6

DOE PAGES

Jones, Chris D.; Arora, Vivek; Friedlingstein, Pierre; ...

2016-08-25

Coordinated experimental design and implementation has become a cornerstone of global climate modelling. Model Intercomparison Projects (MIPs) enable systematic and robust analysis of results across many models, by reducing the influence of ad hoc differences in model set-up or experimental boundary conditions. As it enters its 6th phase, the Coupled Model Intercomparison Project (CMIP6) has grown significantly in scope with the design and documentation of individual simulations delegated to individual climate science communities. The Coupled Climate–Carbon Cycle Model Intercomparison Project (C4MIP) takes responsibility for design, documentation, and analysis of carbon cycle feedbacks and interactions in climate simulations. These feedbacks aremore » potentially large and play a leading-order contribution in determining the atmospheric composition in response to human emissions of CO 2 and in the setting of emissions targets to stabilize climate or avoid dangerous climate change. For over a decade, C4MIP has coordinated coupled climate–carbon cycle simulations, and in this paper we describe the C4MIP simulations that will be formally part of CMIP6. While the climate–carbon cycle community has created this experimental design, the simulations also fit within the wider CMIP activity, conform to some common standards including documentation and diagnostic requests, and are designed to complement the CMIP core experiments known as the Diagnostic, Evaluation and Characterization of Klima (DECK). C4MIP has three key strands of scientific motivation and the requested simulations are designed to satisfy their needs: (1) pre-industrial and historical simulations (formally part of the common set of CMIP6 experiments) to enable model evaluation, (2) idealized coupled and partially coupled simulations with 1 % per year increases in CO 2 to enable diagnosis of feedback strength and its components, (3) future scenario simulations to project how the Earth system will respond to anthropogenic activity over the 21st century and beyond. This study documents in detail these simulations, explains their rationale and planned analysis, and describes how to set up and run the simulations. Particular attention is paid to boundary conditions, input data, and requested output diagnostics. It is important that modelling groups participating in C4MIP adhere as closely as possible to this experimental design.« less

Wildland fire probabilities estimated from weather model-deduced monthly mean fire danger indices

Treesearch

Haiganoush K. Preisler; Shyh-Chin Chen; Francis Fujioka; John W. Benoit; Anthony L. Westerling

2008-01-01

The National Fire Danger Rating System indices deduced from a regional simulation weather model were used to estimate probabilities and numbers of large fire events on monthly and 1-degree grid scales. The weather model simulations and forecasts are ongoing experimental products from the Experimental Climate Prediction Center at the Scripps Institution of Oceanography...

Simulation and experimental research of 1MWe solar tower power plant in China

NASA Astrophysics Data System (ADS)

Yu, Qiang; Wang, Zhifeng; Xu, Ershu

2016-05-01

The establishment of a reliable simulation system for a solar tower power plant can greatly increase the economic and safety performance of the whole system. In this paper, a dynamic model of the 1MWe Solar Tower Power Plant at Badaling in Beijing is developed based on the "STAR-90" simulation platform, including the heliostat field, the central receiver system (water/steam), etc. The dynamic behavior of the global CSP plant can be simulated. In order to verify the validity of simulation system, a complete experimental process was synchronously simulated by repeating the same operating steps based on the simulation platform, including the locations and number of heliostats, the mass flow of the feed water, etc. According to the simulation and experimental results, some important parameters are taken out to make a deep comparison. The results show that there is good alignment between the simulations and the experimental results and that the error range can be acceptable considering the error of the models. In the end, a comprehensive and deep analysis on the error source is carried out according to the comparative results.

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.

An Empirical Model-based MOE for Friction Reduction by Slot-Ejected Polymer Solutions in an Aqueous Environment

DTIC Science & Technology

2007-12-21

of hydrodynamics and the physical characteristics of the polymers. The physics models include both analytical models and numerical simulations ...the experimental observations. The numerical simulations also succeed in replicating some experimental measurements. However, there is still no...become quite significant. 4.5 Documentation The complete model is coded in MatLab . In the model, all units are cgs, so distances are in

Determining residual reduction algorithm kinematic tracking weights for a sidestep cut via numerical optimization.

PubMed

Samaan, Michael A; Weinhandl, Joshua T; Bawab, Sebastian Y; Ringleb, Stacie I

2016-12-01

Musculoskeletal modeling allows for the determination of various parameters during dynamic maneuvers by using in vivo kinematic and ground reaction force (GRF) data as inputs. Differences between experimental and model marker data and inconsistencies in the GRFs applied to these musculoskeletal models may not produce accurate simulations. Therefore, residual forces and moments are applied to these models in order to reduce these differences. Numerical optimization techniques can be used to determine optimal tracking weights of each degree of freedom of a musculoskeletal model in order to reduce differences between the experimental and model marker data as well as residual forces and moments. In this study, the particle swarm optimization (PSO) and simplex simulated annealing (SIMPSA) algorithms were used to determine optimal tracking weights for the simulation of a sidestep cut. The PSO and SIMPSA algorithms were able to produce model kinematics that were within 1.4° of experimental kinematics with residual forces and moments of less than 10 N and 18 Nm, respectively. The PSO algorithm was able to replicate the experimental kinematic data more closely and produce more dynamically consistent kinematic data for a sidestep cut compared to the SIMPSA algorithm. Future studies should use external optimization routines to determine dynamically consistent kinematic data and report the differences between experimental and model data for these musculoskeletal simulations.

A model for generating Surface EMG signal of m. Tibialis Anterior.

PubMed

Siddiqi, Ariba; Kumar, Dinesh; Arjunan, Sridhar P

2014-01-01

A model that simulates surface electromyogram (sEMG) signal of m. Tibialis Anterior has been developed and tested. This has a firing rate equation that is based on experimental findings. It also has a recruitment threshold that is based on observed statistical distribution. Importantly, it has considered both, slow and fast type which has been distinguished based on their conduction velocity. This model has assumed that the deeper unipennate half of the muscle does not contribute significantly to the potential induced on the surface of the muscle and has approximated the muscle to have parallel structure. The model was validated by comparing the simulated and the experimental sEMG signal recordings. Experiments were conducted on eight subjects who performed isometric dorsiflexion at 10, 20, 30, 50, 75, and 100% maximal voluntary contraction. Normalized root mean square and median frequency of the experimental and simulated EMG signal were computed and the slopes of the linearity with the force were statistically analyzed. The gradients were found to be similar (p>0.05) for both experimental and simulated sEMG signal, validating the proposed model.

Experimentally validated finite element model of electrocaloric multilayer ceramic structures

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

Smith, N. A. S., E-mail: nadia.smith@npl.co.uk, E-mail: maciej.rokosz@npl.co.uk, E-mail: tatiana.correia@npl.co.uk; Correia, T. M., E-mail: nadia.smith@npl.co.uk, E-mail: maciej.rokosz@npl.co.uk, E-mail: tatiana.correia@npl.co.uk; Rokosz, M. K., E-mail: nadia.smith@npl.co.uk, E-mail: maciej.rokosz@npl.co.uk, E-mail: tatiana.correia@npl.co.uk

2014-07-28

A novel finite element model to simulate the electrocaloric response of a multilayer ceramic capacitor (MLCC) under real environment and operational conditions has been developed. The two-dimensional transient conductive heat transfer model presented includes the electrocaloric effect as a source term, as well as accounting for radiative and convective effects. The model has been validated with experimental data obtained from the direct imaging of MLCC transient temperature variation under application of an electric field. The good agreement between simulated and experimental data, suggests that the novel experimental direct measurement methodology and the finite element model could be used to supportmore » the design of optimised electrocaloric units and operating conditions.« less

TH-CD-207A-08: Simulated Real-Time Image Guidance for Lung SBRT Patients Using Scatter Imaging

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

Redler, G; Cifter, G; Templeton, A

2016-06-15

Purpose: To develop a comprehensive Monte Carlo-based model for the acquisition of scatter images of patient anatomy in real-time, during lung SBRT treatment. Methods: During SBRT treatment, images of patient anatomy can be acquired from scattered radiation. To rigorously examine the utility of scatter images for image guidance, a model is developed using MCNP code to simulate scatter images of phantoms and lung cancer patients. The model is validated by comparing experimental and simulated images of phantoms of different complexity. The differentiation between tissue types is investigated by imaging objects of known compositions (water, lung, and bone equivalent). A lungmore » tumor phantom, simulating materials and geometry encountered during lung SBRT treatments, is used to investigate image noise properties for various quantities of delivered radiation (monitor units(MU)). Patient scatter images are simulated using the validated simulation model. 4DCT patient data is converted to an MCNP input geometry accounting for different tissue composition and densities. Lung tumor phantom images acquired with decreasing imaging time (decreasing MU) are used to model the expected noise amplitude in patient scatter images, producing realistic simulated patient scatter images with varying temporal resolution. Results: Image intensity in simulated and experimental scatter images of tissue equivalent objects (water, lung, bone) match within the uncertainty (∼3%). Lung tumor phantom images agree as well. Specifically, tumor-to-lung contrast matches within the uncertainty. The addition of random noise approximating quantum noise in experimental images to simulated patient images shows that scatter images of lung tumors can provide images in as fast as 0.5 seconds with CNR∼2.7. Conclusions: A scatter imaging simulation model is developed and validated using experimental phantom scatter images. Following validation, lung cancer patient scatter images are simulated. These simulated patient images demonstrate the clinical utility of scatter imaging for real-time tumor tracking during lung SBRT.« less

Protocols for efficient simulations of long-time protein dynamics using coarse-grained CABS model.

PubMed

Jamroz, Michal; Kolinski, Andrzej; Kmiecik, Sebastian

2014-01-01

Coarse-grained (CG) modeling is a well-acknowledged simulation approach for getting insight into long-time scale protein folding events at reasonable computational cost. Depending on the design of a CG model, the simulation protocols vary from highly case-specific-requiring user-defined assumptions about the folding scenario-to more sophisticated blind prediction methods for which only a protein sequence is required. Here we describe the framework protocol for the simulations of long-term dynamics of globular proteins, with the use of the CABS CG protein model and sequence data. The simulations can start from a random or a selected (e.g., native) structure. The described protocol has been validated using experimental data for protein folding model systems-the prediction results agreed well with the experimental results.

Experimental evidence for a new single-event upset (SEU) mode in a CMOS SRAM obtained from model verification

NASA Technical Reports Server (NTRS)

Zoutendyk, J. A.; Smith, L. S.; Soli, G. A.; Lo, R. Y.

1987-01-01

Modeling of SEU has been done in a CMOS static RAM containing 1-micron-channel-length transistors fabricated from a p-well epilayer process using both circuit-simulation and numerical-simulation techniques. The modeling results have been experimentally verified with the aid of heavy-ion beams obtained from a three-stage tandem van de Graaff accelerator. Experimental evidence for a novel SEU mode in an ON n-channel device is presented.

Development and Validation of Computational Fluid Dynamics Models for Prediction of Heat Transfer and Thermal Microenvironments of Corals

PubMed Central

Ong, Robert H.; King, Andrew J. C.; Mullins, Benjamin J.; Cooper, Timothy F.; Caley, M. Julian

2012-01-01

We present Computational Fluid Dynamics (CFD) models of the coupled dynamics of water flow, heat transfer and irradiance in and around corals to predict temperatures experienced by corals. These models were validated against controlled laboratory experiments, under constant and transient irradiance, for hemispherical and branching corals. Our CFD models agree very well with experimental studies. A linear relationship between irradiance and coral surface warming was evident in both the simulation and experimental result agreeing with heat transfer theory. However, CFD models for the steady state simulation produced a better fit to the linear relationship than the experimental data, likely due to experimental error in the empirical measurements. The consistency of our modelling results with experimental observations demonstrates the applicability of CFD simulations, such as the models developed here, to coral bleaching studies. A study of the influence of coral skeletal porosity and skeletal bulk density on surface warming was also undertaken, demonstrating boundary layer behaviour, and interstitial flow magnitude and temperature profiles in coral cross sections. Our models compliment recent studies showing systematic changes in these parameters in some coral colonies and have utility in the prediction of coral bleaching. PMID:22701582

Comparison of GEANT4 very low energy cross section models with experimental data in water.

PubMed

Incerti, S; Ivanchenko, A; Karamitros, M; Mantero, A; Moretto, P; Tran, H N; Mascialino, B; Champion, C; Ivanchenko, V N; Bernal, M A; Francis, Z; Villagrasa, C; Baldacchin, G; Guèye, P; Capra, R; Nieminen, P; Zacharatou, C

2010-09-01

The GEANT4 general-purpose Monte Carlo simulation toolkit is able to simulate physical interaction processes of electrons, hydrogen and helium atoms with charge states (H0, H+) and (He0, He+, He2+), respectively, in liquid water, the main component of biological systems, down to the electron volt regime and the submicrometer scale, providing GEANT4 users with the so-called "GEANT4-DNA" physics models suitable for microdosimetry simulation applications. The corresponding software has been recently re-engineered in order to provide GEANT4 users with a coherent and unique approach to the simulation of electromagnetic interactions within the GEANT4 toolkit framework (since GEANT4 version 9.3 beta). This work presents a quantitative comparison of these physics models with a collection of experimental data in water collected from the literature. An evaluation of the closeness between the total and differential cross section models available in the GEANT4 toolkit for microdosimetry and experimental reference data is performed using a dedicated statistical toolkit that includes the Kolmogorov-Smirnov statistical test. The authors used experimental data acquired in water vapor as direct measurements in the liquid phase are not yet available in the literature. Comparisons with several recommendations are also presented. The authors have assessed the compatibility of experimental data with GEANT4 microdosimetry models by means of quantitative methods. The results show that microdosimetric measurements in liquid water are necessary to assess quantitatively the validity of the software implementation for the liquid water phase. Nevertheless, a comparison with existing experimental data in water vapor provides a qualitative appreciation of the plausibility of the simulation models. The existing reference data themselves should undergo a critical interpretation and selection, as some of the series exhibit significant deviations from each other. The GEANT4-DNA physics models available in the GEANT4 toolkit have been compared in this article to available experimental data in the water vapor phase as well as to several published recommendations on the mass stopping power. These models represent a first step in the extension of the GEANT4 Monte Carlo toolkit to the simulation of biological effects of ionizing radiation.

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.

Hybrid test on building structures using electrodynamic fatigue test machine

NASA Astrophysics Data System (ADS)

Xu, Zhao-Dong; Wang, Kai-Yang; Guo, Ying-Qing; Wu, Min-Dong; Xu, Meng

2017-01-01

Hybrid simulation is an advanced structural dynamic experimental method that combines experimental physical models with analytical numerical models. It has increasingly been recognised as a powerful methodology to evaluate structural nonlinear components and systems under realistic operating conditions. One of the barriers for this advanced testing is the lack of flexible software for hybrid simulation using heterogeneous experimental equipment. In this study, an electrodynamic fatigue test machine is made and a MATLAB program is developed for hybrid simulation. Compared with the servo-hydraulic system, electrodynamic fatigue test machine has the advantages of small volume, easy operation and fast response. A hybrid simulation is conducted to verify the flexibility and capability of the whole system whose experimental substructure is one spring brace and numerical substructure is a two-storey steel frame structure. Experimental and numerical results show the feasibility and applicability of the whole system.

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

NASA Astrophysics Data System (ADS)

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

2018-01-01

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

FEM simulation of the die compaction of pharmaceutical products: influence of visco-elastic phenomena and comparison with experiments.

PubMed

Diarra, Harona; Mazel, Vincent; Busignies, Virginie; Tchoreloff, Pierre

2013-09-10

This work studies the influence of visco-elastic behavior in the finite element method (FEM) modeling of die compaction of pharmaceutical products and how such a visco-elastic behavior may improve the agreement between experimental and simulated compression curves. The modeling of the process was conducted on a pharmaceutical excipient, microcrystalline cellulose (MCC), by using Drucker-Prager cap model coupled with creep behavior in Abaqus(®) software. The experimental data were obtained on a compaction simulator (STYLCAM 200R). The elastic deformation of the press was determined by performing experimental tests on a calibration disk and was introduced in the simulation. Numerical optimization was performed to characterize creep parameters. The use of creep behavior in the simulations clearly improved the agreement between the numerical and experimental compression curves (stresses, thickness), mainly during the unloading part of the compaction cycle. For the first time, it was possible to reproduce numerically the fact that the minimum tablet thickness is not obtained at the maximum compression stress. This study proves that creep behavior must be taken into account when modeling the compaction of pharmaceutical products using FEM methods. Copyright © 2013 Elsevier B.V. All rights reserved.

Numerical and experimental studies on effects of moisture content on combustion characteristics of simulated municipal solid wastes in a fixed bed

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

Sun, Rui, E-mail: Sunsr@hit.edu.cn; Ismail, Tamer M., E-mail: temoil@aucegypt.edu; Ren, Xiaohan

Highlights: • The effects of moisture content on the burning process of MSW are investigated. • A two-dimensional mathematical model was built to simulate the combustion process. • Temperature distributions, process rates, gas species were measured and simulated. • The The conversion ratio of C/CO and N/NO in MSW are inverse to moisture content. - Abstract: In order to reveal the features of the combustion process in the porous bed of a waste incinerator, a two-dimensional unsteady state model and experimental study were employed to investigate the combustion process in a fixed bed of municipal solid waste (MSW) on themore » combustion process in a fixed bed reactor. Conservation equations of the waste bed were implemented to describe the incineration process. The gas phase turbulence was modeled using the k–ε turbulent model and the particle phase was modeled using the kinetic theory of granular flow. The rate of moisture evaporation, devolatilization rate, and char burnout was calculated according to the waste property characters. The simulation results were then compared with experimental data for different moisture content of MSW, which shows that the incineration process of waste in the fixed bed is reasonably simulated. The simulation results of solid temperature, gas species and process rate in the bed are accordant with experimental data. Due to the high moisture content of fuel, moisture evaporation consumes a vast amount of heat, and the evaporation takes up most of the combustion time (about 2/3 of the whole combustion process). The whole bed combustion process reduces greatly as MSW moisture content increases. The experimental and simulation results provide direction for design and optimization of the fixed bed of MSW.« less

A High-Resolution Integrated Model of the National Ignition Campaign Cryogenic Layered Experiments

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

Jones, O. S.; Callahan, D. A.; Cerjan, C. J.

A detailed simulation-based model of the June 2011 National Ignition Campaign (NIC) cryogenic DT experiments is presented. The model is based on integrated hohlraum-capsule simulations that utilize the best available models for the hohlraum wall, ablator, and DT equations of state and opacities. The calculated radiation drive was adjusted by changing the input laser power to match the experimentally measured shock speeds, shock merger times, peak implosion velocity, and bangtime. The crossbeam energy transfer model was tuned to match the measured time-dependent symmetry. Mid-mode mix was included by directly modeling the ablator and ice surface perturbations up to mode 60.more » Simulated experimental values were extracted from the simulation and compared against the experiment. The model adjustments brought much of the simulated data into closer agreement with the experiment, with the notable exception of the measured yields, which were 15-40% of the calculated yields.« less

A High-Resolution Integrated Model of the National Ignition Campaign Cryogenic Layered Experiments

DOE PAGES

Jones, O. S.; Callahan, D. A.; Cerjan, C. J.; ...

2012-05-29

A detailed simulation-based model of the June 2011 National Ignition Campaign (NIC) cryogenic DT experiments is presented. The model is based on integrated hohlraum-capsule simulations that utilize the best available models for the hohlraum wall, ablator, and DT equations of state and opacities. The calculated radiation drive was adjusted by changing the input laser power to match the experimentally measured shock speeds, shock merger times, peak implosion velocity, and bangtime. The crossbeam energy transfer model was tuned to match the measured time-dependent symmetry. Mid-mode mix was included by directly modeling the ablator and ice surface perturbations up to mode 60.more » Simulated experimental values were extracted from the simulation and compared against the experiment. The model adjustments brought much of the simulated data into closer agreement with the experiment, with the notable exception of the measured yields, which were 15-40% of the calculated yields.« less

Towards an Integrated Model of the NIC Layered Implosions

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

Jones, O S; Callahan, D A; Cerjan, C J

A detailed simulation-based model of the June 2011 National Ignition Campaign (NIC) cryogenic DT experiments is presented. The model is based on integrated hohlraum-capsule simulations that utilize the best available models for the hohlraum wall, ablator, and DT equations of state and opacities. The calculated radiation drive was adjusted by changing the input laser power to match the experimentally measured shock speeds, shock merger times, peak implosion velocity, and bangtime. The crossbeam energy transfer model was tuned to match the measured time-dependent symmetry. Mid-mode mix was included by directly modeling the ablator and ice surface perturbations up to mode 60.more » Simulated experimental values were extracted from the simulation and compared against the experiment. The model adjustments brought much of the simulated data into closer agreement with the experiment, with the notable exception of the measured yields, which were 15-45% of the calculated yields.« less

A comprehensive computational model of sound transmission through the porcine lung

PubMed Central

Dai, Zoujun; Peng, Ying; Henry, Brian M.; Mansy, Hansen A.; Sandler, Richard H.; Royston, Thomas J.

2014-01-01

A comprehensive computational simulation model of sound transmission through the porcine lung is introduced and experimentally evaluated. This “subject-specific” model utilizes parenchymal and major airway geometry derived from x-ray CT images. The lung parenchyma is modeled as a poroviscoelastic material using Biot theory. A finite element (FE) mesh of the lung that includes airway detail is created and used in comsol FE software to simulate the vibroacoustic response of the lung to sound input at the trachea. The FE simulation model is validated by comparing simulation results to experimental measurements using scanning laser Doppler vibrometry on the surface of an excised, preserved lung. The FE model can also be used to calculate and visualize vibroacoustic pressure and motion inside the lung and its airways caused by the acoustic input. The effect of diffuse lung fibrosis and of a local tumor on the lung acoustic response is simulated and visualized using the FE model. In the future, this type of visualization can be compared and matched with experimentally obtained elastographic images to better quantify regional lung material properties to noninvasively diagnose and stage disease and response to treatment. PMID:25190415

A comprehensive computational model of sound transmission through the porcine lung.

PubMed

Dai, Zoujun; Peng, Ying; Henry, Brian M; Mansy, Hansen A; Sandler, Richard H; Royston, Thomas J

2014-09-01

A comprehensive computational simulation model of sound transmission through the porcine lung is introduced and experimentally evaluated. This "subject-specific" model utilizes parenchymal and major airway geometry derived from x-ray CT images. The lung parenchyma is modeled as a poroviscoelastic material using Biot theory. A finite element (FE) mesh of the lung that includes airway detail is created and used in comsol FE software to simulate the vibroacoustic response of the lung to sound input at the trachea. The FE simulation model is validated by comparing simulation results to experimental measurements using scanning laser Doppler vibrometry on the surface of an excised, preserved lung. The FE model can also be used to calculate and visualize vibroacoustic pressure and motion inside the lung and its airways caused by the acoustic input. The effect of diffuse lung fibrosis and of a local tumor on the lung acoustic response is simulated and visualized using the FE model. In the future, this type of visualization can be compared and matched with experimentally obtained elastographic images to better quantify regional lung material properties to noninvasively diagnose and stage disease and response to treatment.

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.

Modeling and analysis of a resonant nanosystem

NASA Astrophysics Data System (ADS)

Calvert, Scott L.

The majority of investigations into nanoelectromechanical resonators focus on a single area of the resonator's function. This focus varies from the development of a model for a beam's vibration, to the modeling of electrostatic forces, to a qualitative explanation of experimentally-obtained currents. Despite these efforts, there remains a gap between these works, and the level of sophistication needed to truly design nanoresonant systems for efficient commercial use. Towards this end, a comprehensive system model for both a nanobeam resonator and its related experimental setup is proposed. Furthermore, a simulation arrangement is suggested as a method for facilitating the study of the system-level behavior of these devices in a variety of cases that could not be easily obtained experimentally or analytically. The dynamics driving the nanoresonator's motion, as well as the electrical interactions influencing the forcing and output of the system, are modeled, experimentally validated, and studied. The model seeks to develop both a simple circuit representation of the nanoresonator, and to create a mathematical system that can be used to predict and interpret the observed behavior. Due to the assumptions used to simplify the model to a point of reasonable comprehension, the model is most accurate for small beam deflections near the first eigenmode of the beam. The process and results of an experimental investigation are documented, and compared with a circuit simulation modeling the full test system. The comparison qualitatively proves the functionality of the model, while a numerical analysis serves to validate the functionality and setup of the circuit simulation. The use of the simulation enables a much broader investigation of both the electrical behavior and the physical device's dynamics. It is used to complement an assessment of the tuning behavior of the system's linear natural frequency by demonstrating the tuning behavior of the full nonlinear response. The simulation is used to demonstrate the difficulties with the contemporary mixing approach to experimental data collection and to complete a variety of case studies investigating the use of the nanoresonator systems in practical applications, such as signal filtering. Many of these case studies would be difficult to complete analytically, but results are quickly achieved through the use of the simulation.

Designing Free Energy Surfaces That Match Experimental Data with Metadynamics

DOE PAGES

White, Andrew D.; Dama, James F.; Voth, Gregory A.

2015-04-30

Creating models that are consistent with experimental data is essential in molecular modeling. This is often done by iteratively tuning the molecular force field of a simulation to match experimental data. An alternative method is to bias a simulation, leading to a hybrid model composed of the original force field and biasing terms. Previously we introduced such a method called experiment directed simulation (EDS). EDS minimally biases simulations to match average values. We also introduce a new method called experiment directed metadynamics (EDM) that creates minimal biases for matching entire free energy surfaces such as radial distribution functions and phi/psimore » angle free energies. It is also possible with EDM to create a tunable mixture of the experimental data and free energy of the unbiased ensemble with explicit ratios. EDM can be proven to be convergent, and we also present proof, via a maximum entropy argument, that the final bias is minimal and unique. Examples of its use are given in the construction of ensembles that follow a desired free energy. Finally, the example systems studied include a Lennard-Jones fluid made to match a radial distribution function, an atomistic model augmented with bioinformatics data, and a three-component electrolyte solution where ab initio simulation data is used to improve a classical empirical model.« less

Designing free energy surfaces that match experimental data with metadynamics.

PubMed

White, Andrew D; Dama, James F; Voth, Gregory A

2015-06-09

Creating models that are consistent with experimental data is essential in molecular modeling. This is often done by iteratively tuning the molecular force field of a simulation to match experimental data. An alternative method is to bias a simulation, leading to a hybrid model composed of the original force field and biasing terms. We previously introduced such a method called experiment directed simulation (EDS). EDS minimally biases simulations to match average values. In this work, we introduce a new method called experiment directed metadynamics (EDM) that creates minimal biases for matching entire free energy surfaces such as radial distribution functions and phi/psi angle free energies. It is also possible with EDM to create a tunable mixture of the experimental data and free energy of the unbiased ensemble with explicit ratios. EDM can be proven to be convergent, and we also present proof, via a maximum entropy argument, that the final bias is minimal and unique. Examples of its use are given in the construction of ensembles that follow a desired free energy. The example systems studied include a Lennard-Jones fluid made to match a radial distribution function, an atomistic model augmented with bioinformatics data, and a three-component electrolyte solution where ab initio simulation data is used to improve a classical empirical model.

A Model of In vitro Plasticity at the Parallel Fiber—Molecular Layer Interneuron Synapses

PubMed Central

Lennon, William; Yamazaki, Tadashi; Hecht-Nielsen, Robert

2015-01-01

Theoretical and computational models of the cerebellum typically focus on the role of parallel fiber (PF)—Purkinje cell (PKJ) synapses for learned behavior, but few emphasize the role of the molecular layer interneurons (MLIs)—the stellate and basket cells. A number of recent experimental results suggest the role of MLIs is more important than previous models put forth. We investigate learning at PF—MLI synapses and propose a mathematical model to describe plasticity at this synapse. We perform computer simulations with this form of learning using a spiking neuron model of the MLI and show that it reproduces six in vitro experimental results in addition to simulating four novel protocols. Further, we show how this plasticity model can predict the results of other experimental protocols that are not simulated. Finally, we hypothesize what the biological mechanisms are for changes in synaptic efficacy that embody the phenomenological model proposed here. PMID:26733856

Experimental Errors in QSAR Modeling Sets: What We Can Do and What We Cannot Do.

PubMed

Zhao, Linlin; Wang, Wenyi; Sedykh, Alexander; Zhu, Hao

2017-06-30

Numerous chemical data sets have become available for quantitative structure-activity relationship (QSAR) modeling studies. However, the quality of different data sources may be different based on the nature of experimental protocols. Therefore, potential experimental errors in the modeling sets may lead to the development of poor QSAR models and further affect the predictions of new compounds. In this study, we explored the relationship between the ratio of questionable data in the modeling sets, which was obtained by simulating experimental errors, and the QSAR modeling performance. To this end, we used eight data sets (four continuous endpoints and four categorical endpoints) that have been extensively curated both in-house and by our collaborators to create over 1800 various QSAR models. Each data set was duplicated to create several new modeling sets with different ratios of simulated experimental errors (i.e., randomizing the activities of part of the compounds) in the modeling process. A fivefold cross-validation process was used to evaluate the modeling performance, which deteriorates when the ratio of experimental errors increases. All of the resulting models were also used to predict external sets of new compounds, which were excluded at the beginning of the modeling process. The modeling results showed that the compounds with relatively large prediction errors in cross-validation processes are likely to be those with simulated experimental errors. However, after removing a certain number of compounds with large prediction errors in the cross-validation process, the external predictions of new compounds did not show improvement. Our conclusion is that the QSAR predictions, especially consensus predictions, can identify compounds with potential experimental errors. But removing those compounds by the cross-validation procedure is not a reasonable means to improve model predictivity due to overfitting.

Experimental Errors in QSAR Modeling Sets: What We Can Do and What We Cannot Do

PubMed Central

2017-01-01

Numerous chemical data sets have become available for quantitative structure–activity relationship (QSAR) modeling studies. However, the quality of different data sources may be different based on the nature of experimental protocols. Therefore, potential experimental errors in the modeling sets may lead to the development of poor QSAR models and further affect the predictions of new compounds. In this study, we explored the relationship between the ratio of questionable data in the modeling sets, which was obtained by simulating experimental errors, and the QSAR modeling performance. To this end, we used eight data sets (four continuous endpoints and four categorical endpoints) that have been extensively curated both in-house and by our collaborators to create over 1800 various QSAR models. Each data set was duplicated to create several new modeling sets with different ratios of simulated experimental errors (i.e., randomizing the activities of part of the compounds) in the modeling process. A fivefold cross-validation process was used to evaluate the modeling performance, which deteriorates when the ratio of experimental errors increases. All of the resulting models were also used to predict external sets of new compounds, which were excluded at the beginning of the modeling process. The modeling results showed that the compounds with relatively large prediction errors in cross-validation processes are likely to be those with simulated experimental errors. However, after removing a certain number of compounds with large prediction errors in the cross-validation process, the external predictions of new compounds did not show improvement. Our conclusion is that the QSAR predictions, especially consensus predictions, can identify compounds with potential experimental errors. But removing those compounds by the cross-validation procedure is not a reasonable means to improve model predictivity due to overfitting. PMID:28691113

A Numerical/Experimental Study on the Impact and CAI Behaviour of Glass Reinforced Compsite Plates

NASA Astrophysics Data System (ADS)

Perillo, Giovanni; Jørgensen, Jens K.; Cristiano, Roberta; Riccio, Aniello

2018-04-01

This paper focuses on the development of an advance numerical model specifically for simulating low velocity impact events and related stiffness reduction on composite structures. The model is suitable for low cost thick composite structures like wind turbine blade and maritime vessels. The model consist of a combination of inter and intra laminar models. The intra-laminar model present a combination of Puck and Hashin failure theories for the evaluation of the fibre and matrix failure. The inter-laminar damage is instead simulated by Cohesive Zone Method based on energy approach. Basic material properties, easily measurable according to standardized tests, are required. The model has been used to simulate impact and compression after impact tests. Experimental tests have been carried out on thick E-Glass/Epoxy composite commonly used in the wind turbine industry. The clustering effect as well as the consequence of the impact energy have been experimentally tested. The accuracy of numerical model has been verified against experimental data showing a very good accuracy of the model.

Analysis of a DNA simulation model through hairpin melting experiments.

PubMed

Linak, Margaret C; Dorfman, Kevin D

2010-09-28

We compare the predictions of a two-bead Brownian dynamics simulation model to melting experiments of DNA hairpins with complementary AT or GC stems and noninteracting loops in buffer A. This system emphasizes the role of stacking and hydrogen bonding energies, which are characteristics of DNA, rather than backbone bending, stiffness, and excluded volume interactions, which are generic characteristics of semiflexible polymers. By comparing high throughput data on the open-close transition of various DNA hairpins to the corresponding simulation data, we (1) establish a suitable metric to compare the simulations to experiments, (2) find a conversion between the simulation and experimental temperatures, and (3) point out several limitations of the model, including the lack of G-quartets and cross stacking effects. Our approach and experimental data can be used to validate similar coarse-grained simulation models.

Numerical simulation of hot-melt extrusion processes for amorphous solid dispersions using model-based melt viscosity.

PubMed

Bochmann, Esther S; Steffens, Kristina E; Gryczke, Andreas; Wagner, Karl G

2018-03-01

Simulation of HME processes is a valuable tool for increased process understanding and ease of scale-up. However, the experimental determination of all required input parameters is tedious, namely the melt rheology of the amorphous solid dispersion (ASD) in question. Hence, a procedure to simplify the application of hot-melt extrusion (HME) simulation for forming amorphous solid dispersions (ASD) is presented. The commercial 1D simulation software Ludovic ® was used to conduct (i) simulations using a full experimental data set of all input variables including melt rheology and (ii) simulations using model-based melt viscosity data based on the ASDs glass transition and the physical properties of polymeric matrix only. Both types of HME computation were further compared to experimental HME results. Variation in physical properties (e.g. heat capacity, density) and several process characteristics of HME (residence time distribution, energy consumption) among the simulations and experiments were evaluated. The model-based melt viscosity was calculated by using the glass transition temperature (T g ) of the investigated blend and the melt viscosity of the polymeric matrix by means of a T g -viscosity correlation. The results of measured melt viscosity and model-based melt viscosity were similar with only few exceptions, leading to similar HME simulation outcomes. At the end, the experimental effort prior to HME simulation could be minimized and the procedure enables a good starting point for rational development of ASDs by means of HME. As model excipients, Vinylpyrrolidone-vinyl acetate copolymer (COP) in combination with various APIs (carbamazepine, dipyridamole, indomethacin, and ibuprofen) or polyethylene glycol (PEG 1500) as plasticizer were used to form the ASDs. Copyright © 2017 Elsevier B.V. All rights reserved.

Anomalous T2 relaxation in normal and degraded cartilage.

PubMed

Reiter, David A; Magin, Richard L; Li, Weiguo; Trujillo, Juan J; Pilar Velasco, M; Spencer, Richard G

2016-09-01

To compare the ordinary monoexponential model with three anomalous relaxation models-the stretched Mittag-Leffler, stretched exponential, and biexponential functions-using both simulated and experimental cartilage relaxation data. Monte Carlo simulations were used to examine both the ability of identifying a given model under high signal-to-noise ratio (SNR) conditions and the accuracy and precision of parameter estimates under more modest SNR as would be encountered clinically. Experimental transverse relaxation data were analyzed from normal and enzymatically degraded cartilage samples under high SNR and rapid echo sampling to compare each model. Both simulation and experimental results showed improvement in signal representation with the anomalous relaxation models. The stretched exponential model consistently showed the lowest mean squared error in experimental data and closely represents the signal decay over multiple decades of the decay time (e.g., 1-10 ms, 10-100 ms, and >100 ms). The stretched exponential parameter αse showed an inverse correlation with biochemically derived cartilage proteoglycan content. Experimental results obtained at high field suggest potential application of αse as a measure of matrix integrity. Simulation reflecting more clinical imaging conditions, indicate the ability to robustly estimate αse and distinguish between normal and degraded tissue, highlighting its potential as a biomarker for human studies. Magn Reson Med 76:953-962, 2016. © 2015 Wiley Periodicals, Inc. © 2015 Wiley Periodicals, Inc.

TiOx deposited by magnetron sputtering: a joint modelling and experimental study

NASA Astrophysics Data System (ADS)

Tonneau, R.; Moskovkin, P.; Pflug, A.; Lucas, S.

2018-05-01

This paper presents a 3D multiscale simulation approach to model magnetron reactive sputter deposition of TiOx⩽2 at various O2 inlets and its validation against experimental results. The simulation first involves the transport of sputtered material in a vacuum chamber by means of a three-dimensional direct simulation Monte Carlo (DSMC) technique. Second, the film growth at different positions on a 3D substrate is simulated using a kinetic Monte Carlo (kMC) method. When simulating the transport of species in the chamber, wall chemistry reactions are taken into account in order to get the proper content of the reactive species in the volume. Angular and energy distributions of particles are extracted from DSMC and used for film growth modelling by kMC. Along with the simulation, experimental deposition of TiOx coatings on silicon samples placed at different positions on a curved sample holder was performed. The experimental results are in agreement with the simulated ones. For a given coater, the plasma phase hysteresis behaviour, film composition and film morphology are predicted. The used methodology can be applied to any coater and any films. This paves the way to the elaboration of a virtual coater allowing a user to predict composition and morphology of films deposited in silico.

Predictions of Cockpit Simulator Experimental Outcome Using System Models

NASA Technical Reports Server (NTRS)

Sorensen, J. A.; Goka, T.

1984-01-01

This study involved predicting the outcome of a cockpit simulator experiment where pilots used cockpit displays of traffic information (CDTI) to establish and maintain in-trail spacing behind a lead aircraft during approach. The experiments were run on the NASA Ames Research Center multicab cockpit simulator facility. Prior to the experiments, a mathematical model of the pilot/aircraft/CDTI flight system was developed which included relative in-trail and vertical dynamics between aircraft in the approach string. This model was used to construct a digital simulation of the string dynamics including response to initial position errors. The model was then used to predict the outcome of the in-trail following cockpit simulator experiments. Outcome included performance and sensitivity to different separation criteria. The experimental results were then used to evaluate the model and its prediction accuracy. Lessons learned in this modeling and prediction study are noted.

Monte Carlo simulation of Ray-Scan 64 PET system and performance evaluation using GATE toolkit

NASA Astrophysics Data System (ADS)

Li, Suying; Zhang, Qiushi; Vuletic, Ivan; Xie, Zhaoheng; Yang, Kun; Ren, Qiushi

2017-02-01

In this study, we aimed to develop a GATE model for the simulation of Ray-Scan 64 PET scanner and model its performance characteristics. A detailed implementation of system geometry and physical process were included in the simulation model. Then we modeled the performance characteristics of Ray-Scan 64 PET system for the first time, based on National Electrical Manufacturers Association (NEMA) NU-2 2007 protocols and validated the model against experimental measurement, including spatial resolution, sensitivity, counting rates and noise equivalent count rate (NECR). Moreover, an accurate dead time module was investigated to simulate the counting rate performance. Overall results showed reasonable agreement between simulation and experimental data. The validation results showed the reliability and feasibility of the GATE model to evaluate major performance of Ray-Scan 64 PET system. It provided a useful tool for a wide range of research applications.

Micro-scale finite element modeling of ultrasound propagation in aluminum trabecular bone-mimicking phantoms: A comparison between numerical simulation and experimental results.

PubMed

Vafaeian, B; Le, L H; Tran, T N H T; El-Rich, M; El-Bialy, T; Adeeb, S

2016-05-01

The present study investigated the accuracy of micro-scale finite element modeling for simulating broadband ultrasound propagation in water-saturated trabecular bone-mimicking phantoms. To this end, five commercially manufactured aluminum foam samples as trabecular bone-mimicking phantoms were utilized for ultrasonic immersion through-transmission experiments. Based on micro-computed tomography images of the same physical samples, three-dimensional high-resolution computational samples were generated to be implemented in the micro-scale finite element models. The finite element models employed the standard Galerkin finite element method (FEM) in time domain to simulate the ultrasonic experiments. The numerical simulations did not include energy dissipative mechanisms of ultrasonic attenuation; however, they expectedly simulated reflection, refraction, scattering, and wave mode conversion. The accuracy of the finite element simulations were evaluated by comparing the simulated ultrasonic attenuation and velocity with the experimental data. The maximum and the average relative errors between the experimental and simulated attenuation coefficients in the frequency range of 0.6-1.4 MHz were 17% and 6% respectively. Moreover, the simulations closely predicted the time-of-flight based velocities and the phase velocities of ultrasound with maximum relative errors of 20 m/s and 11 m/s respectively. The results of this study strongly suggest that micro-scale finite element modeling can effectively simulate broadband ultrasound propagation in water-saturated trabecular bone-mimicking structures. Copyright © 2016 Elsevier B.V. All rights reserved.

SICONID: a FORTRAN-77 program for conditional simulation in one dimension

NASA Astrophysics Data System (ADS)

Pardo-Igúzquiza, E.; Chica-Olmo, M.; Delgado-García, J.

1992-07-01

The SICONID program, written in FORTRAN 77 for the conditional simulation of geological variables in one dimension, is presented. The program permits all the necessary steps to obtain a simulated series of the experimental data to be carried out. These states are: acquisition of the experimental values, modelization of the anamorphosis function, variogram of the normal scores, conditional simulation, and restoration of the experimental histogram. A practical case of simulation of the evolution of the groundwater level in a survey to show the operation of the program is given.

Improvements and validation of the erythropoiesis control model for bed rest simulation

NASA Technical Reports Server (NTRS)

Leonard, J. I.

1977-01-01

The most significant improvement in the model is the explicit formulation of separate elements representing erythropoietin production and red cell production. Other modifications include bone marrow time-delays, capability to shift oxyhemoglobin affinity and an algorithm for entering experimental data as time-varying driving functions. An area of model development is suggested by applying the model to simulating onset, diagnosis and treatment of a hematologic disorder. Recommendations for further improvements in the model and suggestions for experimental application are also discussed. A detailed analysis of the hematologic response to bed rest including simulation of the recent Baylor Medical College bed rest studies is also presented.

Reactive Flow Modeling of Liquid Explosives via ALE3D/Cheetah Simulations

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

Kuo, I W; Bastea, S; Fried, L E

2010-03-10

We carried out reactive flow simulations of liquid explosives such as nitromethane using the hydrodynamic code ALE3D coupled with equations of state and reaction kinetics modeled by the thermochemical code Cheetah. The simulation set-up was chosen to mimic cylinder experiments. For pure unconfined nitromethane we find that the failure diameter and detonation velocity dependence on charge diameter are in agreement with available experimental results. Such simulations are likely to be useful for determining detonability and failure behavior for a wide range of experimental conditions and explosive compounds.

Large eddy simulation of piloted pulverised coal combustion using extended flamelet/progress variable model

NASA Astrophysics Data System (ADS)

Wen, Xu; Luo, Kun; Jin, Hanhui; Fan, Jianren

2017-09-01

An extended flamelet/progress variable (EFPV) model for simulating pulverised coal combustion (PCC) in the context of large eddy simulation (LES) is proposed, in which devolatilisation, char surface reaction and radiation are all taken into account. The pulverised coal particles are tracked in the Lagrangian framework with various sub-models and the sub-grid scale (SGS) effects of turbulent velocity and scalar fluctuations on the coal particles are modelled by the velocity-scalar joint filtered density function (VSJFDF) model. The presented model is then evaluated by LES of an experimental piloted coal jet flame and comparing the numerical results with the experimental data and the results from the eddy break up (EBU) model. Detailed quantitative comparisons are carried out. It is found that the proposed model performs much better than the EBU model on radial velocity and species concentrations predictions. Comparing against the adiabatic counterpart, we find that the predicted temperature is evidently lowered and agrees well with the experimental data if the conditional sampling method is adopted.

Molecular dynamics simulations with electronic stopping can reproduce experimental sputtering yields of metals impacted by large cluster ions

NASA Astrophysics Data System (ADS)

Tian, Jiting; Zhou, Wei; Feng, Qijie; Zheng, Jian

2018-03-01

An unsolved problem in research of sputtering from metals induced by energetic large cluster ions is that molecular dynamics (MD) simulations often produce sputtering yields much higher than experimental results. Different from the previous simulations considering only elastic atomic interactions (nuclear stopping), here we incorporate inelastic electrons-atoms interactions (electronic stopping, ES) into MD simulations using a friction model. In this way we have simulated continuous 45° impacts of 10-20 keV C60 on a Ag(111) surface, and found that the calculated sputtering yields can be very close to the experimental results when the model parameter is appropriately assigned. Conversely, when we ignore the effect of ES, the yields are much higher, just like the previous studies. We further expand our research to the sputtering of Au induced by continuous keV C60 or Ar100 bombardments, and obtain quite similar results. Our study indicates that the gap between the experimental and the simulated sputtering yields is probably induced by the ignorance of ES in the simulations, and that a careful treatment of this issue is important for simulations of cluster-ion-induced sputtering, especially for those aiming to compare with experiments.

Modelling of diesel engine fuelled with biodiesel using engine simulation software

NASA Astrophysics Data System (ADS)

Said, Mohd Farid Muhamad; Said, Mazlan; Aziz, Azhar Abdul

2012-06-01

This paper is about modelling of a diesel engine that operates using biodiesel fuels. The model is used to simulate or predict the performance and combustion of the engine by simplified the geometry of engine component in the software. The model is produced using one-dimensional (1D) engine simulation software called GT-Power. The fuel properties library in the software is expanded to include palm oil based biodiesel fuels. Experimental works are performed to investigate the effect of biodiesel fuels on the heat release profiles and the engine performance curves. The model is validated with experimental data and good agreement is observed. The simulation results show that combustion characteristics and engine performances differ when biodiesel fuels are used instead of no. 2 diesel fuel.

Performance Evaluation of 18F Radioluminescence Microscopy Using Computational Simulation

PubMed Central

Wang, Qian; Sengupta, Debanti; Kim, Tae Jin; Pratx, Guillem

2017-01-01

Purpose Radioluminescence microscopy can visualize the distribution of beta-emitting radiotracers in live single cells with high resolution. Here, we perform a computational simulation of 18F positron imaging using this modality to better understand how radioluminescence signals are formed and to assist in optimizing the experimental setup and image processing. Methods First, the transport of charged particles through the cell and scintillator and the resulting scintillation is modeled using the GEANT4 Monte-Carlo simulation. Then, the propagation of the scintillation light through the microscope is modeled by a convolution with a depth-dependent point-spread function, which models the microscope response. Finally, the physical measurement of the scintillation light using an electron-multiplying charge-coupled device (EMCCD) camera is modeled using a stochastic numerical photosensor model, which accounts for various sources of noise. The simulated output of the EMCCD camera is further processed using our ORBIT image reconstruction methodology to evaluate the endpoint images. Results The EMCCD camera model was validated against experimentally acquired images and the simulated noise, as measured by the standard deviation of a blank image, was found to be accurate within 2% of the actual detection. Furthermore, point-source simulations found that a reconstructed spatial resolution of 18.5 μm can be achieved near the scintillator. As the source is moved away from the scintillator, spatial resolution degrades at a rate of 3.5 μm per μm distance. These results agree well with the experimentally measured spatial resolution of 30–40 μm (live cells). The simulation also shows that the system sensitivity is 26.5%, which is also consistent with our previous experiments. Finally, an image of a simulated sparse set of single cells is visually similar to the measured cell image. Conclusions Our simulation methodology agrees with experimental measurements taken with radioluminescence microscopy. This in silico approach can be used to guide further instrumentation developments and to provide a framework for improving image reconstruction. PMID:28273348

Experiment Analysis and Modelling of Compaction Behaviour of Ag60Cu30Sn10 Mixed Metal Powders

NASA Astrophysics Data System (ADS)

Zhou, Mengcheng; Huang, Shangyu; Liu, Wei; Lei, Yu; Yan, Shiwei

2018-03-01

A novel process method combines powder compaction and sintering was employed to fabricate thin sheets of cadmium-free silver based filler metals, the compaction densification behaviour of Ag60Cu30Sn10 mixed metal powders was investigated experimentally. Based on the equivalent density method, the density-dependent Drucker-Prager Cap (DPC) model was introduced to model the powder compaction behaviour. Various experiment procedures were completed to determine the model parameters. The friction coefficients in lubricated and unlubricated die were experimentally determined. The determined material parameters were validated by experiments and numerical simulation of powder compaction process using a user subroutine (USDFLD) in ABAQUS/Standard. The good agreement between the simulated and experimental results indicates that the determined model parameters are able to describe the compaction behaviour of the multicomponent mixed metal powders, which can be further used for process optimization simulations.

Improved turbulence models based on large eddy simulation of homogeneous, incompressible turbulent flows

NASA Technical Reports Server (NTRS)

Bardino, J.; Ferziger, J. H.; Reynolds, W. C.

1983-01-01

The physical bases of large eddy simulation and subgrid modeling are studied. A subgrid scale similarity model is developed that can account for system rotation. Large eddy simulations of homogeneous shear flows with system rotation were carried out. Apparently contradictory experimental results were explained. The main effect of rotation is to increase the transverse length scales in the rotation direction, and thereby decrease the rates of dissipation. Experimental results are shown to be affected by conditions at the turbulence producing grid, which make the initial states a function of the rotation rate. A two equation model is proposed that accounts for effects of rotation and shows good agreement with experimental results. In addition, a Reynolds stress model is developed that represents the turbulence structure of homogeneous shear flows very well and can account also for the effects of system rotation.

Numerical Modelling of Femur Fracture and Experimental Validation Using Bone Simulant.

PubMed

Marco, Miguel; Giner, Eugenio; Larraínzar-Garijo, Ricardo; Caeiro, José Ramón; Miguélez, María Henar

2017-10-01

Bone fracture pattern prediction is still a challenge and an active field of research. The main goal of this article is to present a combined methodology (experimental and numerical) for femur fracture onset analysis. Experimental work includes the characterization of the mechanical properties and fracture testing on a bone simulant. The numerical work focuses on the development of a model whose material properties are provided by the characterization tests. The fracture location and the early stages of the crack propagation are modelled using the extended finite element method and the model is validated by fracture tests developed in the experimental work. It is shown that the accuracy of the numerical results strongly depends on a proper bone behaviour characterization.

An Integrated Modeling and Simulation Methodology for Intelligent Systems Design and Testing

DTIC Science & Technology

2002-08-01

simulation and actual execution. KEYWORDS: Model Continuity, Modeling, Simulation, Experimental Frame, Real Time Systems , Intelligent Systems...the methodology for a stand-alone real time system. Then it will scale up to distributed real time systems . For both systems, step-wise simulation...MODEL CONTINUITY Intelligent real time systems monitor, respond to, or control, an external environment. This environment is connected to the digital

Numerical Simulation and Experimental Verification of Hollow and Foam-Filled Flax-Fabric-Reinforced Epoxy Tubular Energy Absorbers Subjected to Crashing

NASA Astrophysics Data System (ADS)

Sliseris, J.; Yan, L.; Kasal, B.

2017-09-01

Numerical methods for simulating hollow and foam-filled flax-fabric-reinforced epoxy tubular energy absorbers subjected to lateral crashing are presented. The crashing characteristics, such as the progressive failure, load-displacement response, absorbed energy, peak load, and failure modes, of the tubes were simulated and calculated numerically. A 3D nonlinear finite-element model that allows for the plasticity of materials using an isotropic hardening model with strain rate dependence and failure is proposed. An explicit finite-element solver is used to address the lateral crashing of the tubes considering large displacements and strains, plasticity, and damage. The experimental nonlinear crashing load vs. displacement data are successfully described by using the finite-element model proposed. The simulated peak loads and absorbed energy of the tubes are also in good agreement with experimental results.

Simulated Students and Classroom Use of Model-Based Intelligent Tutoring

NASA Technical Reports Server (NTRS)

Koedinger, Kenneth R.

2008-01-01

Two educational uses of models and simulations: 1) Students create models and use simulations ; and 2) Researchers create models of learners to guide development of reliably effective materials. Cognitive tutors simulate and support tutoring - data is crucial to create effective model. Pittsburgh Science of Learning Center: Resources for modeling, authoring, experimentation. Repository of data and theory. Examples of advanced modeling efforts: SimStudent learns rule-based model. Help-seeking model: Tutors metacognition. Scooter uses machine learning detectors of student engagement.

Simulating Human Cognition in the Domain of Air Traffic Control

NASA Technical Reports Server (NTRS)

Freed, Michael; Johnston, James C.; Null, Cynthia H. (Technical Monitor)

1995-01-01

Experiments intended to assess performance in human-machine interactions are often prohibitively expensive, unethical or otherwise impractical to run. Approximations of experimental results can be obtained, in principle, by simulating the behavior of subjects using computer models of human mental behavior. Computer simulation technology has been developed for this purpose. Our goal is to produce a cognitive model suitable to guide the simulation machinery and enable it to closely approximate a human subject's performance in experimental conditions. The described model is designed to simulate a variety of cognitive behaviors involved in routine air traffic control. As the model is elaborated, our ability to predict the effects of novel circumstances on controller error rates and other performance characteristics should increase. This will enable the system to project the impact of proposed changes to air traffic control procedures and equipment on controller performance.

Hybrid Particle-Element Simulation of Impact on Composite Orbital Debris Shields

NASA Technical Reports Server (NTRS)

Fahrenthold, Eric P.

2004-01-01

This report describes the development of new numerical methods and new constitutive models for the simulation of hypervelocity impact effects on spacecraft. The research has included parallel implementation of the numerical methods and material models developed under the project. Validation work has included both one dimensional simulations, for comparison with exact solutions, and three dimensional simulations of published hypervelocity impact experiments. The validated formulations have been applied to simulate impact effects in a velocity and kinetic energy regime outside the capabilities of current experimental methods. The research results presented here allow for the expanded use of numerical simulation, as a complement to experimental work, in future design of spacecraft for hypervelocity impact effects.

Numerical simulation of isolation of cancer cells in a microfluidic chip

NASA Astrophysics Data System (ADS)

Djukic, T.; Topalovic, M.; Filipovic, N.

2015-08-01

Cancer is a disease that is characterized by the uncontrolled increase of numbers of cells. Circulating tumour cells (CTCs) are separated from the primary tumor, circulate in the bloodstream and form metastases. Circulating tumor cells can be identified in the blood of a patient by taking a blood sample. Microfluidic chips are a new technique that is used to isolate these cells from the blood sample. In this paper a numerical model is presented that is able to simulate the motion of individual cells through a microfluidic chip. The proposed numerical model gives very valuable insight into the processes happening within a microfluidic chip. The accuracy of the proposed model is compared with experimental results. The experimental setup that is described in literature is used to create identical geometrical domains and define simulation parameters. A good agreement of experimental and numerical results demonstrates that the proposed model can be successfully used to simulate complex behaviour of CTCs inside microfluidic chips.

Large eddy simulation of shock train in a convergent-divergent nozzle

NASA Astrophysics Data System (ADS)

Mousavi, Seyed Mahmood; Roohi, Ehsan

2014-12-01

This paper discusses the suitability of the Large Eddy Simulation (LES) turbulence modeling for the accurate simulation of the shock train phenomena in a convergent-divergent nozzle. To this aim, we selected an experimentally tested geometry and performed LES simulation for the same geometry. The structure and pressure recovery inside the shock train in the nozzle captured by LES model are compared with the experimental data, analytical expressions and numerical solutions obtained using various alternative turbulence models, including k-ɛ RNG, k-ω SST, and Reynolds stress model (RSM). Comparing with the experimental data, we observed that the LES solution not only predicts the "locations of the first shock" precisely, but also its results are quite accurate before and after the shock train. After validating the LES solution, we investigate the effects of the inlet total pressure on the shock train starting point and length. The effects of changes in the back pressure, nozzle inlet angle (NIA) and wall temperature on the behavior of the shock train are investigated by details.

Performance of Geant4 in simulating semiconductor particle detector response in the energy range below 1 MeV

NASA Astrophysics Data System (ADS)

Soti, G.; Wauters, F.; Breitenfeldt, M.; Finlay, P.; Kraev, I. S.; Knecht, A.; Porobić, T.; Zákoucký, D.; Severijns, N.

2013-11-01

Geant4 simulations play a crucial role in the analysis and interpretation of experiments providing low energy precision tests of the Standard Model. This paper focuses on the accuracy of the description of the electron processes in the energy range between 100 and 1000 keV. The effect of the different simulation parameters and multiple scattering models on the backscattering coefficients is investigated. Simulations of the response of HPGe and passivated implanted planar Si detectors to β particles are compared to experimental results. An overall good agreement is found between Geant4 simulations and experimental data.

Analysis of Waves in Space Plasma (WISP) near field simulation and experiment

NASA Technical Reports Server (NTRS)

Richie, James E.

1992-01-01

The WISP payload scheduler for a 1995 space transportation system (shuttle flight) will include a large power transmitter on board at a wide range of frequencies. The levels of electromagnetic interference/electromagnetic compatibility (EMI/EMC) must be addressed to insure the safety of the shuttle crew. This report is concerned with the simulation and experimental verification of EMI/EMC for the WISP payload in the shuttle cargo bay. The simulations have been carried out using the method of moments for both thin wires and patches to stimulate closed solids. Data obtained from simulation is compared with experimental results. An investigation of the accuracy of the modeling approach is also included. The report begins with a description of the WISP experiment. A description of the model used to simulate the cargo bay follows. The results of the simulation are compared to experimental data on the input impedance of the WISP antenna with the cargo bay present. A discussion of the methods used to verify the accuracy of the model is shown to illustrate appropriate methods for obtaining this information. Finally, suggestions for future work are provided.

Computer simulation of fibrillation threshold measurements and electrophysiologic testing procedures

NASA Technical Reports Server (NTRS)

Grumbach, M. P.; Saxberg, B. E.; Cohen, R. J.

1987-01-01

A finite element model of cardiac conduction was used to simulate two experimental protocols: 1) fibrillation threshold measurements and 2) clinical electrophysiologic (EP) testing procedures. The model consisted of a cylindrical lattice whose properties were determined by four parameters: element length, conduction velocity, mean refractory period, and standard deviation of refractory periods. Different stimulation patterns were applied to the lattice under a given set of lattice parameter values and the response of the model was observed through a simulated electrocardiogram. The studies confirm that the model can account for observations made in experimental fibrillation threshold measurements and in clinical EP testing protocols.

The Use of Simulation Models in Teaching Geomorphology and Hydrology.

ERIC Educational Resources Information Center

Kirkby, Mike; Naden, Pam

1988-01-01

Learning about the physical environment from computer simulation models is discussed in terms of three stages: exploration, experimentation, and calibration. Discusses the effective use of models and presents two computer simulations written in BBC BASIC, STORFLO (for catchment hydrology) and SLOPEK (for hillslope evolution). (Author/GEA)

Simulation Model of A Ferroelectric Field Effect Transistor

NASA Technical Reports Server (NTRS)

MacLeod, Todd C.; Ho, Fat Duen; Russell, Larry W. (Technical Monitor)

2002-01-01

An electronic simulation model has been developed of a ferroelectric field effect transistor (FFET). This model can be used in standard electrical circuit simulation programs to simulate the main characteristics of the FFET. The model uses a previously developed algorithm that incorporates partial polarization as a basis for the design. The model has the main characteristics of the FFET, which are the current hysterisis with different gate voltages and decay of the drain current when the gate voltage is off. The drain current has values matching actual FFET's, which were measured experimentally. The input and output resistance in the model is similar to that of the FFET. The model is valid for all frequencies below RF levels. A variety of different ferroelectric material characteristics can be modeled. The model can be used to design circuits using FFET'S with standard electrical simulation packages. The circuit can be used in designing non-volatile memory circuits and logic circuits and is compatible with all SPICE based circuit analysis programs. The model is a drop in library that integrates seamlessly into a SPICE simulation. A comparison is made between the model and experimental data measured from an actual FFET.

SCOUT: A Fast Monte-Carlo Modeling Tool of Scintillation Camera Output

PubMed Central

Hunter, William C. J.; Barrett, Harrison H.; Lewellen, Thomas K.; Miyaoka, Robert S.; Muzi, John P.; Li, Xiaoli; McDougald, Wendy; MacDonald, Lawrence R.

2011-01-01

We have developed a Monte-Carlo photon-tracking and readout simulator called SCOUT to study the stochastic behavior of signals output from a simplified rectangular scintillation-camera design. SCOUT models the salient processes affecting signal generation, transport, and readout. Presently, we compare output signal statistics from SCOUT to experimental results for both a discrete and a monolithic camera. We also benchmark the speed of this simulation tool and compare it to existing simulation tools. We find this modeling tool to be relatively fast and predictive of experimental results. Depending on the modeled camera geometry, we found SCOUT to be 4 to 140 times faster than other modeling tools. PMID:22072297

SCOUT: a fast Monte-Carlo modeling tool of scintillation camera output†

PubMed Central

Hunter, William C J; Barrett, Harrison H.; Muzi, John P.; McDougald, Wendy; MacDonald, Lawrence R.; Miyaoka, Robert S.; Lewellen, Thomas K.

2013-01-01

We have developed a Monte-Carlo photon-tracking and readout simulator called SCOUT to study the stochastic behavior of signals output from a simplified rectangular scintillation-camera design. SCOUT models the salient processes affecting signal generation, transport, and readout of a scintillation camera. Presently, we compare output signal statistics from SCOUT to experimental results for both a discrete and a monolithic camera. We also benchmark the speed of this simulation tool and compare it to existing simulation tools. We find this modeling tool to be relatively fast and predictive of experimental results. Depending on the modeled camera geometry, we found SCOUT to be 4 to 140 times faster than other modeling tools. PMID:23640136

Activated sludge pilot plant: comparison between experimental and predicted concentration profiles using three different modelling approaches.

PubMed

Le Moullec, Y; Potier, O; Gentric, C; Leclerc, J P

2011-05-01

This paper presents an experimental and numerical study of an activated sludge channel pilot plant. Concentration profiles of oxygen, COD, NO(3) and NH(4) have been measured for several operating conditions. These profiles have been compared to the simulated ones with three different modelling approaches, namely a systemic approach, CFD and compartmental modelling. For these three approaches, the kinetics model was the ASM-1 model (Henze et al., 2001). The three approaches allowed a reasonable simulation of all the concentration profiles except for ammonium for which the simulations results were far from the experimental ones. The analysis of the results showed that the role of the kinetics model is of primary importance for the prediction of activated sludge reactors performance. The fact that existing kinetics parameters in the literature have been determined by parametric optimisation using a systemic model limits the reliability of the prediction of local concentrations and of the local design of activated sludge reactors. Copyright © 2011 Elsevier Ltd. All rights reserved.

Simulation of Rocket-Grade Kerosene Flowing in an Electrically Heated Experimental Apparatus

DTIC Science & Technology

2015-07-01

Technical Paper 3. DATES COVERED (From - To) July 2015-July 2015 4. TITLE AND SUBTITLE Simulation of Rocket Kerosene Flowing in an Electrically Heated...rocket-grade kerosene (RP-2) flowing in an electrically heated tube is simulated. The model and boundary conditions are selected so as to simulate an...and Astronautics 1 Simulation of Rocket-Grade Kerosene Flowing in an Electrically Heated Experimental Apparatus Ananda Himansu1 and Matthew C

Numerical and experimental studies on effects of moisture content on combustion characteristics of simulated municipal solid wastes in a fixed bed.

PubMed

Sun, Rui; Ismail, Tamer M; Ren, Xiaohan; Abd El-Salam, M

2015-05-01

In order to reveal the features of the combustion process in the porous bed of a waste incinerator, a two-dimensional unsteady state model and experimental study were employed to investigate the combustion process in a fixed bed of municipal solid waste (MSW) on the combustion process in a fixed bed reactor. Conservation equations of the waste bed were implemented to describe the incineration process. The gas phase turbulence was modeled using the k-ε turbulent model and the particle phase was modeled using the kinetic theory of granular flow. The rate of moisture evaporation, devolatilization rate, and char burnout was calculated according to the waste property characters. The simulation results were then compared with experimental data for different moisture content of MSW, which shows that the incineration process of waste in the fixed bed is reasonably simulated. The simulation results of solid temperature, gas species and process rate in the bed are accordant with experimental data. Due to the high moisture content of fuel, moisture evaporation consumes a vast amount of heat, and the evaporation takes up most of the combustion time (about 2/3 of the whole combustion process). The whole bed combustion process reduces greatly as MSW moisture content increases. The experimental and simulation results provide direction for design and optimization of the fixed bed of MSW. Copyright © 2015 Elsevier Ltd. All rights reserved.

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.

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

PubMed

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

2013-05-01

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

Numerical simulations of the NREL S826 airfoil

NASA Astrophysics Data System (ADS)

Sagmo, KF; Bartl, J.; Sætran, L.

2016-09-01

2D and 3D steady state simulations were done using the commercial CFD package Star-CCM+ with three different RANS turbulence models. Lift and drag coefficients were simulated at different angles of attack for the NREL S826 airfoil at a Reynolds number of 100 000, and compared to experimental data obtained at NTNU and at DTU. The Spalart-Allmaras and the Realizable k-epsilon turbulence models reproduced experimental results for lift well in the 2D simulations. The 3D simulations with the Realizable two-layer k-epsilon model predicted essentially the same lift coefficients as the 2D Spalart-Allmaras simulations. A comparison between 2D and 3D simulations with the Realizable k-epsilon model showed a significantly lower prediction in drag by the 2D simulations. From the conducted 3D simulations surface pressure predictions along the wing span were presented, along with volumetric renderings of vorticity. Both showed a high degree of span wise flow variation when going into the stall region, and predicted a flow field resembling that of stall cells for angles of attack above peak lift.

A Framework for Image-Based Modeling of Acute Myocardial Ischemia Using Intramurally Recorded Extracellular Potentials.

PubMed

Burton, Brett M; Aras, Kedar K; Good, Wilson W; Tate, Jess D; Zenger, Brian; MacLeod, Rob S

2018-05-21

The biophysical basis for electrocardiographic evaluation of myocardial ischemia stems from the notion that ischemic tissues develop, with relative uniformity, along the endocardial aspects of the heart. These injured regions of subendocardial tissue give rise to intramural currents that lead to ST segment deflections within electrocardiogram (ECG) recordings. The concept of subendocardial ischemic regions is often used in clinical practice, providing a simple and intuitive description of ischemic injury; however, such a model grossly oversimplifies the presentation of ischemic disease-inadvertently leading to errors in ECG-based diagnoses. Furthermore, recent experimental studies have brought into question the subendocardial ischemia paradigm suggesting instead a more distributed pattern of tissue injury. These findings come from experiments and so have both the impact and the limitations of measurements from living organisms. Computer models have often been employed to overcome the constraints of experimental approaches and have a robust history in cardiac simulation. To this end, we have developed a computational simulation framework aimed at elucidating the effects of ischemia on measurable cardiac potentials. To validate our framework, we simulated, visualized, and analyzed 226 experimentally derived acute myocardial ischemic events. Simulation outcomes agreed both qualitatively (feature comparison) and quantitatively (correlation, average error, and significance) with experimentally obtained epicardial measurements, particularly under conditions of elevated ischemic stress. Our simulation framework introduces a novel approach to incorporating subject-specific, geometric models and experimental results that are highly resolved in space and time into computational models. We propose this framework as a means to advance the understanding of the underlying mechanisms of ischemic disease while simultaneously putting in place the computational infrastructure necessary to study and improve ischemia models aimed at reducing diagnostic errors in the clinic.

Validation of the SimSET simulation package for modeling the Siemens Biograph mCT PET scanner

NASA Astrophysics Data System (ADS)

Poon, Jonathan K.; Dahlbom, Magnus L.; Casey, Michael E.; Qi, Jinyi; Cherry, Simon R.; Badawi, Ramsey D.

2015-02-01

Monte Carlo simulation provides a valuable tool in performance assessment and optimization of system design parameters for PET scanners. SimSET is a popular Monte Carlo simulation toolkit that features fast simulation time, as well as variance reduction tools to further enhance computational efficiency. However, SimSET has lacked the ability to simulate block detectors until its most recent release. Our goal is to validate new features of SimSET by developing a simulation model of the Siemens Biograph mCT PET scanner and comparing the results to a simulation model developed in the GATE simulation suite and to experimental results. We used the NEMA NU-2 2007 scatter fraction, count rates, and spatial resolution protocols to validate the SimSET simulation model and its new features. The SimSET model overestimated the experimental results of the count rate tests by 11-23% and the spatial resolution test by 13-28%, which is comparable to previous validation studies of other PET scanners in the literature. The difference between the SimSET and GATE simulation was approximately 4-8% for the count rate test and approximately 3-11% for the spatial resolution test. In terms of computational time, SimSET performed simulations approximately 11 times faster than GATE simulations. The new block detector model in SimSET offers a fast and reasonably accurate simulation toolkit for PET imaging applications.

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

Buitrago, C. Francisco; Bolintineanu, Dan; Seitz, Michelle E.

Designing acid- and ion-containing polymers for optimal proton, ion, or water transport would benefit profoundly from predictive models or theories that relate polymer structures with ionomer morphologies. Recently, atomistic molecular dynamics (MD) simulations were performed to study the morphologies of precise poly(ethylene-co-acrylic acid) copolymer and ionomer melts. Here, we present the first direct comparisons between scattering profiles, I(q), calculated from these atomistic MD simulations and experimental X-ray data for 11 materials. This set of precise polymers has spacers of exactly 9, 15, or 21 carbons between acid groups and has been partially neutralized with Li, Na, Cs, or Zn. Inmore » these polymers, the simulations at 120 °C reveal ionic aggregates with a range of morphologies, from compact, isolated aggregates (type 1) to branched, stringy aggregates (type 2) to branched, stringy aggregates that percolate through the simulation box (type 3). Excellent agreement is found between the simulated and experimental scattering peak positions across all polymer types and aggregate morphologies. The shape of the amorphous halo in the simulated I(q) profile is in excellent agreement with experimental I(q). We found that the modified hard-sphere scattering model fits both the simulation and experimental I(q) data for type 1 aggregate morphologies, and the aggregate sizes and separations are in agreement. Given the stringy structure in types 2 and 3, we develop a scattering model based on cylindrical aggregates. Both the spherical and cylindrical scattering models fit I(q) data from the polymers with type 2 and 3 aggregates equally well, and the extracted aggregate radii and inter- and intra-aggregate spacings are in agreement between simulation and experiment. Furthermore, these dimensions are consistent with real-space analyses of the atomistic MD simulations. By combining simulations and experiments, the ionomer scattering peak can be associated with the average distance between branches of type 2 or 3 aggregates. Furthermore, this direct comparison of X-ray scattering data to the atomistic MD simulations is a substantive step toward providing a comprehensive, predictive model for ionomer morphology, gives substantial support for this atomistic MD model, and provides new credibility to the presence of stringy, branched, and percolated ionic aggregates in precise ionomer melts.« less

Dissipative particle dynamics simulations of polymersomes.

PubMed

Ortiz, Vanessa; Nielsen, Steven O; Discher, Dennis E; Klein, Michael L; Lipowsky, Reinhard; Shillcock, Julian

2005-09-22

A DPD model of PEO-based block copolymer vesicles in water is developed by introducing a new density based coarse graining and by using experimental data for interfacial tension. Simulated as a membrane patch, the DPD model is in excellent agreement with experimental data for both the area expansion modulus and the scaling of hydrophobic core thickness with molecular weight. Rupture simulations of polymer vesicles, or "polymersomes", are presented to illustrate the system sizes feasible with DPD. The results should provide guidance for theoretical derivations of scaling laws and also illustrate how spherical polymer vesicles might be studied in simulation.

Human performance across decision making, selective attention, and working memory tasks: Experimental data and computer simulations.

PubMed

Stocco, Andrea; Yamasaki, Brianna L; Prat, Chantel S

2018-04-01

This article describes the data analyzed in the paper "Individual differences in the Simon effect are underpinned by differences in the competitive dynamics in the basal ganglia: An experimental verification and a computational model" (Stocco et al., 2017) [1]. The data includes behavioral results from participants performing three cognitive tasks (Probabilistic Stimulus Selection (Frank et al., 2004) [2], Simon task (Craft and Simon, 1970) [3], and Automated Operation Span (Unsworth et al., 2005) [4]), as well as simulationed traces generated by a computational neurocognitive model that accounts for individual variations in human performance across the tasks. The experimental data encompasses individual data files (in both preprocessed and native output format) as well as group-level summary files. The simulation data includes the entire model code, the results of a full-grid search of the model's parameter space, and the code used to partition the model space and parallelize the simulations. Finally, the repository includes the R scripts used to carry out the statistical analyses reported in the original paper.

A comparison between theoretical prediction and experimental measurement of the dynamic behavior of spur gears

NASA Technical Reports Server (NTRS)

Rebbechi, Brian; Forrester, B. David; Oswald, Fred B.; Townsend, Dennis P.

1992-01-01

A comparison was made between computer model predictions of gear dynamics behavior and experimental results. The experimental data were derived from the NASA gear noise rig, which was used to record dynamic tooth loads and vibration. The experimental results were compared with predictions from the DSTO Aeronautical Research Laboratory's gear dynamics code for a matrix of 28 load speed points. At high torque the peak dynamic load predictions agree with the experimental results with an average error of 5 percent in the speed range 800 to 6000 rpm. Tooth separation (or bounce), which was observed in the experimental data for light torque, high speed conditions, was simulated by the computer model. The model was also successful in simulating the degree of load sharing between gear teeth in the multiple tooth contact region.

Application of Probability Methods to Assess Crash Modeling Uncertainty

NASA Technical Reports Server (NTRS)

Lyle, Karen H.; Stockwell, Alan E.; Hardy, Robin C.

2003-01-01

Full-scale aircraft crash simulations performed with nonlinear, transient dynamic, finite element codes can incorporate structural complexities such as: geometrically accurate models; human occupant models; and advanced material models to include nonlinear stress-strain behaviors, and material failure. Validation of these crash simulations is difficult due to a lack of sufficient information to adequately determine the uncertainty in the experimental data and the appropriateness of modeling assumptions. This paper evaluates probabilistic approaches to quantify the effects of finite element modeling assumptions on the predicted responses. The vertical drop test of a Fokker F28 fuselage section will be the focus of this paper. The results of a probabilistic analysis using finite element simulations will be compared with experimental data.

Application of Probability Methods to Assess Crash Modeling Uncertainty

NASA Technical Reports Server (NTRS)

Lyle, Karen H.; Stockwell, Alan E.; Hardy, Robin C.

2007-01-01

Full-scale aircraft crash simulations performed with nonlinear, transient dynamic, finite element codes can incorporate structural complexities such as: geometrically accurate models; human occupant models; and advanced material models to include nonlinear stress-strain behaviors, and material failure. Validation of these crash simulations is difficult due to a lack of sufficient information to adequately determine the uncertainty in the experimental data and the appropriateness of modeling assumptions. This paper evaluates probabilistic approaches to quantify the effects of finite element modeling assumptions on the predicted responses. The vertical drop test of a Fokker F28 fuselage section will be the focus of this paper. The results of a probabilistic analysis using finite element simulations will be compared with experimental data.

Simulation of transmission electron microscope images of biological specimens.

PubMed

Rullgård, H; Ofverstedt, L-G; Masich, S; Daneholt, B; Oktem, O

2011-09-01

We present a new approach to simulate electron cryo-microscope images of biological specimens. The framework for simulation consists of two parts; the first is a phantom generator that generates a model of a specimen suitable for simulation, the second is a transmission electron microscope simulator. The phantom generator calculates the scattering potential of an atomic structure in aqueous buffer and allows the user to define the distribution of molecules in the simulated image. The simulator includes a well defined electron-specimen interaction model based on the scalar Schrödinger equation, the contrast transfer function for optics, and a noise model that includes shot noise as well as detector noise including detector blurring. To enable optimal performance, the simulation framework also includes a calibration protocol for setting simulation parameters. To test the accuracy of the new framework for simulation, we compare simulated images to experimental images recorded of the Tobacco Mosaic Virus (TMV) in vitreous ice. The simulated and experimental images show good agreement with respect to contrast variations depending on dose and defocus. Furthermore, random fluctuations present in experimental and simulated images exhibit similar statistical properties. The simulator has been designed to provide a platform for development of new instrumentation and image processing procedures in single particle electron microscopy, two-dimensional crystallography and electron tomography with well documented protocols and an open source code into which new improvements and extensions are easily incorporated. © 2011 The Authors Journal of Microscopy © 2011 Royal Microscopical Society.

Three phase heat and mass transfer model for unsaturated soil freezing process: Part 2 - model validation

NASA Astrophysics Data System (ADS)

Zhang, Yaning; Xu, Fei; Li, Bingxi; Kim, Yong-Song; Zhao, Wenke; Xie, Gongnan; Fu, Zhongbin

2018-04-01

This study aims to validate the three-phase heat and mass transfer model developed in the first part (Three phase heat and mass transfer model for unsaturated soil freezing process: Part 1 - model development). Experimental results from studies and experiments were used for the validation. The results showed that the correlation coefficients for the simulated and experimental water contents at different soil depths were between 0.83 and 0.92. The correlation coefficients for the simulated and experimental liquid water contents at different soil temperatures were between 0.95 and 0.99. With these high accuracies, the developed model can be well used to predict the water contents at different soil depths and temperatures.

Structure and dynamics of complex liquid water: Molecular dynamics simulation

NASA Astrophysics Data System (ADS)

S, Indrajith V.; Natesan, Baskaran

2015-06-01

We have carried out detailed structure and dynamical studies of complex liquid water using molecular dynamics simulations. Three different model potentials, namely, TIP3P, TIP4P and SPC-E have been used in the simulations, in order to arrive at the best possible potential function that could reproduce the structure of experimental bulk water. All the simulations were performed in the NVE micro canonical ensemble using LAMMPS. The radial distribution functions, gOO, gOH and gHH and the self diffusion coefficient, Ds, were calculated for all three models. We conclude from our results that the structure and dynamical parameters obtained for SPC-E model matched well with the experimental values, suggesting that among the models studied here, the SPC-E model gives the best structure and dynamics of bulk water.

MP-Pic simulation of CFB riser with EMMS-based drag model

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

Li, F.; Song, F.; Benyahia, S.

2012-01-01

MP-PIC (multi-phase particle in cell) method combined with the EMMS (energy minimization multi- scale) drag force model was implemented with the open source program MFIX to simulate the gas–solid flows in CFB (circulatingfluidizedbed) risers. Calculated solid flux by the EMMS drag agrees well with the experimental value; while the traditional homogeneous drag over-predicts this value. EMMS drag force model can also predict the macro-and meso-scale structures. Quantitative comparison of the results by the EMMS drag force model and the experimental measurements show high accuracy of the model. The effects of the number of particles per parcel and wall conditions onmore » the simulation results have also been investigated in the paper. This work proved that MP-PIC combined with the EMMS drag model can successfully simulate the fluidized flows in CFB risers and it serves as a candidate to realize real-time simulation of industrial processes in the future.« less

Waterhammer Transient Simulation and Model Anchoring for the Robotic Lunar Lander Propulsion System

NASA Technical Reports Server (NTRS)

Stein, William B.; Trinh, Huu P.; Reynolds, Michael E.; Sharp, David J.

2011-01-01

Waterhammer transients have the potential to adversely impact propulsion system design if not properly addressed. Waterhammer can potentially lead to system plumbing, and component damage. Multi-thruster propulsion systems also develop constructive/destructive wave interference which becomes difficult to predict without detailed models. Therefore, it is important to sufficiently characterize propulsion system waterhammer in order to develop a robust design with minimal impact to other systems. A risk reduction activity was performed at Marshall Space Flight Center to develop a tool for estimating waterhammer through the use of anchored simulation for the Robotic Lunar Lander (RLL) propulsion system design. Testing was performed to simulate waterhammer surges due to rapid valve closure and consisted of twenty-two series of waterhammer tests, resulting in more than 300 valve actuations. These tests were performed using different valve actuation schemes and three system pressures. Data from the valve characterization tests were used to anchor the models that employed MSCSoftware.EASY5 v.2010 to model transient fluid phenomena by using transient forms of mass and energy conservation. The anchoring process was performed by comparing initial model results to experimental data and then iterating the model input to match the simulation results with the experimental data. The models provide good correlation with experimental results, supporting the use of EASY5 as a tool to model fluid transients and provide a baseline for future RLL system modeling. This paper addresses tasks performed during the waterhammer risk reduction activity for the RLL propulsion system. The problem of waterhammer simulation anchoring as applied to the RLL system is discussed with results from the corresponding experimental valve tests. Important factors for waterhammer mitigation are discussed along with potential design impacts to the RLL propulsion system.

Full Core TREAT Kinetics Demonstration Using Rattlesnake/BISON Coupling Within MAMMOTH

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

Ortensi, Javier; DeHart, Mark D.; Gleicher, Frederick N.

2015-08-01

This report summarizes key aspects of research in evaluation of modeling needs for TREAT transient simulation. Using a measured TREAT critical measurement and a transient for a small, experimentally simplified core, Rattlesnake and MAMMOTH simulations are performed building from simple infinite media to a full core model. Cross sections processing methods are evaluated, various homogenization approaches are assessed and the neutronic behavior of the core studied to determine key modeling aspects. The simulation of the minimum critical core with the diffusion solver shows very good agreement with the reference Monte Carlo simulation and the experiment. The full core transient simulationmore » with thermal feedback shows a significantly lower power peak compared to the documented experimental measurement, which is not unexpected in the early stages of model development.« less

Stochastic Time Models of Syllable Structure

PubMed Central

Shaw, Jason A.; Gafos, Adamantios I.

2015-01-01

Drawing on phonology research within the generative linguistics tradition, stochastic methods, and notions from complex systems, we develop a modelling paradigm linking phonological structure, expressed in terms of syllables, to speech movement data acquired with 3D electromagnetic articulography and X-ray microbeam methods. The essential variable in the models is syllable structure. When mapped to discrete coordination topologies, syllabic organization imposes systematic patterns of variability on the temporal dynamics of speech articulation. We simulated these dynamics under different syllabic parses and evaluated simulations against experimental data from Arabic and English, two languages claimed to parse similar strings of segments into different syllabic structures. Model simulations replicated several key experimental results, including the fallibility of past phonetic heuristics for syllable structure, and exposed the range of conditions under which such heuristics remain valid. More importantly, the modelling approach consistently diagnosed syllable structure proving resilient to multiple sources of variability in experimental data including measurement variability, speaker variability, and contextual variability. Prospects for extensions of our modelling paradigm to acoustic data are also discussed. PMID:25996153

Limitations in electrophysiological model development and validation caused by differences between simulations and experimental protocols.

PubMed

Carro, Jesús; Rodríguez-Matas, José F; Monasterio, Violeta; Pueyo, Esther

2017-10-01

Models of ion channel dynamics are usually built by fitting isolated cell experimental values of individual parameters while neglecting the interaction between them. Another shortcoming regards the estimation of ionic current conductances, which is often based on quantification of Action Potential (AP)-derived markers. Although this procedure reduces the uncertainty in the calculation of conductances, many studies evaluate electrophysiological AP-derived markers from single cell simulations, whereas experimental measurements are obtained from tissue preparations. In this work, we explore the limitations of these approaches to estimate ion channel dynamics and maximum current conductances and how they could be overcome by using multiscale simulations of experimental protocols. Four human ventricular cell models, namely ten Tusscher and Panfilov (2006), Grandi et al. (2010), O'Hara et al. (2011), and Carro et al. (2011), were used. Two problems involving scales from ion channels to tissue were investigated: 1) characterization of L-type calcium voltage-dependent inactivation I Ca,L ; 2) identification of major ionic conductance contributors to steady-state AP markers, including APD 90 , APD 75 , APD 50 , APD 25 , Triangulation and maximal and minimal values of V and dV/dt during the AP (V max , V min , dV/dt max , dV/dt min ). Our results show that: 1) I Ca,L inactivation characteristics differed significantly when calculated from model equations and from simulations reproducing the experimental protocols. 2) Large differences were found in the ionic currents contributors to APD 25 , Triangulation, V max , dV/dt max and dV/dt min between single cells and 1D-tissue. When proposing any new model formulation, or evaluating an existing model, consistency between simulated and experimental data should be verified considering all involved effects and scales. Copyright © 2016 Elsevier Ltd. All rights reserved.

Validation of GATE Monte Carlo simulations of the GE Advance/Discovery LS PET scanners.

PubMed

Schmidtlein, C Ross; Kirov, Assen S; Nehmeh, Sadek A; Erdi, Yusuf E; Humm, John L; Amols, Howard I; Bidaut, Luc M; Ganin, Alex; Stearns, Charles W; McDaniel, David L; Hamacher, Klaus A

2006-01-01

The recently developed GATE (GEANT4 application for tomographic emission) Monte Carlo package, designed to simulate positron emission tomography (PET) and single photon emission computed tomography (SPECT) scanners, provides the ability to model and account for the effects of photon noncollinearity, off-axis detector penetration, detector size and response, positron range, photon scatter, and patient motion on the resolution and quality of PET images. The objective of this study is to validate a model within GATE of the General Electric (GE) Advance/Discovery Light Speed (LS) PET scanner. Our three-dimensional PET simulation model of the scanner consists of 12 096 detectors grouped into blocks, which are grouped into modules as per the vendor's specifications. The GATE results are compared to experimental data obtained in accordance with the National Electrical Manufactures Association/Society of Nuclear Medicine (NEMA/SNM), NEMA NU 2-1994, and NEMA NU 2-2001 protocols. The respective phantoms are also accurately modeled thus allowing us to simulate the sensitivity, scatter fraction, count rate performance, and spatial resolution. In-house software was developed to produce and analyze sinograms from the simulated data. With our model of the GE Advance/Discovery LS PET scanner, the ratio of the sensitivities with sources radially offset 0 and 10 cm from the scanner's main axis are reproduced to within 1% of measurements. Similarly, the simulated scatter fraction for the NEMA NU 2-2001 phantom agrees to within less than 3% of measured values (the measured scatter fractions are 44.8% and 40.9 +/- 1.4% and the simulated scatter fraction is 43.5 +/- 0.3%). The simulated count rate curves were made to match the experimental curves by using deadtimes as fit parameters. This resulted in deadtime values of 625 and 332 ns at the Block and Coincidence levels, respectively. The experimental peak true count rate of 139.0 kcps and the peak activity concentration of 21.5 kBq/cc were matched by the simulated results to within 0.5% and 0.1% respectively. The simulated count rate curves also resulted in a peak NECR of 35.2 kcps at 10.8 kBq/cc compared to 37.6 kcps at 10.0 kBq/cc from averaged experimental values. The spatial resolution of the simulated scanner matched the experimental results to within 0.2 mm.

Dynamic simulation of a reverse Brayton refrigerator

NASA Astrophysics Data System (ADS)

Peng, N.; Lei, L. L.; Xiong, L. Y.; Tang, J. C.; Dong, B.; Liu, L. Q.

2014-01-01

A test refrigerator based on the modified Reverse Brayton cycle has been developed in the Chinese Academy of Sciences recently. To study the behaviors of this test refrigerator, a dynamic simulation has been carried out. The numerical model comprises the typical components of the test refrigerator: compressor, valves, heat exchangers, expander and heater. This simulator is based on the oriented-object approach and each component is represented by a set of differential and algebraic equations. The control system of the test refrigerator is also simulated, which can be used to optimize the control strategies. This paper describes all the models and shows the simulation results. Comparisons between simulation results and experimental data are also presented. Experimental validation on the test refrigerator gives satisfactory results.

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

Numerical modeling and experimental validation of thermoplastic composites induction welding

NASA Astrophysics Data System (ADS)

Palmieri, Barbara; Nele, Luigi; Galise, Francesco

2018-05-01

In this work, a numerical simulation and experimental test of the induction welding of continuous fibre-reinforced thermoplastic composites (CFRTPCs) was provided. The thermoplastic Polyamide 66 (PA66) with carbon fiber fabric was used. Using a dedicated software (JMag Designer), the influence of the fundamental process parameters such as temperature, current and holding time was investigated. In order to validate the results of the simulations, and therefore the numerical model used, experimental tests were carried out, and the temperature values measured during the tests were compared with the aid of an optical pyrometer, with those provided by the numerical simulation. The mechanical properties of the welded joints were evaluated by single lap shear tests.

Boiling water jet outflow from a thin nozzle: spatial modeling

NASA Astrophysics Data System (ADS)

Bolotnova, R. Kh.; Korobchinskaya, V. A.

2017-09-01

This study presents dual-temperature two-phase model for liquid-vapor mixture with account for evaporation and inter-phase heat transfer (taken in single-velocity single-pressure approximation). Simulation was performed using the shock-capturing method and moving Lagrangian grids. Analysis was performed for simulated and experimental values of nucleation frequency (for refining the initial number and radius of microbubbles) which affect the evaporation rate. Validity of 2D and 1D simulation was examined through comparison with experimental data. The peculiarities of the water-steam formation at the initial stage of outflow through a thin nozzle were studied for different initial equilibrium states of water for the conditions close to chosen experimental conditions.

Space-filling designs for computer experiments: A review

DOE PAGES

Joseph, V. Roshan

2016-01-29

Improving the quality of a product/process using a computer simulator is a much less expensive option than the real physical testing. However, simulation using computationally intensive computer models can be time consuming and therefore, directly doing the optimization on the computer simulator can be infeasible. Experimental design and statistical modeling techniques can be used for overcoming this problem. This article reviews experimental designs known as space-filling designs that are suitable for computer simulations. In the review, a special emphasis is given for a recently developed space-filling design called maximum projection design. Furthermore, its advantages are illustrated using a simulation conductedmore » for optimizing a milling process.« less

Space-filling designs for computer experiments: A review

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

Joseph, V. Roshan

Improving the quality of a product/process using a computer simulator is a much less expensive option than the real physical testing. However, simulation using computationally intensive computer models can be time consuming and therefore, directly doing the optimization on the computer simulator can be infeasible. Experimental design and statistical modeling techniques can be used for overcoming this problem. This article reviews experimental designs known as space-filling designs that are suitable for computer simulations. In the review, a special emphasis is given for a recently developed space-filling design called maximum projection design. Furthermore, its advantages are illustrated using a simulation conductedmore » for optimizing a milling process.« less

MCMEG: Simulations of both PDD and TPR for 6 MV LINAC photon beam using different MC codes

NASA Astrophysics Data System (ADS)

Fonseca, T. C. F.; Mendes, B. M.; Lacerda, M. A. S.; Silva, L. A. C.; Paixão, L.; Bastos, F. M.; Ramirez, J. V.; Junior, J. P. R.

2017-11-01

The Monte Carlo Modelling Expert Group (MCMEG) is an expert network specializing in Monte Carlo radiation transport and the modelling and simulation applied to the radiation protection and dosimetry research field. For the first inter-comparison task the group launched an exercise to model and simulate a 6 MV LINAC photon beam using the Monte Carlo codes available within their laboratories and validate their simulated results by comparing them with experimental measurements carried out in the National Cancer Institute (INCA) in Rio de Janeiro, Brazil. The experimental measurements were performed using an ionization chamber with calibration traceable to a Secondary Standard Dosimetry Laboratory (SSDL). The detector was immersed in a water phantom at different depths and was irradiated with a radiation field size of 10×10 cm2. This exposure setup was used to determine the dosimetric parameters Percentage Depth Dose (PDD) and Tissue Phantom Ratio (TPR). The validation process compares the MC calculated results to the experimental measured PDD20,10 and TPR20,10. Simulations were performed reproducing the experimental TPR20,10 quality index which provides a satisfactory description of both the PDD curve and the transverse profiles at the two depths measured. This paper reports in detail the modelling process using MCNPx, MCNP6, EGSnrc and Penelope Monte Carlo codes, the source and tally descriptions, the validation processes and the results.

Technical Note: Detective quantum efficiency simulation of a-Se imaging detectors using ARTEMIS.

PubMed

Fang, Yuan; Ito, Takaaki; Nariyuki, Fumito; Kuwabara, Takao; Badano, Aldo; Karim, Karim S

2017-08-01

This work studies the detective quantum efficiency (DQE) of a-Se-based solid state x-ray detectors for medical imaging applications using ARTEMIS, a Monte Carlo simulation tool for modeling x-ray photon, electron and charged carrier transport in semiconductors with the presence of applied electric field. ARTEMIS is used to model the signal formation process in a-Se. The simulation model includes x-ray photon and high-energy electron interactions, and detailed electron-hole pair transport with applied detector bias taking into account drift, diffusion, Coulomb interactions, recombination and trapping. For experimental validation, the DQE performance of prototype a-Se detectors is measured following IEC Testing Standard 62220-1-3. Comparison of simulated and experimental DQE results show reasonable agreement for RQA beam qualities. Experimental validation demonstrated within 5% percentage difference between simulation and experimental DQE results for spatial frequency above 0.25 cycles/mm using uniform applied electric field for RQA beam qualities (RQA5, RQA7 and RQA9). Results include two different prototype detectors with thicknesses of 240 μm and 1 mm. ARTEMIS can be used to model the DQE of a-Se detectors as a function of x-ray energy, detector thickness, and spatial frequency. The ARTEMIS model can be used to improve understanding of the physics of x-ray interactions in a-Se and in optimization studies for the development of novel medical imaging applications. © 2017 American Association of Physicists in Medicine.

A Modified Isotropic-Kinematic Hardening Model to Predict the Defects in Tube Hydroforming Process

NASA Astrophysics Data System (ADS)

Jin, Kai; Guo, Qun; Tao, Jie; Guo, Xun-zhong

2017-11-01

Numerical simulations of tube hydroforming process of hollow crankshafts were conducted by using finite element analysis method. Moreover, the modified model involving the integration of isotropic-kinematic hardening model with ductile criteria model was used to more accurately optimize the process parameters such as internal pressure, feed distance and friction coefficient. Subsequently, hydroforming experiments were performed based on the simulation results. The comparison between experimental and simulation results indicated that the prediction of tube deformation, crack and wrinkle was quite accurate for the tube hydroforming process. Finally, hollow crankshafts with high thickness uniformity were obtained and the thickness distribution between numerical and experimental results was well consistent.

Simulation of a large size inductively coupled plasma generator and comparison with experimental data

NASA Astrophysics Data System (ADS)

Lei, Fan; Li, Xiaoping; Liu, Yanming; Liu, Donglin; Yang, Min; Yu, Yuanyuan

2018-01-01

A two-dimensional axisymmetric inductively coupled plasma (ICP) model with its implementation in the COMSOL (Multi-physics simulation software) platform is described. Specifically, a large size ICP generator filled with argon is simulated in this study. Distributions of the number density and temperature of electrons are obtained for various input power and pressure settings and compared. In addition, the electron trajectory distribution is obtained in simulation. Finally, using experimental data, the results from simulations are compared to assess the veracity of the two-dimensional fluid model. The purpose of this comparison is to validate the veracity of the simulation model. An approximate agreement was found (variation tendency is the same). The main reasons for the numerical magnitude discrepancies are the assumption of a Maxwellian distribution and a Druyvesteyn distribution for the electron energy and the lack of cross sections of collision frequencies and reaction rates for argon plasma.

Computational fluid dynamics modeling of laboratory flames and an industrial flare.

PubMed

Singh, Kanwar Devesh; Gangadharan, Preeti; Chen, Daniel H; Lou, Helen H; Li, Xianchang; Richmond, Peyton

2014-11-01

A computational fluid dynamics (CFD) methodology for simulating the combustion process has been validated with experimental results. Three different types of experimental setups were used to validate the CFD model. These setups include an industrial-scale flare setups and two lab-scale flames. The CFD study also involved three different fuels: C3H6/CH/Air/N2, C2H4/O2/Ar and CH4/Air. In the first setup, flare efficiency data from the Texas Commission on Environmental Quality (TCEQ) 2010 field tests were used to validate the CFD model. In the second setup, a McKenna burner with flat flames was simulated. Temperature and mass fractions of important species were compared with the experimental data. Finally, results of an experimental study done at Sandia National Laboratories to generate a lifted jet flame were used for the purpose of validation. The reduced 50 species mechanism, LU 1.1, the realizable k-epsilon turbulence model, and the EDC turbulence-chemistry interaction model were usedfor this work. Flare efficiency, axial profiles of temperature, and mass fractions of various intermediate species obtained in the simulation were compared with experimental data and a good agreement between the profiles was clearly observed. In particular the simulation match with the TCEQ 2010 flare tests has been significantly improved (within 5% of the data) compared to the results reported by Singh et al. in 2012. Validation of the speciated flat flame data supports the view that flares can be a primary source offormaldehyde emission.

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

PubMed Central

Carlson, Jean M.

2018-01-01

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

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

PubMed

Jones, Eric W; Carlson, Jean M

2018-02-01

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

Numerical simulation of double‐diffusive finger convection

USGS Publications Warehouse

Hughes, Joseph D.; Sanford, Ward E.; Vacher, H. Leonard

2005-01-01

A hybrid finite element, integrated finite difference numerical model is developed for the simulation of double‐diffusive and multicomponent flow in two and three dimensions. The model is based on a multidimensional, density‐dependent, saturated‐unsaturated transport model (SUTRA), which uses one governing equation for fluid flow and another for solute transport. The solute‐transport equation is applied sequentially to each simulated species. Density coupling of the flow and solute‐transport equations is accounted for and handled using a sequential implicit Picard iterative scheme. High‐resolution data from a double‐diffusive Hele‐Shaw experiment, initially in a density‐stable configuration, is used to verify the numerical model. The temporal and spatial evolution of simulated double‐diffusive convection is in good agreement with experimental results. Numerical results are very sensitive to discretization and correspond closest to experimental results when element sizes adequately define the spatial resolution of observed fingering. Numerical results also indicate that differences in the molecular diffusivity of sodium chloride and the dye used to visualize experimental sodium chloride concentrations are significant and cause inaccurate mapping of sodium chloride concentrations by the dye, especially at late times. As a result of reduced diffusion, simulated dye fingers are better defined than simulated sodium chloride fingers and exhibit more vertical mass transfer.

Non-Linear System Identification for Aeroelastic Systems with Application to Experimental Data

NASA Technical Reports Server (NTRS)

Kukreja, Sunil L.

2008-01-01

Representation and identification of a non-linear aeroelastic pitch-plunge system as a model of the NARMAX class is considered. A non-linear difference equation describing this aircraft model is derived theoretically and shown to be of the NARMAX form. Identification methods for NARMAX models are applied to aeroelastic dynamics and its properties demonstrated via continuous-time simulations of experimental conditions. Simulation results show that (i) the outputs of the NARMAX model match closely those generated using continuous-time methods and (ii) NARMAX identification methods applied to aeroelastic dynamics provide accurate discrete-time parameter estimates. Application of NARMAX identification to experimental pitch-plunge dynamics data gives a high percent fit for cross-validated data.

GTE blade injection moulding modeling and verification of models during process approbation

NASA Astrophysics Data System (ADS)

Stepanenko, I. S.; Khaimovich, A. I.

2017-02-01

The simulation model for filling the mould was developed using Moldex3D, and it was experimentally verified in order to perform further optimization calculations of the moulding process conditions. The method described in the article allows adjusting the finite-element model by minimizing the airfoil profile difference between the design and experimental melt motion front due to the differentiated change of power supplied to heating elements, which heat the injection mould in simulation. As a result of calibrating the injection mould for the gas-turbine engine blade, the mean difference between the design melt motion profile and the experimental airfoil profile of no more than 4% was achieved.

Simulation of solid-liquid flows in a stirred bead mill based on computational fluid dynamics (CFD)

NASA Astrophysics Data System (ADS)

Winardi, S.; Widiyastuti, W.; Septiani, E. L.; Nurtono, T.

2018-05-01

The selection of simulation model is an important step in computational fluid dynamics (CFD) to obtain an agreement with experimental work. In addition, computational time and processor speed also influence the performance of the simulation results. Here, we report the simulation of solid-liquid flow in a bead mill using Eulerian model. Multiple Reference Frame (MRF) was also used to model the interaction between moving (shaft and disk) and stationary (chamber exclude shaft and disk) zones. Bead mill dimension was based on the experimental work of Yamada and Sakai (2013). The effect of shaft rotation speed of 1200 and 1800 rpm on the particle distribution and the flow field was discussed. For rotation speed of 1200 rpm, the particles spread evenly throughout the bead mill chamber. On the other hand, for the rotation speed of 1800 rpm, the particles tend to be thrown to the near wall region resulting in the dead zone and found no particle in the center region. The selected model agreed well to the experimental data with average discrepancies less than 10%. Furthermore, the simulation was run without excessive computational cost.

Systematic approach to verification and validation: High explosive burn models

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

Menikoff, Ralph; Scovel, Christina A.

2012-04-16

Most material models used in numerical simulations are based on heuristics and empirically calibrated to experimental data. For a specific model, key questions are determining its domain of applicability and assessing its relative merits compared to other models. Answering these questions should be a part of model verification and validation (V and V). Here, we focus on V and V of high explosive models. Typically, model developers implemented their model in their own hydro code and use different sets of experiments to calibrate model parameters. Rarely can one find in the literature simulation results for different models of the samemore » experiment. Consequently, it is difficult to assess objectively the relative merits of different models. This situation results in part from the fact that experimental data is scattered through the literature (articles in journals and conference proceedings) and that the printed literature does not allow the reader to obtain data from a figure in electronic form needed to make detailed comparisons among experiments and simulations. In addition, it is very time consuming to set up and run simulations to compare different models over sufficiently many experiments to cover the range of phenomena of interest. The first difficulty could be overcome if the research community were to support an online web based database. The second difficulty can be greatly reduced by automating procedures to set up and run simulations of similar types of experiments. Moreover, automated testing would be greatly facilitated if the data files obtained from a database were in a standard format that contained key experimental parameters as meta-data in a header to the data file. To illustrate our approach to V and V, we have developed a high explosive database (HED) at LANL. It now contains a large number of shock initiation experiments. Utilizing the header information in a data file from HED, we have written scripts to generate an input file for a hydro code, run a simulation, and generate a comparison plot showing simulated and experimental velocity gauge data. These scripts are then applied to several series of experiments and to several HE burn models. The same systematic approach is applicable to other types of material models; for example, equations of state models and material strength models.« less

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.

On interfacial properties of tetrahydrofuran: Atomistic and coarse-grained models from molecular dynamics simulation

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

Garrido, J. M.; Algaba, J.; Blas, F. J., E-mail: felipe@uhu.es

2016-04-14

We have determined the interfacial properties of tetrahydrofuran (THF) from direct simulation of the vapor-liquid interface. The molecules are modeled using six different molecular models, three of them based on the united-atom approach and the other three based on a coarse-grained (CG) approach. In the first case, THF is modeled using the transferable parameters potential functions approach proposed by Chandrasekhar and Jorgensen [J. Chem. Phys. 77, 5073 (1982)] and a new parametrization of the TraPPE force fields for cyclic alkanes and ethers [S. J. Keasler et al., J. Phys. Chem. B 115, 11234 (2012)]. In both cases, dispersive and coulombicmore » intermolecular interactions are explicitly taken into account. In the second case, THF is modeled as a single sphere, a diatomic molecule, and a ring formed from three Mie monomers according to the SAFT-γ Mie top-down approach [V. Papaioannou et al., J. Chem. Phys. 140, 054107 (2014)]. Simulations were performed in the molecular dynamics canonical ensemble and the vapor-liquid surface tension is evaluated from the normal and tangential components of the pressure tensor along the simulation box. In addition to the surface tension, we have also obtained density profiles, coexistence densities, critical temperature, density, and pressure, and interfacial thickness as functions of temperature, paying special attention to the comparison between the estimations obtained from different models and literature experimental data. The simulation results obtained from the three CG models as described by the SAFT-γ Mie approach are able to predict accurately the vapor-liquid phase envelope of THF, in excellent agreement with estimations obtained from TraPPE model and experimental data in the whole range of coexistence. However, Chandrasekhar and Jorgensen model presents significant deviations from experimental results. We also compare the predictions for surface tension as obtained from simulation results for all the models with experimental data. The three CG models predict reasonably well (but only qualitatively) the surface tension of THF, as a function of temperature, from the triple point to the critical temperature. On the other hand, only the TraPPE united-atoms models are able to predict accurately the experimental surface tension of the system in the whole temperature range.« less

NASA National Combustion Code Simulations

NASA Technical Reports Server (NTRS)

Iannetti, Anthony; Davoudzadeh, Farhad

2001-01-01

A systematic effort is in progress to further validate the National Combustion Code (NCC) that has been developed at NASA Glenn Research Center (GRC) for comprehensive modeling and simulation of aerospace combustion systems. The validation efforts include numerical simulation of the gas-phase combustor experiments conducted at the Center for Turbulence Research (CTR), Stanford University, followed by comparison and evaluation of the computed results with the experimental data. Presently, at GRC, a numerical model of the experimental gaseous combustor is built to simulate the experimental model. The constructed numerical geometry includes the flow development sections for air annulus and fuel pipe, 24 channel air and fuel swirlers, hub, combustor, and tail pipe. Furthermore, a three-dimensional multi-block, multi-grid grid (1.6 million grid points, 3-levels of multi-grid) is generated. Computational simulation of the gaseous combustor flow field operating on methane fuel has started. The computational domain includes the whole flow regime starting from the fuel pipe and the air annulus, through the 12 air and 12 fuel channels, in the combustion region and through the tail pipe.

Structural relaxation in supercooled orthoterphenyl.

PubMed

Chong, S-H; Sciortino, F

2004-05-01

We report molecular-dynamics simulation results performed for a model of molecular liquid orthoterphenyl in supercooled states, which we then compare with both experimental data and mode-coupling-theory (MCT) predictions, aiming at a better understanding of structural relaxation in orthoterphenyl. We pay special attention to the wave number dependence of the collective dynamics. It is shown that the simulation results for the model share many features with experimental data for real system, and that MCT captures the simulation results at the semiquantitative level except for intermediate wave numbers connected to the overall size of the molecule. Theoretical results at the intermediate wave number region are found to be improved by taking into account the spatial correlation of the molecule's geometrical center. This supports the idea that unusual dynamical properties at the intermediate wave numbers, reported previously in simulation studies for the model and discernible in coherent neutron-scattering experimental data, are basically due to the coupling of the rotational motion to the geometrical-center dynamics. However, there still remain qualitative as well as quantitative discrepancies between theoretical prediction and corresponding simulation results at the intermediate wave numbers, which call for further theoretical investigation.

Pore-scale and Continuum Simulations of Solute Transport Micromodel Benchmark Experiments

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

Oostrom, Martinus; Mehmani, Yashar; Romero Gomez, Pedro DJ

Four sets of micromodel nonreactive solute transport experiments were conducted with flow velocity, grain diameter, pore-aspect ratio, and flow focusing heterogeneity as the variables. The data sets were offered to pore-scale modeling groups to test their simulators. Each set consisted of two learning experiments, for which all results was made available, and a challenge experiment, for which only the experimental description and base input parameters were provided. The experimental results showed a nonlinear dependence of the dispersion coefficient on the Peclet number, a negligible effect of the pore-aspect ratio on transverse mixing, and considerably enhanced mixing due to flow focusing.more » Five pore-scale models and one continuum-scale model were used to simulate the experiments. Of the pore-scale models, two used a pore-network (PN) method, two others are based on a lattice-Boltzmann (LB) approach, and one employed a computational fluid dynamics (CFD) technique. The learning experiments were used by the PN models to modify the standard perfect mixing approach in pore bodies into approaches to simulate the observed incomplete mixing. The LB and CFD models used these experiments to appropriately discretize the grid representations. The continuum model use published non-linear relations between transverse dispersion coefficients and Peclet numbers to compute the required dispersivity input values. Comparisons between experimental and numerical results for the four challenge experiments show that all pore-scale models were all able to satisfactorily simulate the experiments. The continuum model underestimated the required dispersivity values and, resulting in less dispersion. The PN models were able to complete the simulations in a few minutes, whereas the direct models needed up to several days on supercomputers to resolve the more complex problems.« less

Shear test on viscoelastic granular material using Contact Dynamics simulations

NASA Astrophysics Data System (ADS)

Quezada, Juan Carlos; Sagnol, Loba; Chazallon, Cyrille

2017-06-01

By means of 3D contact dynamic simulations, the behavior of a viscoelastic granular material under shear loading is investigated. A viscoelastic fluid phase surrounding the solid particles is simulated by a contact model acting between them. This contact law was implemented in the LMGC90 software, based on the Burgers model. This model is able to simulate also the effect of creep relaxation. To validate the proposed contact model, several direct shear tests were performed, experimentally and numerically using the Leutner device. The numerical samples were created using spheres with two particle size distribution, each one identified for two layers from a road structure. Our results show a reasonable agreement between experimental and numerical data regarding the strain-stress evolution curves and the stress levels measured at failure. The proposed model can be used to simulate the mechanical behavior of multi-layer road structure and to study the influence of traffic on road deformation, cracking and particles pull-out induced by traffic loading.

Experimental and Numerical Simulations of Phase Transformations Occurring During Continuous Annealing of DP Steel Strips

NASA Astrophysics Data System (ADS)

Wrożyna, Andrzej; Pernach, Monika; Kuziak, Roman; Pietrzyk, Maciej

2016-04-01

Due to their exceptional strength properties combined with good workability the Advanced High-Strength Steels (AHSS) are commonly used in automotive industry. Manufacturing of these steels is a complex process which requires precise control of technological parameters during thermo-mechanical treatment. Design of these processes can be significantly improved by the numerical models of phase transformations. Evaluation of predictive capabilities of models, as far as their applicability in simulation of thermal cycles thermal cycles for AHSS is considered, was the objective of the paper. Two models were considered. The former was upgrade of the JMAK equation while the latter was an upgrade of the Leblond model. The models can be applied to any AHSS though the examples quoted in the paper refer to the Dual Phase (DP) steel. Three series of experimental simulations were performed. The first included various thermal cycles going beyond limitations of the continuous annealing lines. The objective was to validate models behavior in more complex cooling conditions. The second set of tests included experimental simulations of the thermal cycle characteristic for the continuous annealing lines. Capability of the models to describe properly phase transformations in this process was evaluated. The third set included data from the industrial continuous annealing line. Validation and verification of models confirmed their good predictive capabilities. Since it does not require application of the additivity rule, the upgrade of the Leblond model was selected as the better one for simulation of industrial processes in AHSS production.

Phenylalanine ab initio models for the simulation of skin natural moisturizing factor

NASA Astrophysics Data System (ADS)

Carvalho, B. G.; Raniero, L. J.; Martin, A. A.; Favero, P. P.

2013-04-01

In this study, we evaluated models that can be used to simulate amino acids in biological environments via density functional theory (DFT). The goal was to obtain realistic representations that combine computational economy and result quality when compared to experimental data. We increased the complexity of the models by using a model of an amino acid in a vacuum, followed by a water-solvated amino acid model. To consider pH variation, we simulated zwitterionic and nonionic amino acid configurations. The amino acid chosen for testing was phenylalanine, an aromatic amino acid present in high concentrations in the natural moisturizing factor of skin that plays a fundamental role in ultraviolet protection and vitiligo disease. To validate the models, vibrational modes and electronic properties were calculated and compared to experimental results.

Computer simulation of the activity of the elderly person living independently in a Health Smart Home.

PubMed

Noury, N; Hadidi, T

2012-12-01

We propose a simulator of human activities collected with presence sensors in our experimental Health Smart Home "Habitat Intelligent pour la Sante (HIS)". We recorded 1492 days of data on several experimental HIS during the French national project "AILISA". On these real data, we built a mathematical model of the behavior of the data series, based on "Hidden Markov Models" (HMM). The model is then played on a computer to produce simulated data series with added flexibility to adjust the parameters in various scenarios. We also tested several methods to measure the similarity between our real and simulated data. Our simulator can produce large data base which can be further used to evaluate the algorithms to raise an alarm in case of loss in autonomy. Copyright © 2012 Elsevier Ireland Ltd. All rights reserved.

Finite element simulation of crack depth measurements in concrete using diffuse ultrasound

NASA Astrophysics Data System (ADS)

Seher, Matthias; Kim, Jin-Yeon; Jacobs, Laurence J.

2012-05-01

This research simulates the measurements of crack depth in concrete using diffuse ultrasound. The finite element method is employed to simulate the ultrasonic diffusion process around cracks with different geometrical shapes, with the goal of gaining physical insight into the data obtained from experimental measurements. The commercial finite element software Ansys is used to implement the two-dimensional concrete model. The model is validated with an analytical solution and experimental results. It is found from the simulation results that preliminary knowledge of the crack geometry is required to interpret the energy evolution curves from measurements and to correctly determine the crack depth.

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.

Direct comparisons of X-ray scattering and atomistic molecular dynamics simulations for precise acid copolymers and ionomers

DOE PAGES

Buitrago, C. Francisco; Bolintineanu, Dan; Seitz, Michelle E.; ...

2015-02-09

Designing acid- and ion-containing polymers for optimal proton, ion, or water transport would benefit profoundly from predictive models or theories that relate polymer structures with ionomer morphologies. Recently, atomistic molecular dynamics (MD) simulations were performed to study the morphologies of precise poly(ethylene-co-acrylic acid) copolymer and ionomer melts. Here, we present the first direct comparisons between scattering profiles, I(q), calculated from these atomistic MD simulations and experimental X-ray data for 11 materials. This set of precise polymers has spacers of exactly 9, 15, or 21 carbons between acid groups and has been partially neutralized with Li, Na, Cs, or Zn. Inmore » these polymers, the simulations at 120 °C reveal ionic aggregates with a range of morphologies, from compact, isolated aggregates (type 1) to branched, stringy aggregates (type 2) to branched, stringy aggregates that percolate through the simulation box (type 3). Excellent agreement is found between the simulated and experimental scattering peak positions across all polymer types and aggregate morphologies. The shape of the amorphous halo in the simulated I(q) profile is in excellent agreement with experimental I(q). We found that the modified hard-sphere scattering model fits both the simulation and experimental I(q) data for type 1 aggregate morphologies, and the aggregate sizes and separations are in agreement. Given the stringy structure in types 2 and 3, we develop a scattering model based on cylindrical aggregates. Both the spherical and cylindrical scattering models fit I(q) data from the polymers with type 2 and 3 aggregates equally well, and the extracted aggregate radii and inter- and intra-aggregate spacings are in agreement between simulation and experiment. Furthermore, these dimensions are consistent with real-space analyses of the atomistic MD simulations. By combining simulations and experiments, the ionomer scattering peak can be associated with the average distance between branches of type 2 or 3 aggregates. Furthermore, this direct comparison of X-ray scattering data to the atomistic MD simulations is a substantive step toward providing a comprehensive, predictive model for ionomer morphology, gives substantial support for this atomistic MD model, and provides new credibility to the presence of stringy, branched, and percolated ionic aggregates in precise ionomer melts.« less

Shedding light on the puzzle of drug-membrane interactions: Experimental techniques and molecular dynamics simulations.

PubMed

Lopes, Daniela; Jakobtorweihen, Sven; Nunes, Cláudia; Sarmento, Bruno; Reis, Salette

2017-01-01

Lipid membranes work as barriers, which leads to inevitable drug-membrane interactions in vivo. These interactions affect the pharmacokinetic properties of drugs, such as their diffusion, transport, distribution, and accumulation inside the membrane. Furthermore, these interactions also affect their pharmacodynamic properties with respect to both therapeutic and toxic effects. Experimental membrane models have been used to perform in vitro assessment of the effects of drugs on the biophysical properties of membranes by employing different experimental techniques. In in silico studies, molecular dynamics simulations have been used to provide new insights at an atomistic level, which enables the study of properties that are difficult or even impossible to measure experimentally. Each model and technique has its advantages and disadvantages. Hence, combining different models and techniques is necessary for a more reliable study. In this review, the theoretical backgrounds of these (in vitro and in silico) approaches are presented, followed by a discussion of the pharmacokinetic and pharmacodynamic properties of drugs that are related to their interactions with membranes. All approaches are discussed in parallel to present for a better connection between experimental and simulation studies. Finally, an overview of the molecular dynamics simulation studies used for drug-membrane interactions is provided. Copyright © 2016 Elsevier Ltd. All rights reserved.

Wound ballistics of the pig mandibular angle: a preliminary finite element analysis and experimental study.

PubMed

Chen, Yubin; Miao, Yingyun; Xu, Chuan; Zhang, Gang; Lei, Tao; Tan, Yinghui

2010-04-19

To study wound ballistics of the mandibular angle, a combined hexahedral-tetrahedral finite element (FE) model of the pig mandible was developed to simulate ballistic impact. An experimental study was carried out by measuring impact load parameters from 14 fresh pig mandibles that were shot at the mandibular angle by a standard 7.62 mm M43 bullet. FE analysis was executed through the LS-DYNA code under impact loads similar to those obtained from the experimental study. The resulting residual velocity, the transferred energy from the bullet to the mandible, and the surface area of the entrance wound had no statistical differences between the FE simulation and the experimental study. However, the mean surface area of the exit wounds in the experimental study was significantly larger than that in the simulation. According to the FE analysis, the stress concentrated zones were mainly located at the region of impact, condylar neck, coronoid process and mandibular body. The simulation results also indicated that trabecular bone had less stress concentration and a lower speed of stress propagation compared with cortical bone. The FE model is appropriate and conforms to the basic principles of wound ballistics. This modeling system will be helpful for further investigations of the biomechanical mechanisms of wound ballistics. Copyright 2009 Elsevier Ltd. All rights reserved.

Coke formation in the thermal cracking of hydrocarbons. 4: Modeling of coke formation in naphtha cracking

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

Reyniers, G.C.; Froment, G.F.; Kopinke, F.D.

1994-11-01

An extensive experimental program has been carried out in a pilot unit for the thermal cracking of hydrocarbons. On the basis of the experimental information and the insight in the mechanisms for coke formation in pyrolysis reactors, a mathematical model describing the coke formation has been derived. This model has been incorporated in the existing simulation tools at the Laboratorium voor Petrochemische Techniek, and the run length of an industrial naphtha cracking furnace has been accurately simulated. In this way the coking model has been validated.

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.

The Diffusion Simulator - Teaching Geomorphic and Geologic Problems Visually.

ERIC Educational Resources Information Center

Gilbert, R.

1979-01-01

Describes a simple hydraulic simulator based on more complex models long used by engineers to develop approximate solutions. It allows students to visualize non-steady transfer, to apply a model to solve a problem, and to compare experimentally simulated information with calculated values. (Author/MA)

Brainlab: A Python Toolkit to Aid in the Design, Simulation, and Analysis of Spiking Neural Networks with the NeoCortical Simulator.

PubMed

Drewes, Rich; Zou, Quan; Goodman, Philip H

2009-01-01

Neuroscience modeling experiments often involve multiple complex neural network and cell model variants, complex input stimuli and input protocols, followed by complex data analysis. Coordinating all this complexity becomes a central difficulty for the experimenter. The Python programming language, along with its extensive library packages, has emerged as a leading "glue" tool for managing all sorts of complex programmatic tasks. This paper describes a toolkit called Brainlab, written in Python, that leverages Python's strengths for the task of managing the general complexity of neuroscience modeling experiments. Brainlab was also designed to overcome the major difficulties of working with the NCS (NeoCortical Simulator) environment in particular. Brainlab is an integrated model-building, experimentation, and data analysis environment for the powerful parallel spiking neural network simulator system NCS.

Brainlab: A Python Toolkit to Aid in the Design, Simulation, and Analysis of Spiking Neural Networks with the NeoCortical Simulator

PubMed Central

Drewes, Rich; Zou, Quan; Goodman, Philip H.

2008-01-01

Neuroscience modeling experiments often involve multiple complex neural network and cell model variants, complex input stimuli and input protocols, followed by complex data analysis. Coordinating all this complexity becomes a central difficulty for the experimenter. The Python programming language, along with its extensive library packages, has emerged as a leading “glue” tool for managing all sorts of complex programmatic tasks. This paper describes a toolkit called Brainlab, written in Python, that leverages Python's strengths for the task of managing the general complexity of neuroscience modeling experiments. Brainlab was also designed to overcome the major difficulties of working with the NCS (NeoCortical Simulator) environment in particular. Brainlab is an integrated model-building, experimentation, and data analysis environment for the powerful parallel spiking neural network simulator system NCS. PMID:19506707

Development and Experimental Verification of a High Resolution, Tunable LIDAR Computer Simulation Model for Atmospheric Laser Remote Sensing

NASA Astrophysics Data System (ADS)

Wilcox, William Edward, Jr.

1995-01-01

A computer program (LIDAR-PC) and associated atmospheric spectral databases have been developed which accurately simulate the laser remote sensing of the atmosphere and the system performance of a direct-detection Lidar or tunable Differential Absorption Lidar (DIAL) system. This simulation program allows, for the first time, the use of several different large atmospheric spectral databases to be coupled with Lidar parameter simulations on the same computer platform to provide a real-time, interactive, and easy to use design tool for atmospheric Lidar simulation and modeling. LIDAR -PC has been used for a range of different Lidar simulations and compared to experimental Lidar data. In general, the simulations agreed very well with the experimental measurements. In addition, the simulation offered, for the first time, the analysis and comparison of experimental Lidar data to easily determine the range-resolved attenuation coefficient of the atmosphere and the effect of telescope overlap factor. The software and databases operate on an IBM-PC or compatible computer platform, and thus are very useful to the research community for Lidar analysis. The complete Lidar and atmospheric spectral transmission modeling program uses the HITRAN database for high-resolution molecular absorption lines of the atmosphere, the BACKSCAT/LOWTRAN computer databases and models for the effects of aerosol and cloud backscatter and attenuation, and the range-resolved Lidar equation. The program can calculate the Lidar backscattered signal-to-noise for a slant path geometry from space and simulate the effect of high resolution, tunable, single frequency, and moderate line width lasers on the Lidar/DIAL signal. The program was used to model and analyze the experimental Lidar data obtained from several measurements. A fixed wavelength, Ho:YSGG aerosol Lidar (Sugimoto, 1990) developed at USF and a tunable Ho:YSGG DIAL system (Cha, 1991) for measuring atmospheric water vapor at 2.1 μm were analyzed. The simulations agreed very well with the measurements, and also yielded, for the first time, the ability to easily deduce the atmospheric attentuation coefficient, alpha, from the Lidar data. Simulations and analysis of other Lidar measurements included that of a 1.57 mu m OPO aerosol Lidar system developed at USF (Harrell, 1995) and of the NASA LITE (Laser-in-Space Technology Experiment) Lidar recently flown in the Space shuttle. Finally, an extensive series of laboratory experiments were made with the 1.57 μm OPO Lidar system to test calculations of the telescope/laser overlap and the effect of different telescope sizes and designs. The simulations agreed well with the experimental data for the telescope diameter and central obscuration test cases. The LIDAR-PC programs are available on the Internet from the USAF Lidar Home Page Web site, http://www.cas.usf.edu/physics/lidar.html/.

Modelling irradiation-induced softening in BCC iron by crystal plasticity approach

NASA Astrophysics Data System (ADS)

Xiao, Xiazi; Terentyev, Dmitry; Yu, Long; Song, Dingkun; Bakaev, A.; Duan, Huiling

2015-11-01

Crystal plasticity model (CPM) for BCC iron to account for radiation-induced strain softening is proposed. CPM is based on the plastically-driven and thermally-activated removal of dislocation loops. Atomistic simulations are applied to parameterize dislocation-defect interactions. Combining experimental microstructures, defect-hardening/absorption rules from atomistic simulations, and CPM fitted to properties of non-irradiated iron, the model achieves a good agreement with experimental data regarding radiation-induced strain softening and flow stress increase under neutron irradiation.

A solid-state [sup 13]C NMR study of the molecular motion of ethylene adsorbed on a silver surface

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

Jianxin Wang; Ellis, P.D.

1993-01-13

The reorientation of ethylene on a silver catalyst surface has been studied by solid-state [sup 13]C NMR. The static cross-polarization spectra at different temperatures have been measured. Different jump site models are proposed to simulate the experimental results. It was found that the models involving a low number of jump sites are more sensitive to the experimental details. By comparison of the simulated and experimental results, the 6- and 4-site jump models are chosen as the most satisfactory model to fit the experimental spectra. On the basis of this representation, the activation energy derived for the jump process is 4.3more » kJ/mol. From the simulated results, it was concluded that the symmetry axis for the motion of the ethylene at low temperatures ([minus]173 to ca. [minus]45[degrees]C) is perpendicular to the plane of the ethylene molecule. At higher temperatures motion about other axes is initiated such that at room temperature a nearly isotropically averaged [sup 13]C shielding tensor is observed. 20 refs., 9 figs.« less

Simulation and experimental research of heat leakage of cryogenic transfer lines

NASA Astrophysics Data System (ADS)

Deng, B. C.; Xie, X. J.; Pan, W.; Jiang, R. X.; Li, J.; Yang, S. Q.; Li, Q.

2017-12-01

The heat leakage of cryogenic transfer lines directly influences the performance of large-scale helium refrigerator. In this paper, a thermal model of cryogenic transfer line considering numerical simulation of support coupled with MLI was established. To validate the model, test platform of cryogenic transfer lines with the merits of disassembly outer pipe and changeable easily multi-layer insulation has been built. The experimental results of heat leakage through overall length of cryogenic transfer lines, support and multi-layer insulation were obtained. The heat leakages of multi-layer insulation, a support and the overall leakage are 1.02 W/m, 0.44 W and 1.46 W/m from experimental data, respectively. The difference of heat leakage of MLI between experiment and simulation were less than 5%. The temperature distribution of support and MLI obtained in presented model in good agreement with experimental data. It is expected to reduce the overall heat leakage of cryogenic transfer lines further by optimizing structure of support based on the above thermal model and test platform in this paper.

Fuel Combustion and Engine Performance | Transportation Research | NREL

Science.gov Websites

. Through modeling, simulation, and experimental validation, researchers examine what happens to fuel inside combustion and engine research activities include: Developing experimental and simulation research platforms develop and refine accurate, efficient kinetic mechanisms for fuel ignition Investigating low-speed pre

Capsule modeling of high foot implosion experiments on the National Ignition Facility

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

Clark, D. S.; Kritcher, A. L.; Milovich, J. L.

This study summarizes the results of detailed, capsule-only simulations of a set of high foot implosion experiments conducted on the National Ignition Facility (NIF). These experiments span a range of ablator thicknesses, laser powers, and laser energies, and modeling these experiments as a set is important to assess whether the simulation model can reproduce the trends seen experimentally as the implosion parameters were varied. Two-dimensional (2D) simulations have been run including a number of effects—both nominal and off-nominal—such as hohlraum radiation asymmetries, surface roughness, the capsule support tent, and hot electron pre-heat. Selected three-dimensional simulations have also been run tomore » assess the validity of the 2D axisymmetric approximation. As a composite, these simulations represent the current state of understanding of NIF high foot implosion performance using the best and most detailed computational model available. While the most detailed simulations show approximate agreement with the experimental data, it is evident that the model remains incomplete and further refinements are needed. Nevertheless, avenues for improved performance are clearly indicated.« less

Capsule modeling of high foot implosion experiments on the National Ignition Facility

DOE PAGES

Clark, D. S.; Kritcher, A. L.; Milovich, J. L.; ...

2017-03-21

This study summarizes the results of detailed, capsule-only simulations of a set of high foot implosion experiments conducted on the National Ignition Facility (NIF). These experiments span a range of ablator thicknesses, laser powers, and laser energies, and modeling these experiments as a set is important to assess whether the simulation model can reproduce the trends seen experimentally as the implosion parameters were varied. Two-dimensional (2D) simulations have been run including a number of effects—both nominal and off-nominal—such as hohlraum radiation asymmetries, surface roughness, the capsule support tent, and hot electron pre-heat. Selected three-dimensional simulations have also been run tomore » assess the validity of the 2D axisymmetric approximation. As a composite, these simulations represent the current state of understanding of NIF high foot implosion performance using the best and most detailed computational model available. While the most detailed simulations show approximate agreement with the experimental data, it is evident that the model remains incomplete and further refinements are needed. Nevertheless, avenues for improved performance are clearly indicated.« less

Logistics of Trainsets Creation with the Use of Simulation Models

NASA Astrophysics Data System (ADS)

Sedláček, Michal; Pavelka, Hynek

2016-12-01

This paper focuses on rail transport in following the train formation operational processes problem using computer simulations. The problem has been solved using SIMUL8 and applied to specific train formation station in the Czech Republic. The paper describes a proposal simulation model of the train formation work. Experimental modeling with an assessment of achievements and design solution for optimizing of the train formation operational process is also presented.

Validation of Potential Models for Li2O in Classical Molecular Dynamics Simulation

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

Oda, Takuji; Oya, Yasuhisa; Tanaka, Satoru

2007-08-01

Four Buckingham-type pairwise potential models for Li2O were assessed by molecular static and dynamics simulations. In the static simulation, all models afforded acceptable agreement with experimental values and ab initio calculation results for the crystalline properties. Moreover, the superionic phase transition was realized in the dynamics simulation. However, the Li diffusivity and the lattice expansion were not adequately reproduced at the same time by any model. When using these models in future radiation simulation, these features should be taken into account, in order to reduce the model dependency of the results.

Expanded modeling of temperature-dependent dielectric properties for microwave thermal ablation

PubMed Central

Ji, Zhen; Brace, Christopher L

2011-01-01

Microwaves are a promising source for thermal tumor ablation due to their ability to rapidly heat dispersive biological tissues, often to temperatures in excess of 100 °C. At these high temperatures, tissue dielectric properties change rapidly and, thus, so do the characteristics of energy delivery. Precise knowledge of how tissue dielectric properties change during microwave heating promises to facilitate more accurate simulation of device performance and helps optimize device geometry and energy delivery parameters. In this study, we measured the dielectric properties of liver tissue during high-temperature microwave heating. The resulting data were compiled into either a sigmoidal function of temperature or an integration of the time–temperature curve for both relative permittivity and effective conductivity. Coupled electromagnetic–thermal simulations of heating produced by a single monopole antenna using the new models were then compared to simulations with existing linear and static models, and experimental temperatures in liver tissue. The new sigmoidal temperature-dependent model more accurately predicted experimental temperatures when compared to temperature–time integrated or existing models. The mean percent differences between simulated and experimental temperatures over all times were 4.2% for sigmoidal, 10.1% for temperature–time integration, 27.0% for linear and 32.8% for static models at the antenna input power of 50 W. Correcting for tissue contraction improved agreement for powers up to 75 W. The sigmoidal model also predicted substantial changes in heating pattern due to dehydration. We can conclude from these studies that a sigmoidal model of tissue dielectric properties improves prediction of experimental results. More work is needed to refine and generalize this model. PMID:21791728

A comparative study of inelastic scattering models at energy levels ranging from 0.5 keV to 10 keV

NASA Astrophysics Data System (ADS)

Hu, Chia-Yu; Lin, Chun-Hung

2017-03-01

Six models, including a single-scattering model, four hybrid models, and one dielectric function model, were evaluated using Monte Carlo simulations for aluminum and copper at incident beam energies ranging from 0.5 keV to 10 keV. The inelastic mean free path, mean energy loss per unit path length, and backscattering coefficients obtained by these models are compared and discussed to understand the merits of the various models. ANOVA (analysis of variance) statistical models were used to quantify the effects of inelastic cross section and energy loss models on the basis of the simulated results deviation from the experimental data for the inelastic mean free path, the mean energy loss per unit path length, and the backscattering coefficient, as well as their correlations. This work in this study is believed to be the first application of ANOVA models towards evaluating inelastic electron beam scattering models. This approach is an improvement over the traditional approach which involves only visual estimation of the difference between the experimental data and simulated results. The data suggests that the optimization of the effective electron number per atom, binding energy, and cut-off energy of an inelastic model for different materials at different beam energies is more important than the selection of inelastic models for Monte Carlo electron scattering simulation. During the simulations, parameters in the equations should be tuned according to different materials for different beam energies rather than merely employing default parameters for an arbitrary material. Energy loss models and cross-section formulas are not the main factors influencing energy loss. Comparison of the deviation of the simulated results from the experimental data shows a significant correlation (p < 0.05) between the backscattering coefficient and energy loss per unit path length. The inclusion of backscattering electrons generated by both primary and secondary electrons for backscattering coefficient simulation is recommended for elements with high atomic numbers. In hybrid models, introducing the inner shell ionization model improves the accuracy of simulated results.

Turbulent flow in a 180 deg bend: Modeling and computations

NASA Technical Reports Server (NTRS)

Kaul, Upender K.

1989-01-01

A low Reynolds number k-epsilon turbulence model was presented which yields accurate predictions of the kinetic energy near the wall. The model is validated with the experimental channel flow data of Kreplin and Eckelmann. The predictions are also compared with earlier results from direct simulation of turbulent channel flow. The model is especially useful for internal flows where the inflow boundary condition of epsilon is not easily prescribed. The model partly derives from some observations based on earlier direct simulation results of near-wall turbulence. The low Reynolds number turbulence model together with an existing curvature correction appropriate to spinning cylinder flows was used to simulate the flow in a U-bend with the same radius of curvature as the Space Shuttle Main Engine (SSME) Turn-Around Duct (TAD). The present computations indicate a space varying curvature correction parameter as opposed to a constant parameter as used in the spinning cylinder flows. Comparison with limited available experimental data is made. The comparison is favorable, but detailed experimental data is needed to further improve the curvature model.

Selective adsorption of volatile organic compounds in micropore aluminum methylphosphonate-alpha: a combined molecular simulation-experimental approach.

PubMed

Herdes, Carmelo; Valente, Anabela; Lin, Zhi; Rocha, João; Coutinho, João A P; Medina, Francisco; Vega, Lourdes F

2007-06-19

Results concerning the adsorption capacity of aluminum methylphosphonate polymorph alpha (AlMePO-alpha) for pure ethyl chloride and vinyl chloride by measured individual adsorption isotherms of these pure compounds are presented and discussed here. The experimental data supports the idea of using these materials as selective adsorbents for separating these compounds in mixtures. To explore this possibility further, we have performed grand canonical Monte Carlo simulations using a recently proposed molecular simulation framework for gas adsorption on AlMePO, and the results are presented here. The molecular model of the material was used in a purely transferable manner from a previous work (Herdes, C.; Lin, Z.; Valente, A.; Coutinho, J. A. P.; Vega, L. F. Langmuir 2006, 22, 3097). Regarding the molecular model of the fluids, an existing model for ethyl chloride was improved to capture the experimental dipole value better; an equivalent force field for the vinyl chloride molecule was also developed for simulation purposes. Simulations of the pure compounds were found to be in excellent agreement with the measured experimental data at the three studied temperatures. Simulations were also carried out in a purely predictive manner as a tool to find the optimal conditions for the selective adsorption of these compounds prior experimental measurements are carried out. The influence of the temperature and the bulk composition on the adsorption selectivity was also investigated. Results support the use of AlMePO-alpha as an appropriate adsorbent for the purification process of vinyl chloride, upholding the selective adsorption of ethyl chloride.

Predicting variation in subject thermal response during transcranial magnetic resonance guided focused ultrasound surgery: Comparison in seventeen subject datasets.

PubMed

Vyas, Urvi; Ghanouni, Pejman; Halpern, Casey H; Elias, Jeff; Pauly, Kim Butts

2016-09-01

In transcranial magnetic resonance-guided focused ultrasound (tcMRgFUS) treatments, the acoustic and spatial heterogeneity of the skull cause reflection, absorption, and scattering of the acoustic beams. These effects depend on skull-specific parameters and can lead to patient-specific thermal responses to the same transducer power. In this work, the authors develop a simulation tool to help predict these different experimental responses using 3D heterogeneous tissue models based on the subject CT images. The authors then validate and compare the predicted skull efficiencies to an experimental metric based on the subject thermal responses during tcMRgFUS treatments in a dataset of seventeen human subjects. Seventeen human head CT scans were used to create tissue acoustic models, simulating the effects of reflection, absorption, and scattering of the acoustic beam as it propagates through a heterogeneous skull. The hybrid angular spectrum technique was used to model the acoustic beam propagation of the InSightec ExAblate 4000 head transducer for each subject, yielding maps of the specific absorption rate (SAR). The simulation assumed the transducer was geometrically focused to the thalamus of each subject, and the focal SAR at the target was used as a measure of the simulated skull efficiency. Experimental skull efficiency for each subject was calculated using the thermal temperature maps from the tcMRgFUS treatments. Axial temperature images (with no artifacts) were reconstructed with a single baseline, corrected using a referenceless algorithm. The experimental skull efficiency was calculated by dividing the reconstructed temperature rise 8.8 s after sonication by the applied acoustic power. The simulated skull efficiency using individual-specific heterogeneous models predicts well (R(2) = 0.84) the experimental energy efficiency. This paper presents a simulation model to predict the variation in thermal responses measured in clinical ctMRGFYS treatments while being computationally feasible.

Predicting variation in subject thermal response during transcranial magnetic resonance guided focused ultrasound surgery: Comparison in seventeen subject datasets

PubMed Central

Vyas, Urvi; Ghanouni, Pejman; Halpern, Casey H.; Elias, Jeff; Pauly, Kim Butts

2016-01-01

Purpose: In transcranial magnetic resonance-guided focused ultrasound (tcMRgFUS) treatments, the acoustic and spatial heterogeneity of the skull cause reflection, absorption, and scattering of the acoustic beams. These effects depend on skull-specific parameters and can lead to patient-specific thermal responses to the same transducer power. In this work, the authors develop a simulation tool to help predict these different experimental responses using 3D heterogeneous tissue models based on the subject CT images. The authors then validate and compare the predicted skull efficiencies to an experimental metric based on the subject thermal responses during tcMRgFUS treatments in a dataset of seventeen human subjects. Methods: Seventeen human head CT scans were used to create tissue acoustic models, simulating the effects of reflection, absorption, and scattering of the acoustic beam as it propagates through a heterogeneous skull. The hybrid angular spectrum technique was used to model the acoustic beam propagation of the InSightec ExAblate 4000 head transducer for each subject, yielding maps of the specific absorption rate (SAR). The simulation assumed the transducer was geometrically focused to the thalamus of each subject, and the focal SAR at the target was used as a measure of the simulated skull efficiency. Experimental skull efficiency for each subject was calculated using the thermal temperature maps from the tcMRgFUS treatments. Axial temperature images (with no artifacts) were reconstructed with a single baseline, corrected using a referenceless algorithm. The experimental skull efficiency was calculated by dividing the reconstructed temperature rise 8.8 s after sonication by the applied acoustic power. Results: The simulated skull efficiency using individual-specific heterogeneous models predicts well (R2 = 0.84) the experimental energy efficiency. Conclusions: This paper presents a simulation model to predict the variation in thermal responses measured in clinical ctMRGFYS treatments while being computationally feasible. PMID:27587047

Predicting variation in subject thermal response during transcranial magnetic resonance guided focused ultrasound surgery: Comparison in seventeen subject datasets

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

Vyas, Urvi, E-mail: urvi.vyas@gmail.com; Ghanouni,

Purpose: In transcranial magnetic resonance-guided focused ultrasound (tcMRgFUS) treatments, the acoustic and spatial heterogeneity of the skull cause reflection, absorption, and scattering of the acoustic beams. These effects depend on skull-specific parameters and can lead to patient-specific thermal responses to the same transducer power. In this work, the authors develop a simulation tool to help predict these different experimental responses using 3D heterogeneous tissue models based on the subject CT images. The authors then validate and compare the predicted skull efficiencies to an experimental metric based on the subject thermal responses during tcMRgFUS treatments in a dataset of seventeen humanmore » subjects. Methods: Seventeen human head CT scans were used to create tissue acoustic models, simulating the effects of reflection, absorption, and scattering of the acoustic beam as it propagates through a heterogeneous skull. The hybrid angular spectrum technique was used to model the acoustic beam propagation of the InSightec ExAblate 4000 head transducer for each subject, yielding maps of the specific absorption rate (SAR). The simulation assumed the transducer was geometrically focused to the thalamus of each subject, and the focal SAR at the target was used as a measure of the simulated skull efficiency. Experimental skull efficiency for each subject was calculated using the thermal temperature maps from the tcMRgFUS treatments. Axial temperature images (with no artifacts) were reconstructed with a single baseline, corrected using a referenceless algorithm. The experimental skull efficiency was calculated by dividing the reconstructed temperature rise 8.8 s after sonication by the applied acoustic power. Results: The simulated skull efficiency using individual-specific heterogeneous models predicts well (R{sup 2} = 0.84) the experimental energy efficiency. Conclusions: This paper presents a simulation model to predict the variation in thermal responses measured in clinical ctMRGFYS treatments while being computationally feasible.« less

Experimental verification of a thermal equivalent circuit dynamic model on an extended range electric vehicle battery pack

NASA Astrophysics Data System (ADS)

Ramotar, Lokendra; Rohrauer, Greg L.; Filion, Ryan; MacDonald, Kathryn

2017-03-01

The development of a dynamic thermal battery model for hybrid and electric vehicles is realized. A thermal equivalent circuit model is created which aims to capture and understand the heat propagation from the cells through the entire pack and to the environment using a production vehicle battery pack for model validation. The inclusion of production hardware and the liquid battery thermal management system components into the model considers physical and geometric properties to calculate thermal resistances of components (conduction, convection and radiation) along with their associated heat capacity. Various heat sources/sinks comprise the remaining model elements. Analog equivalent circuit simulations using PSpice are compared to experimental results to validate internal temperature nodes and heat rates measured through various elements, which are then employed to refine the model further. Agreement with experimental results indicates the proposed method allows for a comprehensive real-time battery pack analysis at little computational expense when compared to other types of computer based simulations. Elevated road and ambient conditions in Mesa, Arizona are simulated on a parked vehicle with varying quiescent cooling rates to examine the effect on the diurnal battery temperature for longer term static exposure. A typical daily driving schedule is also simulated and examined.

Digital simulation and experimental evaluation of the CO2-H(plus) control of pulmonary ventilation

NASA Technical Reports Server (NTRS)

Milhorn, H. T., Jr.; Reynolds, W. J.

1972-01-01

Previous models of the CO2-H(+) control of ventilation have been concerned either with the response to CO2 inhalation, or the response to perfusion of the surface of the medulla with mock cerebrospinal fluid having a high P sub CO2. Simulation of both responses with the same model has not been attempted. The purpose of the present study was two fold; first to develop such a model and, second, to obtain experimental data from human subjects for both developing this model and for evaluating this and future models.

Modeling and simulation of the flow field in the electrolysis of magnesium

NASA Astrophysics Data System (ADS)

Sun, Ze; Zhang, He-Nan; Li, Ping; Li, Bing; Lu, Gui-Min; Yu, Jian-Guo

2009-05-01

A three-dimensional mathematical model was developed to describe the flow field in the electrolysis cell of the molten magnesium salt, where the model of the three-phase flow was coupled with the electric field force. The mathematical model was validated against the experimental data of the cold model in the electrolysis cell of zinc sulfate with 2 mol/L concentration. The flow field of the cold model was measured by particle image velocimetry, a non-intrusive visualization experimental technique. The flow field in the advanced diaphragmless electrolytic cell of the molten magnesium salt was investigated by the simulations with the mathematical model.

Progress Towards Fuselage Drag Reduction via Active Flow Control: A Combined CFD and Experimental Effort

NASA Technical Reports Server (NTRS)

Schaeffler, Norman W.; Allan, Brian G.; Lienard, Caroline; LePape, Arnaud

2010-01-01

A combined computational and experimental effort has been undertaken to study fuselage drag reduction on a generic, non-proprietary rotorcraft fuselage by the application of active ow control. Fuselage drag reduction is an area of research interest to both the United States and France and this area is being worked collaboratively as a task under the United States/France Memorandum of Agreement on Helicopter Aeromechanics. In the first half of this task, emphasis is placed on the US generic fuselage, the ROBIN-mod7, with the experimental work being conducted on the US side and complementary US and French CFD analysis of the baseline and controlled cases. Fuselage simulations were made using Reynolds-averaged Navier-Stokes ow solvers and with multiple turbulence models. Comparisons were made to experimental data for numerical simulations of the isolated fuselage and for the fuselage as installed in the tunnel, which includes modeling of the tunnel contraction, walls, and support fairing. The numerical simulations show that comparisons to the experimental data are in good agreement when the tunnel and model support are included. The isolated fuselage simulations compare well to each other, however, there is a positive shift in the centerline pressure when compared to the experiment. The computed flow separation locations on the rear ramp region had only slight differences with and without the tunnel walls and model support. For the simulations, the flow control slots were placed at several locations around the flow separation lines as a series of eight slots that formed a nearly continuous U-shape. Results from the numerical simulations resulted in an estimated 35% fuselage drag reduction from a steady blowing flow control configuration and a 26% drag reduction for unsteady zero-net-mass flow control configuration. Simulations with steady blowing show a delayed flow separation at the rear ramp of the fuselage that increases the surface pressure acting on the ramp, thus decreasing the overall fuselage pressure drag.

SiC-VJFETs power switching devices: an improved model and parameter optimization technique

NASA Astrophysics Data System (ADS)

Ben Salah, T.; Lahbib, Y.; Morel, H.

2009-12-01

Silicon carbide junction field effect transistor (SiC-JFETs) is a mature power switch newly applied in several industrial applications. SiC-JFETs are often simulated by Spice model in order to predict their electrical behaviour. Although such a model provides sufficient accuracy for some applications, this paper shows that it presents serious shortcomings in terms of the neglect of the body diode model, among many others in circuit model topology. Simulation correction is then mandatory and a new model should be proposed. Moreover, this paper gives an enhanced model based on experimental dc and ac data. New devices are added to the conventional circuit model giving accurate static and dynamic behaviour, an effect not accounted in the Spice model. The improved model is implemented into VHDL-AMS language and steady-state dynamic and transient responses are simulated for many SiC-VJFETs samples. Very simple and reliable optimization algorithm based on the optimization of a cost function is proposed to extract the JFET model parameters. The obtained parameters are verified by comparing errors between simulations results and experimental data.

Mathematical Capture of Human Crowd Behavioral Data for Computational Model Building, Verification, and Validation

DTIC Science & Technology

2011-03-21

throughout the experimental runs. Reliable and validated measures of anxiety ( Spielberger , 1983), as well as custom-constructed questionnaires about...Crowd modeling and simulation technologies. Transactions on modeling and computer simulation, 20(4). Spielberger , C. D. (1983

Mapping the function of neuronal ion channels in model and experiment

PubMed Central

Podlaski, William F; Seeholzer, Alexander; Groschner, Lukas N; Miesenböck, Gero; Ranjan, Rajnish; Vogels, Tim P

2017-01-01

Ion channel models are the building blocks of computational neuron models. Their biological fidelity is therefore crucial for the interpretation of simulations. However, the number of published models, and the lack of standardization, make the comparison of ion channel models with one another and with experimental data difficult. Here, we present a framework for the automated large-scale classification of ion channel models. Using annotated metadata and responses to a set of voltage-clamp protocols, we assigned 2378 models of voltage- and calcium-gated ion channels coded in NEURON to 211 clusters. The IonChannelGenealogy (ICGenealogy) web interface provides an interactive resource for the categorization of new and existing models and experimental recordings. It enables quantitative comparisons of simulated and/or measured ion channel kinetics, and facilitates field-wide standardization of experimentally-constrained modeling. DOI: http://dx.doi.org/10.7554/eLife.22152.001 PMID:28267430

Computational Investigation of In-Flight Temperature in Shaped Charge Jets and Explosively Formed Penetrators

NASA Astrophysics Data System (ADS)

Sable, Peter; Helminiak, Nathaniel; Harstad, Eric; Gullerud, Arne; Hollenshead, Jeromy; Hertel, Eugene; Sandia National Laboratories Collaboration; Marquette University Collaboration

2017-06-01

With the increasing use of hydrocodes in modeling and system design, experimental benchmarking of software has never been more important. While this has been a large area of focus since the inception of computational design, comparisons with temperature data are sparse due to experimental limitations. A novel temperature measurement technique, magnetic diffusion analysis, has enabled the acquisition of in-flight temperature measurements of hyper velocity projectiles. Using this, an AC-14 bare shaped charge and an LX-14 EFP, both with copper linings, were simulated using CTH to benchmark temperature against experimental results. Particular attention was given to the slug temperature profiles after separation, and the effect of varying equation-of-state and strength models. Simulations are in agreement with experimental, attaining better than 2% error between observed shaped charge temperatures. This varied notably depending on the strength model used. Similar observations were made simulating the EFP case, with a minimum 4% deviation. Jet structures compare well with radiographic images and are consistent with ALEGRA simulations previously conducted. Sandia is a multiprogram laboratory operated by Sandia Corporation, a Lockheed Martin Company, for the United States Department of Energy's National Nuclear Security Administration under contract DE-AC04-94AL85000.

Choice of Tuning Parameters on 3D IC Engine Simulations Using G-Equation

DOE PAGES

Liu, Jinlong; Szybist, James; Dumitrescu, Cosmin

2018-04-03

3D CFD spark-ignition IC engine simulations are extremely complex for the regular user. Truly-predictive CFD simulations for the turbulent flame combustion that solve fully coupled transport/chemistry equations may require large computational capabilities unavailable to regular CFD users. A solution is to use a simpler phenomenological model such as the G-equation that decouples transport/chemistry result. Such simulation can still provide acceptable and faster results at the expense of predictive capabilities. While the G-equation is well understood within the experienced modeling community, the goal of this paper is to document some of them for a novice or less experienced CFD user whomore » may not be aware that phenomenological models of turbulent flame combustion usually require heavy tuning and calibration from the user to mimic experimental observations. This study used ANSYS® Forte, Version 17.2, and the built-in G-equation model, to investigate two tuning constants that influence flame propagation in 3D CFD SI engine simulations: the stretch factor coefficient, Cms and the flame development coefficient, Cm2. After identifying several Cm2-Cms pairs that matched experimental data at one operating conditions, simulation results showed that engine models that used different Cm2-Cms sets predicted similar combustion performance, when the spark timing, engine load, and engine speed were changed from the operating condition used to validate the CFD simulation. A dramatic shift was observed when engine speed was doubled, which suggested that the flame stretch coefficient, Cms, had a much larger influence at higher engine speeds compared to the flame development coefficient, Cm2. Therefore, the Cm2-Cms sets that predicted a higher turbulent flame under higher in-cylinder pressure and temperature increased the peak pressure and efficiency. This suggest that the choice of the Cm2-Cms will affect the G-equation-based simulation accuracy when engine speed increases from the one used to validate the model. As a result, for the less-experienced CFD user and in the absence of enough experimental data that would help retune the tuning parameters at various operating conditions, the purpose of a good G-equation-based 3D engine simulation is to guide and/or complement experimental investigations, not the other way around. Only a truly-predictive simulation that fully couples the turbulence/chemistry equations can help reduce the amount of experimental work.« less

Choice of Tuning Parameters on 3D IC Engine Simulations Using G-Equation

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

Liu, Jinlong; Szybist, James; Dumitrescu, Cosmin

3D CFD spark-ignition IC engine simulations are extremely complex for the regular user. Truly-predictive CFD simulations for the turbulent flame combustion that solve fully coupled transport/chemistry equations may require large computational capabilities unavailable to regular CFD users. A solution is to use a simpler phenomenological model such as the G-equation that decouples transport/chemistry result. Such simulation can still provide acceptable and faster results at the expense of predictive capabilities. While the G-equation is well understood within the experienced modeling community, the goal of this paper is to document some of them for a novice or less experienced CFD user whomore » may not be aware that phenomenological models of turbulent flame combustion usually require heavy tuning and calibration from the user to mimic experimental observations. This study used ANSYS® Forte, Version 17.2, and the built-in G-equation model, to investigate two tuning constants that influence flame propagation in 3D CFD SI engine simulations: the stretch factor coefficient, Cms and the flame development coefficient, Cm2. After identifying several Cm2-Cms pairs that matched experimental data at one operating conditions, simulation results showed that engine models that used different Cm2-Cms sets predicted similar combustion performance, when the spark timing, engine load, and engine speed were changed from the operating condition used to validate the CFD simulation. A dramatic shift was observed when engine speed was doubled, which suggested that the flame stretch coefficient, Cms, had a much larger influence at higher engine speeds compared to the flame development coefficient, Cm2. Therefore, the Cm2-Cms sets that predicted a higher turbulent flame under higher in-cylinder pressure and temperature increased the peak pressure and efficiency. This suggest that the choice of the Cm2-Cms will affect the G-equation-based simulation accuracy when engine speed increases from the one used to validate the model. As a result, for the less-experienced CFD user and in the absence of enough experimental data that would help retune the tuning parameters at various operating conditions, the purpose of a good G-equation-based 3D engine simulation is to guide and/or complement experimental investigations, not the other way around. Only a truly-predictive simulation that fully couples the turbulence/chemistry equations can help reduce the amount of experimental work.« less

F-14 modeling study

NASA Technical Reports Server (NTRS)

Levison, William H.

1988-01-01

This study explored application of a closed loop pilot/simulator model to the analysis of some simulator fidelity issues. The model was applied to two data bases: (1) a NASA ground based simulation of an air-to-air tracking task in which nonvisual cueing devices were explored, and (2) a ground based and inflight study performed by the Calspan Corporation to explore the effects of simulator delay on attitude tracking performance. The model predicted the major performance trends obtained in both studies. A combined analytical and experimental procedure for exploring simulator fidelity issues is outlined.

PAB3D: Its History in the Use of Turbulence Models in the Simulation of Jet and Nozzle Flows

NASA Technical Reports Server (NTRS)

Abdol-Hamid, Khaled S.; Pao, S. Paul; Hunter, Craig A.; Deere, Karen A.; Massey, Steven J.; Elmiligui, Alaa

2006-01-01

This is a review paper for PAB3D s history in the implementation of turbulence models for simulating jet and nozzle flows. We describe different turbulence models used in the simulation of subsonic and supersonic jet and nozzle flows. The time-averaged simulations use modified linear or nonlinear two-equation models to account for supersonic flow as well as high temperature mixing. Two multiscale-type turbulence models are used for unsteady flow simulations. These models require modifications to the Reynolds Averaged Navier-Stokes (RANS) equations. The first scheme is a hybrid RANS/LES model utilizing the two-equation (k-epsilon) model with a RANS/LES transition function, dependent on grid spacing and the computed turbulence length scale. The second scheme is a modified version of the partially averaged Navier-Stokes (PANS) formulation. All of these models are implemented in the three-dimensional Navier-Stokes code PAB3D. This paper discusses computational methods, code implementation, computed results for a wide range of nozzle configurations at various operating conditions, and comparisons with available experimental data. Very good agreement is shown between the numerical solutions and available experimental data over a wide range of operating conditions.

Modeling the electrophoretic separation of short biological molecules in nanofluidic devices

NASA Astrophysics Data System (ADS)

Fayad, Ghassan; Hadjiconstantinou, Nicolas

2010-11-01

Via comparisons with Brownian Dynamics simulations of the worm-like-chain and rigid-rod models, and the experimental results of Fu et al. [Phys. Rev. Lett., 97, 018103 (2006)], we demonstrate that, for the purposes of low-to-medium field electrophoretic separation in periodic nanofilter arrays, sufficiently short biomolecules can be modeled as point particles, with their orientational degrees of freedom accounted for using partition coefficients. This observation is used in the present work to build a particularly simple and efficient Brownian Dynamics simulation method. Particular attention is paid to the model's ability to quantitatively capture experimental results using realistic values of all physical parameters. A variance-reduction method is developed for efficiently simulating arbitrarily small forcing electric fields.

Validation of a 2.5D CFD model for cylindrical gas–solids fluidized beds

DOE PAGES

Li, Tingwen

2015-09-25

The 2.5D model recently proposed by Li et al. (Li, T., Benyahia, S., Dietiker, J., Musser, J., and Sun, X., 2015. A 2.5D computational method to simulate cylindrical fluidized beds. Chemical Engineering Science. 123, 236-246.) was validated for two cylindrical gas-solids bubbling fluidized bed systems. Different types of particles tested under various flow conditions were simulated using the traditional 2D model and the 2.5D model. Detailed comparison against the experimental measurements on solid concentration and velocity were conducted. Comparing to the traditional Cartesian 2D flow simulation, the 2.5D model yielded better agreement with the experimental data especially for the solidmore » velocity prediction in the column wall region.« less

Study report on interfacing major physiological subsystem models: An approach for developing a whole-body algorithm

NASA Technical Reports Server (NTRS)

Fitzjerrell, D. G.; Grounds, D. J.; Leonard, J. I.

1975-01-01

Using a whole body algorithm simulation model, a wide variety and large number of stresses as well as different stress levels were simulated including environmental disturbances, metabolic changes, and special experimental situations. Simulation of short term stresses resulted in simultaneous and integrated responses from the cardiovascular, respiratory, and thermoregulatory subsystems and the accuracy of a large number of responding variables was verified. The capability of simulating significantly longer responses was demonstrated by validating a four week bed rest study. In this case, the long term subsystem model was found to reproduce many experimentally observed changes in circulatory dynamics, body fluid-electrolyte regulation, and renal function. The value of systems analysis and the selected design approach for developing a whole body algorithm was demonstrated.

Reconstructing the regulatory network controlling commitment and sporulation in Physarum polycephalum based on hierarchical Petri Net modelling and simulation.

PubMed

Marwan, Wolfgang; Sujatha, Arumugam; Starostzik, Christine

2005-10-21

We reconstruct the regulatory network controlling commitment and sporulation of Physarum polycephalum from experimental results using a hierarchical Petri Net-based modelling and simulation framework. The stochastic Petri Net consistently describes the structure and simulates the dynamics of the molecular network as analysed by genetic, biochemical and physiological experiments within a single coherent model. The Petri Net then is extended to simulate time-resolved somatic complementation experiments performed by mixing the cytoplasms of mutants altered in the sporulation response, to systematically explore the network structure and to probe its dynamics. This reverse engineering approach presumably can be employed to explore other molecular or genetic signalling systems where the activity of genes or their products can be experimentally controlled in a time-resolved manner.

A simulation of cross-country skiing on varying terrain by using a mathematical power balance model

PubMed Central

Moxnes, John F; Sandbakk, Øyvind; Hausken, Kjell

2013-01-01

The current study simulated cross-country skiing on varying terrain by using a power balance model. By applying the hypothetical inductive deductive method, we compared the simulated position along the track with actual skiing on snow, and calculated the theoretical effect of friction and air drag on skiing performance. As input values in the model, air drag and friction were estimated from the literature, whereas the model included relationships between heart rate, metabolic rate, and work rate based on the treadmill roller-ski testing of an elite cross-country skier. We verified this procedure by testing four models of metabolic rate against experimental data on the treadmill. The experimental data corresponded well with the simulations, with the best fit when work rate was increased on uphill and decreased on downhill terrain. The simulations predicted that skiing time increases by 3%–4% when either friction or air drag increases by 10%. In conclusion, the power balance model was found to be a useful tool for predicting how various factors influence racing performance in cross-country skiing. PMID:24379718

A simulation of cross-country skiing on varying terrain by using a mathematical power balance model.

PubMed

Moxnes, John F; Sandbakk, Oyvind; Hausken, Kjell

2013-01-01

The current study simulated cross-country skiing on varying terrain by using a power balance model. By applying the hypothetical inductive deductive method, we compared the simulated position along the track with actual skiing on snow, and calculated the theoretical effect of friction and air drag on skiing performance. As input values in the model, air drag and friction were estimated from the literature, whereas the model included relationships between heart rate, metabolic rate, and work rate based on the treadmill roller-ski testing of an elite cross-country skier. We verified this procedure by testing four models of metabolic rate against experimental data on the treadmill. The experimental data corresponded well with the simulations, with the best fit when work rate was increased on uphill and decreased on downhill terrain. The simulations predicted that skiing time increases by 3%-4% when either friction or air drag increases by 10%. In conclusion, the power balance model was found to be a useful tool for predicting how various factors influence racing performance in cross-country skiing.

High fidelity studies of exploding foil initiator bridges, Part 3: ALEGRA MHD simulations

NASA Astrophysics Data System (ADS)

Neal, William; Garasi, Christopher

2017-01-01

Simulations of high voltage detonators, such as Exploding Bridgewire (EBW) and Exploding Foil Initiators (EFI), have historically been simple, often empirical, one-dimensional models capable of predicting parameters such as current, voltage, and in the case of EFIs, flyer velocity. Experimental methods have correspondingly generally been limited to the same parameters. With the advent of complex, first principles magnetohydrodynamic codes such as ALEGRA and ALE-MHD, it is now possible to simulate these components in three dimensions, and predict a much greater range of parameters than before. A significant improvement in experimental capability was therefore required to ensure these simulations could be adequately verified. In this third paper of a three part study, the experimental results presented in part 2 are compared against 3-dimensional MHD simulations. This improved experimental capability, along with advanced simulations, offer an opportunity to gain a greater understanding of the processes behind the functioning of EBW and EFI detonators.

Nonlinear System Identification for Aeroelastic Systems with Application to Experimental Data

NASA Technical Reports Server (NTRS)

Kukreja, Sunil L.

2008-01-01

Representation and identification of a nonlinear aeroelastic pitch-plunge system as a model of the Nonlinear AutoRegressive, Moving Average eXogenous (NARMAX) class is considered. A nonlinear difference equation describing this aircraft model is derived theoretically and shown to be of the NARMAX form. Identification methods for NARMAX models are applied to aeroelastic dynamics and its properties demonstrated via continuous-time simulations of experimental conditions. Simulation results show that (1) the outputs of the NARMAX model closely match those generated using continuous-time methods, and (2) NARMAX identification methods applied to aeroelastic dynamics provide accurate discrete-time parameter estimates. Application of NARMAX identification to experimental pitch-plunge dynamics data gives a high percent fit for cross-validated data.

[Animal experimentation, computer simulation and surgical research].

PubMed

Carpentier, Alain

2009-11-01

We live in a digital world In medicine, computers are providing new tools for data collection, imaging, and treatment. During research and development of complex technologies and devices such as artificial hearts, computer simulation can provide more reliable information than experimentation on large animals. In these specific settings, animal experimentation should serve more to validate computer models of complex devices than to demonstrate their reliability.

Bayesian Action-Perception loop modeling: Application to trajectory generation and recognition using internal motor simulation

NASA Astrophysics Data System (ADS)

Gilet, Estelle; Diard, Julien; Palluel-Germain, Richard; Bessière, Pierre

2011-03-01

This paper is about modeling perception-action loops and, more precisely, the study of the influence of motor knowledge during perception tasks. We use the Bayesian Action-Perception (BAP) model, which deals with the sensorimotor loop involved in reading and writing cursive isolated letters and includes an internal simulation of movement loop. By using this probabilistic model we simulate letter recognition, both with and without internal motor simulation. Comparison of their performance yields an experimental prediction, which we set forth.

Aerosols in healthy and emphysematous in silico pulmonary acinar rat models.

PubMed

Oakes, Jessica M; Hofemeier, Philipp; Vignon-Clementel, Irene E; Sznitman, Josué

2016-07-26

There has been relatively little attention given on predicting particle deposition in the respiratory zone of the diseased lungs despite the high prevalence of chronic obstructive pulmonary disease (COPD). Increased alveolar volume and deterioration of alveolar septum, characteristic of emphysema, may alter the amount and location of particle deposition compared to healthy lungs, which is particularly important for toxic or therapeutic aerosols. In an attempt to shed new light on aerosol transport and deposition in emphysematous lungs, we performed numerical simulations in models of healthy and emphysematous acini motivated by recent experimental lobar-level data in rats (Oakes et al., 2014a). Compared to healthy acinar structures, models of emphysematous subacini were created by removing inter-septal alveolar walls and enhancing the alveolar volume in either a homogeneous or heterogeneous fashion. Flow waveforms and particle properties were implemented to match the experimental data. The occurrence of flow separation and recirculation within alveolar cavities was found in proximal generations of the healthy zones, in contrast to the radial-like airflows observed in the diseased regions. In agreement with experimental data, simulations point to particle deposition concentrations that are more heterogeneously distributed in the diseased models compared with the healthy one. Yet, simulations predicted less deposition in the emphysematous models in contrast to some experimental studies, a likely consequence due to the shallower penetration depths and modified flow topologies in disease compared to health. These spatial-temporal particle transport simulations provide new insight on deposition in the emphysematous acini and shed light on experimental observations. Copyright © 2015 Elsevier Ltd. All rights reserved.

Multi-scale gyrokinetic simulations: Comparison with experiment and implications for predicting turbulence and transport

NASA Astrophysics Data System (ADS)

Howard, N. T.; Holland, C.; White, A. E.; Greenwald, M.; Candy, J.; Creely, A. J.

2016-05-01

To better understand the role of cross-scale coupling in experimental conditions, a series of multi-scale gyrokinetic simulations were performed on Alcator C-Mod, L-mode plasmas. These simulations, performed using all experimental inputs and realistic ion to electron mass ratio ((mi/me)1/2 = 60.0), simultaneously capture turbulence at the ion ( kθρs˜O (1.0 ) ) and electron-scales ( kθρe˜O (1.0 ) ). Direct comparison with experimental heat fluxes and electron profile stiffness indicates that Electron Temperature Gradient (ETG) streamers and strong cross-scale turbulence coupling likely exist in both of the experimental conditions studied. The coupling between ion and electron-scales exists in the form of energy cascades, modification of zonal flow dynamics, and the effective shearing of ETG turbulence by long wavelength, Ion Temperature Gradient (ITG) turbulence. The tightly coupled nature of ITG and ETG turbulence in these realistic plasma conditions is shown to have significant implications for the interpretation of experimental transport and fluctuations. Initial attempts are made to develop a "rule of thumb" based on linear physics, to help predict when cross-scale coupling plays an important role and to inform future modeling of experimental discharges. The details of the simulations, comparisons with experimental measurements, and implications for both modeling and experimental interpretation are discussed.

Evaluation of infiltration models in contaminated landscape.

PubMed

Sadegh Zadeh, Kouroush; Shirmohammadi, Adel; Montas, Hubert J; Felton, Gary

2007-06-01

The infiltration models of Kostiakov, Green-Ampt, and Philip (two and three terms equations) were used, calibrated, and evaluated to simulate in-situ infiltration in nine different soil types. The Osborne-Moré modified version of the Levenberg-Marquardt optimization algorithm was coupled with the experimental data obtained by the double ring infiltrometers and the infiltration equations, to estimate the model parameters. Comparison of the model outputs with the experimental data indicates that the models can successfully describe cumulative infiltration in different soil types. However, since Kostiakov's equation fails to accurately simulate the infiltration rate as time approaches infinity, Philip's two-term equation, in some cases, produces negative values for the saturated hydraulic conductivity of soils, and the Green-Ampt model uses piston flow assumptions, we suggest using Philip's three-term equation to simulate infiltration and to estimate the saturated hydraulic conductivity of soils.

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.

Experimental validation of a direct simulation by Monte Carlo molecular gas flow model

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

Shufflebotham, P.K.; Bartel, T.J.; Berney, B.

1995-07-01

The Sandia direct simulation Monte Carlo (DSMC) molecular/transition gas flow simulation code has significant potential as a computer-aided design tool for the design of vacuum systems in low pressure plasma processing equipment. The purpose of this work was to verify the accuracy of this code through direct comparison to experiment. To test the DSMC model, a fully instrumented, axisymmetric vacuum test cell was constructed, and spatially resolved pressure measurements made in N{sub 2} at flows from 50 to 500 sccm. In a ``blind`` test, the DSMC code was used to model the experimental conditions directly, and the results compared tomore » the measurements. It was found that the model predicted all the experimental findings to a high degree of accuracy. Only one modeling issue was uncovered. The axisymmetric model showed localized low pressure spots along the axis next to surfaces. Although this artifact did not significantly alter the accuracy of the results, it did add noise to the axial data. {copyright} {ital 1995} {ital American} {ital Vacuum} {ital Society}« less

Generation of Quality Pulses for Control of Qubit/Quantum Memory Spin States: Experimental and Simulation

DTIC Science & Technology

2016-09-01

magnetic and nuclear spins of an entangled ensemble or of single spins or photons . These quantum states can be controlled by resonant microwave...3 3.1 SIMULATION MODEL USING MATLAB /SIMULINK...4 3.1 SIMULATION MODEL USING MATLAB ®/SIMULINK Figure 7 presents the Simulink simulation example of I/Q modulation followed by a switch

Dependence of short and intermediate-range order on preparation in experimental and modeled pure a-Si

DOE PAGES

Holmstrom, Eero; Haberl, Bianca; Pakarinen, Olli H.; ...

2016-02-20

Variability in the short-to-intermediate range order of pure amorphous silicon prepared by different experimental and computational techniques is probed by measuring mass density, atomic coordination, bond-angle deviation, and dihedral angle deviation. It is found that there is significant variability in order parameters at these length scales in this archetypal covalently bonded, monoatomic system. This diversity strongly reflects preparation technique and thermal history in both experimental and simulated systems. Experiment and simulation do not fully quantitatively agree, partly due to differences in the way parameters are accessed. However, qualitative agreement in the trends is identified. Relaxed forms of amorphous silicon closelymore » resemble continuous random networks generated by a hybrid method of bond-switching Monte Carlo and molecular dynamics simulation. As-prepared ion implanted amorphous silicon can be adequately modeled using a structure generated from amorphization via ion bombardement using energetic recoils. Preparation methods which narrowly avoid crystallization such as experimental pressure-induced amorphization or simulated melt-quenching result in inhomogeneous structures that contain regions with significant variations in atomic ordering. Ad hoc simulated structures containing small (1 nm) diamond cubic crystal inclusions were found to possess relatively high bond-angle deviations and low dihedral angle deviations, a trend that could not be reconciled with any experimental material.« less

Kinetic Monte Carlo Simulations of Scintillation Processes in NaI(Tl)

NASA Astrophysics Data System (ADS)

Kerisit, Sebastien; Wang, Zhiguo; Williams, Richard T.; Grim, Joel Q.; Gao, Fei

2014-04-01

Developing a comprehensive understanding of the processes that govern the scintillation behavior of inorganic scintillators provides a pathway to optimize current scintillators and allows for the science-driven search for new scintillator materials. Recent experimental data on the excitation density dependence of the light yield of inorganic scintillators presents an opportunity to incorporate parameterized interactions between excitations in scintillation models and thus enable more realistic simulations of the nonproportionality of inorganic scintillators. Therefore, a kinetic Monte Carlo (KMC) model of elementary scintillation processes in NaI(Tl) is developed in this paper to simulate the kinetics of scintillation for a range of temperatures and Tl concentrations as well as the scintillation efficiency as a function of excitation density. The ability of the KMC model to reproduce available experimental data allows for elucidating the elementary processes that give rise to the kinetics and efficiency of scintillation observed experimentally for a range of conditions.

In pursuit of an accurate spatial and temporal model of biomolecules at the atomistic level: a perspective on computer simulation.

PubMed

Gray, Alan; Harlen, Oliver G; Harris, Sarah A; Khalid, Syma; Leung, Yuk Ming; Lonsdale, Richard; Mulholland, Adrian J; Pearson, Arwen R; Read, Daniel J; Richardson, Robin A

2015-01-01

Despite huge advances in the computational techniques available for simulating biomolecules at the quantum-mechanical, atomistic and coarse-grained levels, there is still a widespread perception amongst the experimental community that these calculations are highly specialist and are not generally applicable by researchers outside the theoretical community. In this article, the successes and limitations of biomolecular simulation and the further developments that are likely in the near future are discussed. A brief overview is also provided of the experimental biophysical methods that are commonly used to probe biomolecular structure and dynamics, and the accuracy of the information that can be obtained from each is compared with that from modelling. It is concluded that progress towards an accurate spatial and temporal model of biomacromolecules requires a combination of all of these biophysical techniques, both experimental and computational.

Investigation of approximate models of experimental temperature characteristics of machines

NASA Astrophysics Data System (ADS)

Parfenov, I. V.; Polyakov, A. N.

2018-05-01

This work is devoted to the investigation of various approaches to the approximation of experimental data and the creation of simulation mathematical models of thermal processes in machines with the aim of finding ways to reduce the time of their field tests and reducing the temperature error of the treatments. The main methods of research which the authors used in this work are: the full-scale thermal testing of machines; realization of various approaches at approximation of experimental temperature characteristics of machine tools by polynomial models; analysis and evaluation of modelling results (model quality) of the temperature characteristics of machines and their derivatives up to the third order in time. As a result of the performed researches, rational methods, type, parameters and complexity of simulation mathematical models of thermal processes in machine tools are proposed.

Numerical simulation of a horizontal sedimentation tank considering sludge recirculation.

PubMed

Zhang, Wei; Zou, Zhihong; Sui, Jun

2010-01-01

Most research conducted on the concentration distribution of sediment in the sedimentation tank does not consider the role of the suction dredge. To analyze concentration distribution more accurately, a suspended sediment transportation model was constructed and the velocity field in the sedimentation tank was determined based on the influence of the suction dredge. An application model was then used to analyze the concentration distribution in the sedimentation tank when the suction dredge was fixed, with results showing that distribution was in accordance with theoretical analysis. The simulated value of the outlet concentration was similar to the experimental value, and the trends of the isoconcentration distribution curves, as well as the vertical distribution curves of the five monitoring sections acquired through simulations, were almost the same as curves acquired through experimentation. The differences between the simulated values and the experimental values were significant.

MATLAB/Simulink Pulse-Echo Ultrasound System Simulator Based on Experimentally Validated Models.

PubMed

Kim, Taehoon; Shin, Sangmin; Lee, Hyongmin; Lee, Hyunsook; Kim, Heewon; Shin, Eunhee; Kim, Suhwan

2016-02-01

A flexible clinical ultrasound system must operate with different transducers, which have characteristic impulse responses and widely varying impedances. The impulse response determines the shape of the high-voltage pulse that is transmitted and the specifications of the front-end electronics that receive the echo; the impedance determines the specification of the matching network through which the transducer is connected. System-level optimization of these subsystems requires accurate modeling of pulse-echo (two-way) response, which in turn demands a unified simulation of the ultrasonics and electronics. In this paper, this is realized by combining MATLAB/Simulink models of the high-voltage transmitter, the transmission interface, the acoustic subsystem which includes wave propagation and reflection, the receiving interface, and the front-end receiver. To demonstrate the effectiveness of our simulator, the models are experimentally validated by comparing the simulation results with the measured data from a commercial ultrasound system. This simulator could be used to quickly provide system-level feedback for an optimized tuning of electronic design parameters.

Quadrature Moments Method for the Simulation of Turbulent Reactive Flows

NASA Technical Reports Server (NTRS)

Raman, Venkatramanan; Pitsch, Heinz; Fox, Rodney O.

2003-01-01

A sub-filter model for reactive flows, namely the DQMOM model, was formulated for Large Eddy Simulation (LES) using the filtered mass density function. Transport equations required to determine the location and size of the delta-peaks were then formulated for a 2-peak decomposition of the FDF. The DQMOM scheme was implemented in an existing structured-grid LES solver. Simulations of scalar shear layer using an experimental configuration showed that the first and second moments of both reactive and inert scalars are in good agreement with a conventional Lagrangian scheme that evolves the same FDF. Comparisons with LES simulations performed using laminar chemistry assumption for the reactive scalar show that the new method provides vast improvements at minimal computational cost. Currently, the DQMOM model is being implemented for use with the progress variable/mixture fraction model of Pierce. Comparisons with experimental results and LES simulations using a single-environment for the progress-variable are planned. Future studies will aim at understanding the effect of increase in environments on predictions.

Comparison of the Experimental Performance of Ferroelectric CPW Circuits with Method of Moment Simulations and Conformal Mapping

NASA Technical Reports Server (NTRS)

VanKeuls, Fred W.; Chevalier, Chris T.; Miranda, Felix A.; Carlson, C. M.; Rivkin, T. V.; Parilla, P. A.; Perkins, J. D.; Ginley, D. S.

2001-01-01

Experimental measurements of coplanar waveguide (CPW) circuits atop thin films of ferroelectric Ba(x)Sr(1-x)TiO3 (BST) were made as a function bias from 0 to 200 V and frequency from 0.045 to 20 GHz. The resulting phase shifts are compared with method of moments electromagnetic simulations and a conformal mapping analysis to determine the dielectric constant of the BST films. Based on the correlation between the experimental and the modeled data, an analysis of the extent to which the electromagnetic simulators provide reliable values for the dielectric constant of the ferroelectric in these structures has been performed. In addition, to determine how well the modeled data compare with experimental data, the dielectric constant values were also compared to low frequency measurements of interdigitated capacitor circuits on the same films. Results of these comparisons will be presented.

Simulation study on the trembling shear behavior of eletrorheological fluid.

PubMed

Yang, F; Gong, X L; Xuan, S H; Jiang, W Q; Jiang, C X; Zhang, Z

2011-07-01

The trembling shear behavior of electrorheological (ER) fluids has been investigated by using a computer simulation method, and a shear-slide boundary model is proposed to understand this phenomenon. A thiourea-doped Ba-Ti-O ER fluid which shows a trembling shear behavior was first prepared and then systematically studied by both theoretical and experimental methods. The shear curves of ER fluids in the dynamic state were simulated with shear rates from 0.1 to 1000 s(-1) under different electric fields. The simulation results of the flow curves match the experimental results very well. The trembling shear curves are divided into four regions and each region can be explained by the proposed model.

Ultrasonic Phased Array Simulations of Welded Components at NASA

NASA Technical Reports Server (NTRS)

Roth, D. J.; Tokars, R. P.; Martin, R. E.; Rauser, R. W.; Aldrin, J. C.

2009-01-01

Comprehensive and accurate inspections of welded components have become of increasing importance as NASA develops new hardware such as Ares rocket segments for future exploration missions. Simulation and modeling will play an increasing role in the future for nondestructive evaluation in order to better understand the physics of the inspection process, to prove or disprove the feasibility for an inspection method or inspection scenario, for inspection optimization, for better understanding of experimental results, and for assessment of probability of detection. This study presents simulation and experimental results for an ultrasonic phased array inspection of a critical welded structure important for NASA future exploration vehicles. Keywords: nondestructive evaluation, computational simulation, ultrasonics, weld, modeling, phased array

Assessment of predictive capabilities for aerodynamic heating in hypersonic flow

NASA Astrophysics Data System (ADS)

Knight, Doyle; Chazot, Olivier; Austin, Joanna; Badr, Mohammad Ali; Candler, Graham; Celik, Bayram; Rosa, Donato de; Donelli, Raffaele; Komives, Jeffrey; Lani, Andrea; Levin, Deborah; Nompelis, Ioannis; Panesi, Marco; Pezzella, Giuseppe; Reimann, Bodo; Tumuklu, Ozgur; Yuceil, Kemal

2017-04-01

The capability for CFD prediction of hypersonic shock wave laminar boundary layer interaction was assessed for a double wedge model at Mach 7.1 in air and nitrogen at 2.1 MJ/kg and 8 MJ/kg. Simulations were performed by seven research organizations encompassing both Navier-Stokes and Direct Simulation Monte Carlo (DSMC) methods as part of the NATO STO AVT Task Group 205 activity. Comparison of the CFD simulations with experimental heat transfer and schlieren visualization suggest the need for accurate modeling of the tunnel startup process in short-duration hypersonic test facilities, and the importance of fully 3-D simulations of nominally 2-D (i.e., non-axisymmmetric) experimental geometries.

Capturing the Energy Absorbing Mechanisms of Composite Structures under Crash Loading

NASA Astrophysics Data System (ADS)

Wade, Bonnie

As fiber reinforced composite material systems become increasingly utilized in primary aircraft and automotive structures, the need to understand their contribution to the crashworthiness of the structure is of great interest to meet safety certification requirements. The energy absorbing behavior of a composite structure, however, is not easily predicted due to the great complexity of the failure mechanisms that occur within the material. Challenges arise both in the experimental characterization and in the numerical modeling of the material/structure combination. At present, there is no standardized test method to characterize the energy absorbing capability of composite materials to aide crashworthy structural design. In addition, although many commercial finite element analysis codes exist and offer a means to simulate composite failure initiation and propagation, these models are still under development and refinement. As more metallic structures are replaced by composite structures, the need for both experimental guidelines to characterize the energy absorbing capability of a composite structure, as well as guidelines for using numerical tools to simulate composite materials in crash conditions has become a critical matter. This body of research addresses both the experimental characterization of the energy absorption mechanisms occurring in composite materials during crushing, as well as the numerical simulation of composite materials undergoing crushing. In the experimental investigation, the specific energy absorption (SEA) of a composite material system is measured using a variety of test element geometries, such as corrugated plates and tubes. Results from several crush experiments reveal that SEA is not a constant material property for laminated composites, and varies significantly with the geometry of the test specimen used. The variation of SEA measured for a single material system requires that crush test data must be generated for a range of different test geometries in order to define the range of its energy absorption capability. Further investigation from the crush tests has led to the development of a direct link between geometric features of the crush specimen and its resulting SEA. Through micrographic analysis, distinct failure modes are shown to be guided by the geometry of the specimen, and subsequently are shown to directly influence energy absorption. A new relationship between geometry, failure mode, and SEA has been developed. This relationship has allowed for the reduction of the element-level crush testing requirement to characterize the composite material energy absorption capability. In the numerical investigation, the LS-DYNA composite material model MAT54 is selected for its suitability to model composite materials beyond failure determination, as required by crush simulation, and its capability to remain within the scope of ultimately using this model for large-scale crash simulation. As a result of this research, this model has been thoroughly investigated in depth for its capacity to simulate composite materials in crush, and results from several simulations of the element-level crush experiments are presented. A modeling strategy has been developed to use MAT54 for crush simulation which involves using the experimental data collected from the coupon- and element-level crush tests to directly calibrate the crush damage parameter in MAT54 such that it may be used in higher-level simulations. In addition, the source code of the material model is modified to improve upon its capability. The modifications include improving the elastic definition such that the elastic response to multi-axial load cases can be accurately portrayed simultaneously in each element, which is a capability not present in other composite material models. Modifications made to the failure determination and post-failure model have newly emphasized the post-failure stress degradation scheme rather than the failure criterion which is traditionally considered the most important composite material model definition for crush simulation. The modification efforts have also validated the use of the MAT54 failure criterion and post-failure model for crash modeling when its capabilities and limitations are well understood, and for this reason guidelines for using MAT54 for composite crush simulation are presented. This research has effectively (a) developed and demonstrated a procedure that defines a set of experimental crush results that characterize the energy absorption capability of a composite material system, (b) used the experimental results in the development and refinement of a composite material model for crush simulation, (c) explored modifying the material model to improve its use in crush modeling, and (d) provided experimental and modeling guidelines for composite structures under crush at the element-level in the scope of the Building Block Approach.

Model and Simulation of an SMA Enhanced Lip Seal

NASA Astrophysics Data System (ADS)

Qiao, Rui; Gao, Xiujie; Brinson, L. Catherine

2011-07-01

The feasibility of using SMA wires to improve the seal effectiveness has been studied experimentally and numerically. In this article, we present only the numerical study of simulating the thermo-mechanical behavior for an SMA enhanced lip seal, leaving the test setup and results in the experimental counterpart. A pseudo 3D SMA model, considering 1D SMA behavior in the major loading direction and elastic response in other directions, was used to capture the thermo-mechanical behavior of SMA wires. The model was then implemented into ABAQUS using the user-defined material subroutine to inherit most features of the commercial finite element package. Two-way shape memory effect was also considered since the SMA material exhibits strong two-way effects. An axisymmetric finite element model was constructed to simulate a seal mounting on a shaft and the sealing pressure was calculated for both the regular seal and the SMA enhanced seal. Finally, the result was qualitatively compared with the experimental observation.

Simulation of energy buildups in solid-state regenerative amplifiers for 2-μm emitting lasers

NASA Astrophysics Data System (ADS)

Springer, Ramon; Alexeev, Ilya; Heberle, Johannes; Pflaum, Christoph

2018-02-01

A numerical model for solid-state regenerative amplifiers is presented, which is able to precisely simulate the quantitative energy buildup of stretched femtosecond pulses over passed roundtrips in the cavity. In detail, this model is experimentally validated with a Ti:Sapphire regenerative amplifier. Additionally, the simulation of a Ho:YAG based regenerative amplifier is conducted and compared to experimental data from literature. Furthermore, a bifurcation study of the investigated Ho:YAG system is performed, which leads to the identification of stable and instable operation regimes. The presented numerical model exhibits a well agreement to the experimental results from the Ti:Sapphire regenerative amplifier. Also, the gained pulse energy from the Ho:YAG system could be approximated closely, while the mismatch is explained with the monochromatic calculation of pulse amplification. Since the model is applicable to other solid-state gain media, it allows for the efficient design of future amplification systems based on regenerative amplification.

Experimental characterisation and modelling of deformation- induced microstructure in an A6061 aluminium alloy

NASA Astrophysics Data System (ADS)

Kreyca, J. F.; Falahati, A.; Kozeschnik, E.

2016-03-01

For industry, the mechanical properties of a material in form of flow curves are essential input data for finite element simulations. Current practice is to obtain flow curves experimentally and to apply fitting procedures to obtain constitutive equations that describe the material response to external loading as a function of temperature and strain rate. Unfortunately, the experimental procedure for characterizing flow curves is complex and expensive, which is why the prediction of flow-curves by computer modelling becomes increasingly important. In the present work, we introduce a state parameter based model that is capable of predicting the flow curves of an A6061 aluminium alloy in different heat-treatment conditions. The model is implemented in the thermo-kinetic software package MatCalc and takes into account precipitation kinetics, subgrain formation, dynamic recovery by spontaneous annihilation and dislocation climb. To validate the simulation results, a series of compression tests is performed on the thermo-mechanical simulator Gleeble 1500.

Constraining heat-transport models by comparison to experimental data in a NIF hohlraum

NASA Astrophysics Data System (ADS)

Farmer, W. A.; Jones, O. S.; Barrios Garcia, M. A.; Koning, J. M.; Kerbel, G. D.; Strozzi, D. J.; Hinkel, D. E.; Moody, J. D.; Suter, L. J.; Liedahl, D. A.; Moore, A. S.; Landen, O. L.

2017-10-01

The accurate simulation of hohlraum plasma conditions is important for predicting the partition of energy and the symmetry of the x-ray field within a hohlraum. Electron heat transport within the hohlraum plasma is difficult to model due to the complex interaction of kinetic plasma effects, magnetic fields, laser-plasma interactions, and microturbulence. Here, we report simulation results using the radiation-hydrodynamic code, HYDRA, utilizing various physics packages (e.g., nonlocal Schurtz model, MHD, flux limiters) and compare to data from hohlraum plasma experiments which contain a Mn-Co tracer dot. In these experiments, the dot is placed in various positions in the hohlraum in order to assess the spatial variation of plasma conditions. Simulated data is compared to a variety of experimental diagnostics. Conclusions are given concerning how the experimental data does and does not constrain the physics models examined. This work was supported by the U.S. Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344.

Experimental study of performance degradation of a model helicopter main rotor with simulated ice shapes

NASA Technical Reports Server (NTRS)

Korkan, K. D.; Cross, E. J., Jr.; Cornell, C. C.

1984-01-01

An experimental study utilizing a remote controlled model helicopter has been conducted to measure the performance degradation due to simulated ice accretion on the leading edge of the main rotor for hover and forward flight. The 53.375 inch diameter main rotor incorporates a NACA 0012 airfoil with a generic ice shape corresponding to a specified natural ice condition. Thrust coefficients and torque coefficients about the main rotor were measured as a function of velocity, main rotor RPM, angle-of-incidence of the fuselage, collective pitch angle, and extent of spanwise ice accretion. An experimental airfoil data bank has been determined using a two-dimensional twenty-one inch NACA 0012 airfoil with scaled ice accretion shapes identical to that used on the model helicopter main rotor. The corresponding experimental data are discussed with emphasis on Reynolds number effects and ice accretion scale model testing.

Experimental Validation of the Transverse Shear Behavior of a Nomex Core for Sandwich Panels

NASA Astrophysics Data System (ADS)

Farooqi, M. I.; Nasir, M. A.; Ali, H. M.; Ali, Y.

2017-05-01

This work deals with determination of the transverse shear moduli of a Nomex® honeycomb core of sandwich panels. Their out-of-plane shear characteristics depend on the transverse shear moduli of the honeycomb core. These moduli were determined experimentally, numerically, and analytically. Numerical simulations were performed by using a unit cell model and three analytical approaches. Analytical calculations showed that two of the approaches provided reasonable predictions for the transverse shear modulus as compared with experimental results. However, the approach based upon the classical lamination theory showed large deviations from experimental data. Numerical simulations also showed a trend similar to that resulting from the analytical models.

Simple liquid models with corrected dielectric constants

PubMed Central

Fennell, Christopher J.; Li, Libo; Dill, Ken A.

2012-01-01

Molecular simulations often use explicit-solvent models. Sometimes explicit-solvent models can give inaccurate values for basic liquid properties, such as the density, heat capacity, and permittivity, as well as inaccurate values for molecular transfer free energies. Such errors have motivated the development of more complex solvents, such as polarizable models. We describe an alternative here. We give new fixed-charge models of solvents for molecular simulations – water, carbon tetrachloride, chloroform and dichloromethane. Normally, such solvent models are parameterized to agree with experimental values of the neat liquid density and enthalpy of vaporization. Here, in addition to those properties, our parameters are chosen to give the correct dielectric constant. We find that these new parameterizations also happen to give better values for other properties, such as the self-diffusion coefficient. We believe that parameterizing fixed-charge solvent models to fit experimental dielectric constants may provide better and more efficient ways to treat solvents in computer simulations. PMID:22397577

Head and neck response of a finite element anthropomorphic test device and human body model during a simulated rotary-wing aircraft impact.

PubMed

White, Nicholas A; Danelson, Kerry A; Gayzik, F Scott; Stitzel, Joel D

2014-11-01

A finite element (FE) simulation environment has been developed to investigate aviator head and neck response during a simulated rotary-wing aircraft impact using both an FE anthropomorphic test device (ATD) and an FE human body model. The head and neck response of the ATD simulation was successfully validated against an experimental sled test. The majority of the head and neck transducer time histories received a CORrelation and analysis (CORA) rating of 0.7 or higher, indicating good overall correlation. The human body model simulation produced a more biofidelic head and neck response than the ATD experimental test and simulation, including change in neck curvature. While only the upper and lower neck loading can be measured in the ATD, the shear force, axial force, and bending moment were reported for each level of the cervical spine in the human body model using a novel technique involving cross sections. This loading distribution provides further insight into the biomechanical response of the neck during a rotary-wing aircraft impact.

From Single-Cell Dynamics to Scaling Laws in Oncology

NASA Astrophysics Data System (ADS)

Chignola, Roberto; Sega, Michela; Stella, Sabrina; Vyshemirsky, Vladislav; Milotti, Edoardo

We are developing a biophysical model of tumor biology. We follow a strictly quantitative approach where each step of model development is validated by comparing simulation outputs with experimental data. While this strategy may slow down our advancements, at the same time it provides an invaluable reward: we can trust simulation outputs and use the model to explore territories of cancer biology where current experimental techniques fail. Here, we review our multi-scale biophysical modeling approach and show how a description of cancer at the cellular level has led us to general laws obeyed by both in vitro and in vivo tumors.

Comparison of experimental proton-induced fluorescence spectra for a selection of thin high-Z samples with Geant4 Monte Carlo simulations

NASA Astrophysics Data System (ADS)

Incerti, S.; Barberet, Ph.; Dévès, G.; Michelet, C.; Francis, Z.; Ivantchenko, V.; Mantero, A.; El Bitar, Z.; Bernal, M. A.; Tran, H. N.; Karamitros, M.; Seznec, H.

2015-09-01

The general purpose Geant4 Monte Carlo simulation toolkit is able to simulate radiative and non-radiative atomic de-excitation processes such as fluorescence and Auger electron emission, occurring after interaction of incident ionising radiation with target atomic electrons. In this paper, we evaluate the Geant4 modelling capability for the simulation of fluorescence spectra induced by 1.5 MeV proton irradiation of thin high-Z foils (Fe, GdF3, Pt, Au) with potential interest for nanotechnologies and life sciences. Simulation results are compared to measurements performed at the Centre d'Etudes Nucléaires de Bordeaux-Gradignan AIFIRA nanobeam line irradiation facility in France. Simulation and experimental conditions are described and the influence of Geant4 electromagnetic physics models is discussed.

The free jet as a simulator of forward velocity effects on jet noise

NASA Technical Reports Server (NTRS)

Ahuja, K. K.; Tester, B. J.; Tanna, H. K.

1978-01-01

A thorough theoretical and experimental study of the effects of the free-jet shear layer on the transmission of sound from a model jet placed within the free jet to the far-field receiver located outside the free-jet flow was conducted. The validity and accuracy of the free-jet flight simulation technique for forward velocity effects on jet noise was evaluated. Transformation charts and a systematic computational procedure for converting measurements from a free-jet simulation to the corresponding results from a wind-tunnel simulation, and, finally, to the flight case were provided. The effects of simulated forward flight on jet mixing noise, internal noise and shock-associated noise from model-scale unheated and heated jets were established experimentally in a free-jet facility. It was illustrated that the existing anomalies between full-scale flight data and model-scale flight simulation data projected to the flight case, could well be due to the contamination of flight data by engine internal noise.

Using deep neural networks to augment NIF post-shot analysis

NASA Astrophysics Data System (ADS)

Humbird, Kelli; Peterson, Luc; McClarren, Ryan; Field, John; Gaffney, Jim; Kruse, Michael; Nora, Ryan; Spears, Brian

2017-10-01

Post-shot analysis of National Ignition Facility (NIF) experiments is the process of determining which simulation inputs yield results consistent with experimental observations. This analysis is typically accomplished by running suites of manually adjusted simulations, or Monte Carlo sampling surrogate models that approximate the response surfaces of the physics code. These approaches are expensive and often find simulations that match only a small subset of observables simultaneously. We demonstrate an alternative method for performing post-shot analysis using inverse models, which map directly from experimental observables to simulation inputs with quantified uncertainties. The models are created using a novel machine learning algorithm which automates the construction and initialization of deep neural networks to optimize predictive accuracy. We show how these neural networks, trained on large databases of post-shot simulations, can rigorously quantify the agreement between simulation and experiment. This work performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344.

Exploring the effects of transducer models when training convolutional neural networks to eliminate reflection artifacts in experimental photoacoustic images

NASA Astrophysics Data System (ADS)

Allman, Derek; Reiter, Austin; Bell, Muyinatu

2018-02-01

We previously proposed a method of removing reflection artifacts in photoacoustic images that uses deep learning. Our approach generally relies on using simulated photoacoustic channel data to train a convolutional neural network (CNN) that is capable of distinguishing sources from artifacts based on unique differences in their spatial impulse responses (manifested as depth-based differences in wavefront shapes). In this paper, we directly compare a CNN trained with our previous continuous transducer model to a CNN trained with an updated discrete acoustic receiver model that more closely matches an experimental ultrasound transducer. These two CNNs were trained with simulated data and tested on experimental data. The CNN trained using the continuous receiver model correctly classified 100% of sources and 70.3% of artifacts in the experimental data. In contrast, the CNN trained using the discrete receiver model correctly classified 100% of sources and 89.7% of artifacts in the experimental images. The 19.4% increase in artifact classification accuracy indicates that an acoustic receiver model that closely mimics the experimental transducer plays an important role in improving the classification of artifacts in experimental photoacoustic data. Results are promising for developing a method to display CNN-based images that remove artifacts in addition to only displaying network-identified sources as previously proposed.

Simulation of water flow and nitrogen transport for a Bulgarian experimental plot using SWAP and ANIMO models.

PubMed

Marinov, Dimitar; Querner, Erik; Roelsma, Jan

2005-04-01

Unsaturated zone models are useful tools in predicting effects of measures and can be used to optimise agricultural practice aiming to minimise the impact on the environment. However, current soil models have a varying degree of abstraction level referring to simulated processes in time and space. In the framework of an EU funded project the SWAP (Soil-Water-Atmosphere-Plant) and ANIMO (Agricultural-Nutrient-Model) models were tested for an experimental arable plot in Bulgaria. SWAP was used to simulate water flow in the soil while ANIMO describes nitrogen movement and transformations. The objectives of this study are: (i) to show results of the combined application of water and nitrogen dynamics of originally Dutch models SWAP and ANIMO for specific Bulgarian soil and hydrological conditions; (ii) to calibrate and evaluate SWAP and ANIMO models by comparing numerical results with field measurements collected for an arable field in western Bulgaria and (iii) to analyse possible contamination of groundwater due to agricultural practice in the considered region. Further a short description of the experimental plot, as well as information about parameters of the investigated soil profiles, is provided. The obtained SWAP results evidenced that the model gives sufficient adaptation for soil water dynamics. The simulations of ANIMO for nitrogen cycle show greater divergence with observations but are satisfactory precise for the purposes of assessing land use impact on groundwater quality. In general, differences between model results and field measurements do not exceed 10-15%. For the experimental plot predictions indicate nitrate-N concentrations less then 5 mg/l in deeper soil compartments and low downward annual flux containing 0.133 kg N/ha. These results indicate that there is no serious pollution of the shallow groundwater table by nitrogen resulting from land use and agricultural activities.

Recent Advances in Simulation of Eddy Current Testing of Tubes and Experimental Validations

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

Reboud, C.; Premel, D.; Lesselier, D.

2007-03-21

Eddy current testing (ECT) is widely used in iron and steel industry for the inspection of tubes during manufacturing. A collaboration between CEA and the Vallourec Research Center led to the development of new numerical functionalities dedicated to the simulation of ECT of non-magnetic tubes by external probes. The achievement of experimental validations led us to the integration of these models into the CIVA platform. Modeling approach and validation results are discussed here. A new numerical scheme is also proposed in order to improve the accuracy of the 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.

Recent Advances in Simulation of Eddy Current Testing of Tubes and Experimental Validations

NASA Astrophysics Data System (ADS)

Reboud, C.; Prémel, D.; Lesselier, D.; Bisiaux, B.

2007-03-01

Eddy current testing (ECT) is widely used in iron and steel industry for the inspection of tubes during manufacturing. A collaboration between CEA and the Vallourec Research Center led to the development of new numerical functionalities dedicated to the simulation of ECT of non-magnetic tubes by external probes. The achievement of experimental validations led us to the integration of these models into the CIVA platform. Modeling approach and validation results are discussed here. A new numerical scheme is also proposed in order to improve the accuracy of the model.

One- and two-dimensional Stirling machine simulation using experimentally generated flow turbulence models

NASA Technical Reports Server (NTRS)

Goldberg, Louis F.

1990-01-01

Investigations of one- and two-dimensional (1- or 2-D) simulations of Stirling machines centered around experimental data generated by the U. of Minnesota Mechanical Engineering Test Rig (METR) are covered. This rig was used to investigate oscillating flows about a zero mean with emphasis on laminar/turbulent flow transitions in tubes. The Space Power Demonstrator Engine (SPDE) and in particular, its heater, were the subjects of the simulations. The heater was treated as a 1- or 2-D entity in an otherwise 1-D system. The 2-D flow effects impacted the transient flow predictions in the heater itself but did not have a major impact on overall system performance. Information propagation effects may be a significant issue in the simulation (if not the performance) of high-frequency, high-pressure Stirling machines. This was investigated further by comparing a simulation against an experimentally validated analytic solution for the fluid dynamics of a transmission line. The applicability of the pressure-linking algorithm for compressible flows may be limited by characteristic number (defined as flow path information traverses per cycle); this warrants further study. Lastly the METR was simulated in 1- and 2-D. A two-parameter k-w foldback function turbulence model was developed and tested against a limited set of METR experimental data.

Source Term Model for Vortex Generator Vanes in a Navier-Stokes Computer Code

NASA Technical Reports Server (NTRS)

Waithe, Kenrick A.

2004-01-01

A source term model for an array of vortex generators was implemented into a non-proprietary Navier-Stokes computer code, OVERFLOW. The source term models the side force created by a vortex generator vane. The model is obtained by introducing a side force to the momentum and energy equations that can adjust its strength automatically based on the local flow. The model was tested and calibrated by comparing data from numerical simulations and experiments of a single low profile vortex generator vane on a flat plate. In addition, the model was compared to experimental data of an S-duct with 22 co-rotating, low profile vortex generators. The source term model allowed a grid reduction of about seventy percent when compared with the numerical simulations performed on a fully gridded vortex generator on a flat plate without adversely affecting the development and capture of the vortex created. The source term model was able to predict the shape and size of the stream-wise vorticity and velocity contours very well when compared with both numerical simulations and experimental data. The peak vorticity and its location were also predicted very well when compared to numerical simulations and experimental data. The circulation predicted by the source term model matches the prediction of the numerical simulation. The source term model predicted the engine fan face distortion and total pressure recovery of the S-duct with 22 co-rotating vortex generators very well. The source term model allows a researcher to quickly investigate different locations of individual or a row of vortex generators. The researcher is able to conduct a preliminary investigation with minimal grid generation and computational time.

Single-Event Upset (SEU) model verification and threshold determination using heavy ions in a bipolar static RAM

NASA Technical Reports Server (NTRS)

Zoutendyk, J. A.; Smith, L. S.; Soli, G. A.; Thieberger, P.; Wegner, H. E.

1985-01-01

Single-Event Upset (SEU) response of a bipolar low-power Schottky-diode-clamped TTL static RAM has been observed using Br ions in the 100-240 MeV energy range and O ions in the 20-100 MeV range. These data complete the experimental verification of circuit-simulation SEU modeling for this device. The threshold for onset of SEU has been observed by the variation of energy, ion species and angle of incidence. The results obtained from the computer circuit-simulation modeling and experimental model verification demonstrate a viable methodology for modeling SEU in bipolar integrated circuits.

Overview of Experimental Capabilities - Supersonics

NASA Technical Reports Server (NTRS)

Banks, Daniel W.

2007-01-01

This viewgraph presentation gives an overview of experimental capabilities applicable to the area of supersonic research. The contents include: 1) EC Objectives; 2) SUP.11: Elements; 3) NRA; 4) Advanced Flight Simulator Flexible Aircraft Simulation Studies; 5) Advanced Flight Simulator Flying Qualities Guideline Development for Flexible Supersonic Transport Aircraft; 6) Advanced Flight Simulator Rigid/Flex Flight Control; 7) Advanced Flight Simulator Rapid Sim Model Exchange; 8) Flight Test Capabilities Advanced In-Flight Infrared (IR) Thermography; 9) Flight Test Capabilities In-Flight Schlieren; 10) Flight Test Capabilities CLIP Flow Calibration; 11) Flight Test Capabilities PFTF Flowfield Survey; 12) Ground Test Capabilities Laser-Induced Thermal Acoustics (LITA); 13) Ground Test Capabilities Doppler Global Velocimetry (DGV); 14) Ground Test Capabilities Doppler Global Velocimetry (DGV); and 15) Ground Test Capabilities EDL Optical Measurement Capability (PIV) for Rigid/Flexible Decelerator Models.

Steel Fibers Reinforced Concrete Pipes - Experimental Tests and Numerical Simulation

NASA Astrophysics Data System (ADS)

Doru, Zdrenghea

2017-10-01

The paper presents in the first part a state of the art review of reinforced concrete pipes used in micro tunnelling realised through pipes jacking method and design methods for steel fibres reinforced concrete. In part two experimental tests are presented on inner pipes with diameters of 1410mm and 2200mm, and specimens (100x100x500mm) of reinforced concrete with metal fibres (35 kg / m3). In part two experimental tests are presented on pipes with inner diameters of 1410mm and 2200mm, and specimens (100x100x500mm) of reinforced concrete with steel fibres (35 kg / m3). The results obtained are analysed and are calculated residual flexural tensile strengths which characterise the post-cracking behaviour of steel fibres reinforced concrete. In the third part are presented numerical simulations of the tests of pipes and specimens. The model adopted for the pipes test was a three-dimensional model and loads considered were those obtained in experimental tests at reaching breaking forces. Tensile stresses determined were compared with mean flexural tensile strength. To validate tensile parameters of steel fibres reinforced concrete, experimental tests of the specimens were modelled with MIDAS program to reproduce the flexural breaking behaviour. To simulate post - cracking behaviour was used the method σ — ε based on the relationship stress - strain, according to RILEM TC 162-TDF. For the specimens tested were plotted F — δ diagrams, which have been superimposed for comparison with the similar diagrams of experimental tests. The comparison of experimental results with those obtained from numerical simulation leads to the following conclusions: - the maximum forces obtained by numerical calculation have higher values than the experimental values for the same tensile stresses; - forces corresponding of residual strengths have very similar values between the experimental and numerical calculations; - generally the numerical model estimates a breaking force greater than that obtained in the experimental tests. Experimental and numerical studies are used to establish the residual characteristic flexural tensile strength minimum guaranteed and limits of applicability of concrete pipes reinforced with steel fibres used in various field and loading situations.

A Theoretical Study of the Hydration of Methane, from the Aqueous Solution to the sI Hydrate-Liquid Water-Gas Coexistence

PubMed Central

Luis, Daniel Porfirio; García-González, Alcione; Saint-Martin, Humberto

2016-01-01

Monte Carlo and molecular dynamics simulations were done with three recent water models TIP4P/2005 (Transferable Intermolecular Potential with 4 Points/2005), TIP4P/Ice (Transferable Intermolecular Potential with 4 Points/ Ice) and TIP4Q (Transferable Intermolecular Potential with 4 charges) combined with two models for methane: an all-atom one OPLS-AA (Optimal Parametrization for the Liquid State) and a united-atom one (UA); a correction for the C–O interaction was applied to the latter and used in a third set of simulations. The models were validated by comparison to experimental values of the free energy of hydration at 280, 300, 330 and 370 K, all under a pressure of 1 bar, and to the experimental radial distribution functions at 277, 283 and 291 K, under a pressure of 145 bar. Regardless of the combination rules used for σC,O, good agreement was found, except when the correction to the UA model was applied. Thus, further simulations of the sI hydrate were performed with the united-atom model to compare the thermal expansivity to the experiment. A final set of simulations was done with the UA methane model and the three water models, to study the sI hydrate-liquid water-gas coexistence at 80, 230 and 400 bar. The melting temperatures were compared to the experimental values. The results show the need to perform simulations with various different models to attain a reliable and robust molecular image of the systems of interest. PMID:27240339

Use of the FDA nozzle model to illustrate validation techniques in computational fluid dynamics (CFD) simulations

PubMed Central

Hariharan, Prasanna; D’Souza, Gavin A.; Horner, Marc; Morrison, Tina M.; Malinauskas, Richard A.; Myers, Matthew R.

2017-01-01

A “credible” computational fluid dynamics (CFD) model has the potential to provide a meaningful evaluation of safety in medical devices. One major challenge in establishing “model credibility” is to determine the required degree of similarity between the model and experimental results for the model to be considered sufficiently validated. This study proposes a “threshold-based” validation approach that provides a well-defined acceptance criteria, which is a function of how close the simulation and experimental results are to the safety threshold, for establishing the model validity. The validation criteria developed following the threshold approach is not only a function of Comparison Error, E (which is the difference between experiments and simulations) but also takes in to account the risk to patient safety because of E. The method is applicable for scenarios in which a safety threshold can be clearly defined (e.g., the viscous shear-stress threshold for hemolysis in blood contacting devices). The applicability of the new validation approach was tested on the FDA nozzle geometry. The context of use (COU) was to evaluate if the instantaneous viscous shear stress in the nozzle geometry at Reynolds numbers (Re) of 3500 and 6500 was below the commonly accepted threshold for hemolysis. The CFD results (“S”) of velocity and viscous shear stress were compared with inter-laboratory experimental measurements (“D”). The uncertainties in the CFD and experimental results due to input parameter uncertainties were quantified following the ASME V&V 20 standard. The CFD models for both Re = 3500 and 6500 could not be sufficiently validated by performing a direct comparison between CFD and experimental results using the Student’s t-test. However, following the threshold-based approach, a Student’s t-test comparing |S-D| and |Threshold-S| showed that relative to the threshold, the CFD and experimental datasets for Re = 3500 were statistically similar and the model could be considered sufficiently validated for the COU. However, for Re = 6500, at certain locations where the shear stress is close the hemolysis threshold, the CFD model could not be considered sufficiently validated for the COU. Our analysis showed that the model could be sufficiently validated either by reducing the uncertainties in experiments, simulations, and the threshold or by increasing the sample size for the experiments and simulations. The threshold approach can be applied to all types of computational models and provides an objective way of determining model credibility and for evaluating medical devices. PMID:28594889

Use of the FDA nozzle model to illustrate validation techniques in computational fluid dynamics (CFD) simulations.

PubMed

Hariharan, Prasanna; D'Souza, Gavin A; Horner, Marc; Morrison, Tina M; Malinauskas, Richard A; Myers, Matthew R

2017-01-01

A "credible" computational fluid dynamics (CFD) model has the potential to provide a meaningful evaluation of safety in medical devices. One major challenge in establishing "model credibility" is to determine the required degree of similarity between the model and experimental results for the model to be considered sufficiently validated. This study proposes a "threshold-based" validation approach that provides a well-defined acceptance criteria, which is a function of how close the simulation and experimental results are to the safety threshold, for establishing the model validity. The validation criteria developed following the threshold approach is not only a function of Comparison Error, E (which is the difference between experiments and simulations) but also takes in to account the risk to patient safety because of E. The method is applicable for scenarios in which a safety threshold can be clearly defined (e.g., the viscous shear-stress threshold for hemolysis in blood contacting devices). The applicability of the new validation approach was tested on the FDA nozzle geometry. The context of use (COU) was to evaluate if the instantaneous viscous shear stress in the nozzle geometry at Reynolds numbers (Re) of 3500 and 6500 was below the commonly accepted threshold for hemolysis. The CFD results ("S") of velocity and viscous shear stress were compared with inter-laboratory experimental measurements ("D"). The uncertainties in the CFD and experimental results due to input parameter uncertainties were quantified following the ASME V&V 20 standard. The CFD models for both Re = 3500 and 6500 could not be sufficiently validated by performing a direct comparison between CFD and experimental results using the Student's t-test. However, following the threshold-based approach, a Student's t-test comparing |S-D| and |Threshold-S| showed that relative to the threshold, the CFD and experimental datasets for Re = 3500 were statistically similar and the model could be considered sufficiently validated for the COU. However, for Re = 6500, at certain locations where the shear stress is close the hemolysis threshold, the CFD model could not be considered sufficiently validated for the COU. Our analysis showed that the model could be sufficiently validated either by reducing the uncertainties in experiments, simulations, and the threshold or by increasing the sample size for the experiments and simulations. The threshold approach can be applied to all types of computational models and provides an objective way of determining model credibility and for evaluating medical devices.

Chaos in plasma simulation and experiment

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

Watts, C.; Newman, D.E.; Sprott, J.C.

1993-09-01

We investigate the possibility that chaos and simple determinism are governing the dynamics of reversed field pinch (RFP) plasmas using data from both numerical simulations and experiment. A large repertoire of nonlinear analysis techniques is used to identify low dimensional chaos. These tools include phase portraits and Poincard sections, correlation dimension, the spectrum of Lyapunov exponents and short term predictability. In addition, nonlinear noise reduction techniques are applied to the experimental data in an attempt to extract any underlying deterministic dynamics. Two model systems are used to simulate the plasma dynamics. These are -the DEBS code, which models global RFPmore » dynamics, and the dissipative trapped electron mode (DTEM) model, which models drift wave turbulence. Data from both simulations show strong indications of low,dimensional chaos and simple determinism. Experimental data were obtained from the Madison Symmetric Torus RFP and consist of a wide array of both global and local diagnostic signals. None of the signals shows any indication of low dimensional chaos or other simple determinism. Moreover, most of the analysis tools indicate the experimental system is very high dimensional with properties similar to noise. Nonlinear noise reduction is unsuccessful at extracting an underlying deterministic system.« less

Increased Uptake of Chelated Copper Ions by Lolium perenne Attributed to Amplified Membrane and Endodermal Damage

PubMed Central

Johnson, Anthea; Singhal, Naresh

2015-01-01

The contributions of mechanisms by which chelators influence metal translocation to plant shoot tissues are analyzed using a combination of numerical modelling and physical experiments. The model distinguishes between apoplastic and symplastic pathways of water and solute movement. It also includes the barrier effects of the endodermis and plasma membrane. Simulations are used to assess transport pathways for free and chelated metals, identifying mechanisms involved in chelate-enhanced phytoextraction. Hypothesized transport mechanisms and parameters specific to amendment treatments are estimated, with simulated results compared to experimental data. Parameter values for each amendment treatment are estimated based on literature and experimental values, and used for model calibration and simulation of amendment influences on solute transport pathways and mechanisms. Modeling indicates that chelation alters the pathways for Cu transport. For free ions, Cu transport to leaf tissue can be described using purely apoplastic or transcellular pathways. For strong chelators (ethylenediaminetetraacetic acid (EDTA) and diethylenetriaminepentaacetic acid (DTPA)), transport by the purely apoplastic pathway is insufficient to represent measured Cu transport to leaf tissue. Consistent with experimental observations, increased membrane permeability is required for simulating translocation in EDTA and DTPA treatments. Increasing the membrane permeability is key to enhancing phytoextraction efficiency. PMID:26512647

Skin hydration analysis by experiment and computer simulations and its implications for diapered skin.

PubMed

Saadatmand, M; Stone, K J; Vega, V N; Felter, S; Ventura, S; Kasting, G; Jaworska, J

2017-11-01

Experimental work on skin hydration is technologically challenging, and mostly limited to observations where environmental conditions are constant. In some cases, like diapered baby skin, such work is practically unfeasible, yet it is important to understand potential effects of diapering on skin condition. To overcome this challenge, in part, we developed a computer simulation model of reversible transient skin hydration effects. Skin hydration model by Li et al. (Chem Eng Sci, 138, 2015, 164) was further developed to simulate transient exposure conditions where relative humidity (RH), wind velocity, air, and skin temperature can be any function of time. Computer simulations of evaporative water loss (EWL) decay after different occlusion times were compared with experimental data to calibrate the model. Next, we used the model to investigate EWL and SC thickness in different diapering scenarios. Key results from the experimental work were: (1) For occlusions by RH=100% and free water longer than 30 minutes the absorbed amount of water is almost the same; (2) Longer occlusion times result in higher water absorption by the SC. The EWL decay and skin water content predictions were in agreement with experimental data. Simulations also revealed that skin under occlusion hydrates mainly because the outflux is blocked, not because it absorbs water from the environment. Further, simulations demonstrated that hydration level is sensitive to time, RH and/or free water on skin. In simulated diapering scenarios, skin maintained hydration content very close to the baseline conditions without a diaper for the entire duration of a 24 hours period. Different diapers/diaper technologies are known to have different profiles in terms of their ability to provide wetness protection, which can result in consumer-noticeable differences in wetness. Simulation results based on published literature using data from a number of different diapers suggest that diapered skin hydrates within ranges considered reversible. © 2017 John Wiley & Sons A/S. Published by John Wiley & Sons Ltd.

Analysis of vibrational-translational energy transfer using the direct simulation Monte Carlo method

NASA Technical Reports Server (NTRS)

Boyd, Iain D.

1991-01-01

A new model is proposed for energy transfer between the vibrational and translational modes for use in the direct simulation Monte Carlo method (DSMC). The model modifies the Landau-Teller theory for a harmonic oscillator and the rate transition is related to an experimental correlation for the vibrational relaxation time. Assessment of the model is made with respect to three different computations: relaxation in a heat bath, a one-dimensional shock wave, and hypersonic flow over a two-dimensional wedge. These studies verify that the model achieves detailed balance, and excellent agreement with experimental data is obtained in the shock wave calculation. The wedge flow computation reveals that the usual phenomenological method for simulating vibrational nonequilibrium in the DSMC technique predicts much higher vibrational temperatures in the wake region.

Determination of Vertical Borehole and Geological Formation Properties using the Crossed Contour Method.

PubMed

Leyde, Brian P; Klein, Sanford A; Nellis, Gregory F; Skye, Harrison

2017-03-01

This paper presents a new method called the Crossed Contour Method for determining the effective properties (borehole radius and ground thermal conductivity) of a vertical ground-coupled heat exchanger. The borehole radius is used as a proxy for the overall borehole thermal resistance. The method has been applied to both simulated and experimental borehole Thermal Response Test (TRT) data using the Duct Storage vertical ground heat exchanger model implemented in the TRansient SYstems Simulation software (TRNSYS). The Crossed Contour Method generates a parametric grid of simulated TRT data for different combinations of borehole radius and ground thermal conductivity in a series of time windows. The error between the average of the simulated and experimental bore field inlet and outlet temperatures is calculated for each set of borehole properties within each time window. Using these data, contours of the minimum error are constructed in the parameter space of borehole radius and ground thermal conductivity. When all of the minimum error contours for each time window are superimposed, the point where the contours cross (intersect) identifies the effective borehole properties for the model that most closely represents the experimental data in every time window and thus over the entire length of the experimental data set. The computed borehole properties are compared with results from existing model inversion methods including the Ground Property Measurement (GPM) software developed by Oak Ridge National Laboratory, and the Line Source Model.

Preliminary results from a four-working space, double-acting piston, Stirling engine controls model

NASA Technical Reports Server (NTRS)

Daniele, C. J.; Lorenzo, C. F.

1980-01-01

A four working space, double acting piston, Stirling engine simulation is being developed for controls studies. The development method is to construct two simulations, one for detailed fluid behavior, and a second model with simple fluid behaviour but containing the four working space aspects and engine inertias, validate these models separately, then upgrade the four working space model by incorporating the detailed fluid behaviour model for all four working spaces. The single working space (SWS) model contains the detailed fluid dynamics. It has seven control volumes in which continuity, energy, and pressure loss effects are simulated. Comparison of the SWS model with experimental data shows reasonable agreement in net power versus speed characteristics for various mean pressure levels in the working space. The four working space (FWS) model was built to observe the behaviour of the whole engine. The drive dynamics and vehicle inertia effects are simulated. To reduce calculation time, only three volumes are used in each working space and the gas temperature are fixed (no energy equation). Comparison of the FWS model predicted power with experimental data shows reasonable agreement. Since all four working spaces are simulated, the unique capabilities of the model are exercised to look at working fluid supply transients, short circuit transients, and piston ring leakage effects.

Three dimensional, non-linear, finite element analysis of compactable soil interaction with a hyperelastic wheel

NASA Astrophysics Data System (ADS)

Chiroux, Robert Charles

The objective of this research was to produce a three dimensional, non-linear, dynamic simulation of the interaction between a hyperelastic wheel rolling over compactable soil. The finite element models developed to produce the simulation utilized the ABAQUS/Explicit computer code. Within the simulation two separate bodies were modeled, the hyperelastic wheel and a compactable soil-bed. Interaction between the bodies was achieved by allowing them to come in contact but not to penetrate the contact surface. The simulation included dynamic loading of a hyperelastic, rubber tire in contact with compactable soil with an applied constant angular velocity or torque, including a tow load, applied to the wheel hub. The constraints on the wheel model produced a straight and curved path. In addition the simulation included a shear limit between the tire and soil allowing for the introduction of slip. Soil properties were simulated using the Drucker-Prager, Cap Plasticity model available within the ABAQUS/Explicit program. Numerical results obtained from the three dimensional model were compared with related experimental data and showed good correlation for similar conditions. Numerical and experimental data compared well for both stress and wheel rut formation depth under a weight of 5.8 kN and a constant angular velocity applied to the wheel hub. The simulation results provided a demonstration of the benefit of three-dimensional simulation in comparison to previous two-dimensional, plane strain simulations.

An approach to achieve progress in spacecraft shielding

NASA Astrophysics Data System (ADS)

Thoma, K.; Schäfer, F.; Hiermaier, S.; Schneider, E.

2004-01-01

Progress in shield design against space debris can be achieved only when a combined approach based on several tools is used. This approach depends on the combined application of advanced numerical methods, specific material models and experimental determination of input parameters for these models. Examples of experimental methods for material characterization are given, covering the range from quasi static to very high strain rates for materials like Nextel and carbon fiber-reinforced materials. Mesh free numerical methods have extraordinary capabilities in the simulation of extreme material behaviour including complete failure with phase changes, combined with shock wave phenomena and the interaction with structural components. In this paper the benefits from combining numerical methods, material modelling and detailed experimental studies for shield design are demonstrated. The following examples are given: (1) Development of a material model for Nextel and Kevlar-Epoxy to enable numerical simulation of hypervelocity impacts on complex heavy protection shields for the International Space Station. (2) The influence of projectile shape on protection performance of Whipple Shields and how experimental problems in accelerating such shapes can be overcome by systematic numerical simulation. (3) The benefits of using metallic foams in "sandwich bumper shields" for spacecraft and how to approach systematic characterization of such materials.

Research of laser echo signal simulator

NASA Astrophysics Data System (ADS)

Xu, Rui; Shi, Rui; Wang, Xin; Li, Zhou

2015-11-01

Laser echo signal simulator is one of the most significant components of hardware-in-the-loop (HWIL) simulation systems for LADAR. System model and time series model of laser echo signal simulator are established. Some influential factors which could induce fixed error and random error on the simulated return signals are analyzed, and then these system insertion errors are analyzed quantitatively. Using this theoretical model, the simulation system is investigated experimentally. The results corrected by subtracting fixed error indicate that the range error of the simulated laser return signal is less than 0.25m, and the distance range that the system can simulate is from 50m to 20km.

Modal simulation of gearbox vibration with experimental correlation

NASA Technical Reports Server (NTRS)

Choy, Fred K.; Ruan, Yeefeng F.; Zakrajsek, James J.; Oswald, Fred B.

1992-01-01

A newly developed global dynamic model was used to simulate the dynamics of a gear noise rig at NASA Lewis Research Center. Experimental results from the test rig were used to verify the analytical model. In this global dynamic model, the number of degrees of freedom of the system are reduced by transforming the system equations of motion into modal coordinates. The vibration of the individual gear-shaft system are coupled through the gear mesh forces. A three-dimensional, axial-lateral coupled, bearing model was used to couple the casing structural vibration to the gear-rotor dynamics. The coupled system of modal equations is solved to predict the resulting vibration at several locations on the test rig. Experimental vibration data was compared to the predictions of the global dynamic model. There is excellent agreement between the vibration results from analysis and experiment.

The kinetics of lactate production and removal during whole-body exercise

PubMed Central

2012-01-01

Background Based on a literature review, the current study aimed to construct mathematical models of lactate production and removal in both muscles and blood during steady state and at varying intensities during whole-body exercise. In order to experimentally test the models in dynamic situations, a cross-country skier performed laboratory tests while treadmill roller skiing, from where work rate, aerobic power and blood lactate concentration were measured. A two-compartment simulation model for blood lactate production and removal was constructed. Results The simulated and experimental data differed less than 0.5 mmol/L both during steady state and varying sub-maximal intensities. However, the simulation model for lactate removal after high exercise intensities seems to require further examination. Conclusions Overall, the simulation models of lactate production and removal provide useful insight into the parameters that affect blood lactate response, and specifically how blood lactate concentration during practical training and testing in dynamical situations should be interpreted. PMID:22413898

Experimental Research on the Dense CFB's Riser and the Simulation Based on the EMMS Model

NASA Astrophysics Data System (ADS)

Wang, X. Y.; Wang, S. D.; Fan, B. G.; Liao, L. L.; Jiang, F.; Xu, X.; Wu, X. Z.; Xiao, Y. H.

2010-03-01

The flow structure in the CFB (circulating fluidized bed) riser has been investigated. Experimental studies were performed in a cold square section unit with 270 mm×270 mm×10 m. Since the drag force model based on homogeneous two-phase flow such as the Gidaspow drag model could not depict the heterogeneous structures of the gas-solid flow, the structure-dependent energy-minimization multi-scale (EMMS) model based on the heterogenerity was applied in the paper and a revised drag force model based on the EMMS model was proposed. A 2D two-fluid model was used to simulate a bench-scale square cross-section riser of a cold CFB. The typical core-annulus structure and the back-mixing near the wall of the riser were observed and the assembly and fragmentation processes of clusters were captured. By comparing with the Gidaspow drag model, the results obtained by the revised drag model based on EMMS shows better consistency with the experimental data. The model can also depict the difference from the two exit configurations. This study once again proves the key role of drag force in CFD (Computational Fluid Dynamics) simulation and also shows the availability of the revised drag model to describe the gas-solid flow in CFB risers.

A Multiscale Model for the Quasi-Static Thermo-Plastic Behavior of Highly Cross-Linked Glassy Polymers

DOE PAGES

Vu-Bac, N.; Bessa, M. A.; Rabczuk, Timon; ...

2015-09-10

In this paper, we present experimentally validated molecular dynamics predictions of the quasi- static yield and post-yield behavior for a highly cross-linked epoxy polymer under gen- eral stress states and for different temperatures. In addition, a hierarchical multiscale model is presented where the nano-scale simulations obtained from molecular dynamics were homogenized to a continuum thermoplastic constitutive model for the epoxy that can be used to describe the macroscopic behavior of the material. Three major conclusions were achieved: (1) the yield surfaces generated from the nano-scale model for different temperatures agree well with the paraboloid yield crite- rion, supporting previous macroscopicmore » experimental observations; (2) rescaling of the entire yield surfaces to the quasi-static case is possible by considering Argon’s theoretical predictions for pure compression of the polymer at absolute zero temperature; (3) nano- scale simulations can be used for an experimentally-free calibration of macroscopic con- tinuum models, opening new avenues for the design of materials and structures through multi-scale simulations that provide structure-property-performance relationships.« less

Modeling of Non-Homogeneous Containment Atmosphere in the ThAI Experimental Facility Using a CFD Code

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

Babic, Miroslav; Kljenak, Ivo; Mavko, Borut

2006-07-01

The CFD code CFX4.4 was used to simulate an experiment in the ThAI facility, which was designed for investigation of thermal-hydraulic processes during a severe accident inside a Light Water Reactor containment. In the considered experiment, air was initially present in the vessel, and helium and steam were injected during different phases of the experiment at various mass flow rates and at different locations. The main purpose of the simulation was to reproduce the non-homogeneous temperature and species concentration distributions in the ThAI experimental facility. A three-dimensional model of the ThAI vessel for the CFX4.4 code was developed. The flowmore » in the simulation domain was modeled as single-phase. Steam condensation on vessel walls was modeled as a sink of mass and energy using a correlation that was originally developed for an integral approach. A simple model of bulk phase change was also introduced. The calculated time-dependent variables together with temperature and concentration distributions at the end of experiment phases are compared to experimental results. (authors)« less

Modelling mass transfer during venting/soil vapour extraction: Non-aqueous phase liquid/gas mass transfer coefficient estimation

NASA Astrophysics Data System (ADS)

Esrael, D.; Kacem, M.; Benadda, B.

2017-07-01

We investigate how the simulation of the venting/soil vapour extraction (SVE) process is affected by the mass transfer coefficient, using a model comprising five partial differential equations describing gas flow and mass conservation of phases and including an expression accounting for soil saturation conditions. In doing so, we test five previously reported quations for estimating the non-aqueous phase liquid (NAPL)/gas initial mass transfer coefficient and evaluate an expression that uses a reference NAPL saturation. Four venting/SVE experiments utilizing a sand column are performed with dry and non-saturated sand at low and high flow rates, and the obtained experimental results are subsequently simulated, revealing that hydrodynamic dispersion cannot be neglected in the estimation of the mass transfer coefficient, particularly in the case of low velocities. Among the tested models, only the analytical solution of a convection-dispersion equation and the equation proposed herein are suitable for correctly modelling the experimental results, with the developed model representing the best choice for correctly simulating the experimental results and the tailing part of the extracted gas concentration curve.

MELCOR model for an experimental 17x17 spent fuel PWR assembly.

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

Cardoni, Jeffrey

2010-11-01

A MELCOR model has been developed to simulate a pressurized water reactor (PWR) 17 x 17 assembly in a spent fuel pool rack cell undergoing severe accident conditions. To the extent possible, the MELCOR model reflects the actual geometry, materials, and masses present in the experimental arrangement for the Sandia Fuel Project (SFP). The report presents an overview of the SFP experimental arrangement, the MELCOR model specifications, demonstration calculation results, and the input model listing.

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.

On the mechanical stability of porous coated press fit titanium implants: a finite element study of a pushout test.

PubMed

Helgason, Benedikt; Viceconti, Marco; Rúnarsson, Tómas P; Brynjólfsson, Sigurour

2008-01-01

Pushout tests can be used to estimate the shear strength of the bone implant interface. Numerous such experimental studies have been published in the literature. Despite this researchers are still some way off with respect to the development of accurate numerical models to simulate implant stability. In the present work a specific experimental pushout study from the literature was simulated using two different bones implant interface models. The implant was a porous coated Ti-6Al-4V retrieved 4 weeks postoperatively from a dog model. The purpose was to find out which of the interface models could replicate the experimental results using physically meaningful input parameters. The results showed that a model based on partial bone ingrowth (ingrowth stability) is superior to an interface model based on friction and prestressing due to press fit (initial stability). Even though the present study is limited to a single experimental setup, the authors suggest that the presented methodology can be used to investigate implant stability from other experimental pushout models. This would eventually enhance the much needed understanding of the mechanical response of the bone implant interface and help to quantify how implant stability evolves with time.

Analysis of l-glutamic acid fermentation by using a dynamic metabolic simulation model of Escherichia coli

PubMed Central

2013-01-01

Background Understanding the process of amino acid fermentation as a comprehensive system is a challenging task. Previously, we developed a literature-based dynamic simulation model, which included transcriptional regulation, transcription, translation, and enzymatic reactions related to glycolysis, the pentose phosphate pathway, the tricarboxylic acid (TCA) cycle, and the anaplerotic pathway of Escherichia coli. During simulation, cell growth was defined such as to reproduce the experimental cell growth profile of fed-batch cultivation in jar fermenters. However, to confirm the biological appropriateness of our model, sensitivity analysis and experimental validation were required. Results We constructed an l-glutamic acid fermentation simulation model by removing sucAB, a gene encoding α-ketoglutarate dehydrogenase. We then performed systematic sensitivity analysis for l-glutamic acid production; the results of this process corresponded with previous experimental data regarding l-glutamic acid fermentation. Furthermore, it allowed us to predicted the possibility that accumulation of 3-phosphoglycerate in the cell would regulate the carbon flux into the TCA cycle and lead to an increase in the yield of l-glutamic acid via fermentation. We validated this hypothesis through a fermentation experiment involving a model l-glutamic acid-production strain, E. coli MG1655 ΔsucA in which the phosphoglycerate kinase gene had been amplified to cause accumulation of 3-phosphoglycerate. The observed increase in l-glutamic acid production verified the biologically meaningful predictive power of our dynamic metabolic simulation model. Conclusions In this study, dynamic simulation using a literature-based model was shown to be useful for elucidating the precise mechanisms involved in fermentation processes inside the cell. Further exhaustive sensitivity analysis will facilitate identification of novel factors involved in the metabolic regulation of amino acid fermentation. PMID:24053676

Analysis of L-glutamic acid fermentation by using a dynamic metabolic simulation model of Escherichia coli.

PubMed

Nishio, Yousuke; Ogishima, Soichi; Ichikawa, Masao; Yamada, Yohei; Usuda, Yoshihiro; Masuda, Tadashi; Tanaka, Hiroshi

2013-09-22

Understanding the process of amino acid fermentation as a comprehensive system is a challenging task. Previously, we developed a literature-based dynamic simulation model, which included transcriptional regulation, transcription, translation, and enzymatic reactions related to glycolysis, the pentose phosphate pathway, the tricarboxylic acid (TCA) cycle, and the anaplerotic pathway of Escherichia coli. During simulation, cell growth was defined such as to reproduce the experimental cell growth profile of fed-batch cultivation in jar fermenters. However, to confirm the biological appropriateness of our model, sensitivity analysis and experimental validation were required. We constructed an L-glutamic acid fermentation simulation model by removing sucAB, a gene encoding α-ketoglutarate dehydrogenase. We then performed systematic sensitivity analysis for L-glutamic acid production; the results of this process corresponded with previous experimental data regarding L-glutamic acid fermentation. Furthermore, it allowed us to predicted the possibility that accumulation of 3-phosphoglycerate in the cell would regulate the carbon flux into the TCA cycle and lead to an increase in the yield of L-glutamic acid via fermentation. We validated this hypothesis through a fermentation experiment involving a model L-glutamic acid-production strain, E. coli MG1655 ΔsucA in which the phosphoglycerate kinase gene had been amplified to cause accumulation of 3-phosphoglycerate. The observed increase in L-glutamic acid production verified the biologically meaningful predictive power of our dynamic metabolic simulation model. In this study, dynamic simulation using a literature-based model was shown to be useful for elucidating the precise mechanisms involved in fermentation processes inside the cell. Further exhaustive sensitivity analysis will facilitate identification of novel factors involved in the metabolic regulation of amino acid fermentation.

Standing wave design and experimental validation of a tandem simulated moving bed process for insulin purification.

PubMed

Xie, Yi; Mun, Sungyong; Kim, Jinhyun; Wang, Nien-Hwa Linda

2002-01-01

A tandem simulated moving bed (SMB) process for insulin purification has been proposed and validated experimentally. The mixture to be separated consists of insulin, high molecular weight proteins, and zinc chloride. A systematic approach based on the standing wave design, rate model simulations, and experiments was used to develop this multicomponent separation process. The standing wave design was applied to specify the SMB operating conditions of a lab-scale unit with 10 columns. The design was validated with rate model simulations prior to experiments. The experimental results show 99.9% purity and 99% yield, which closely agree with the model predictions and the standing wave design targets. The agreement proves that the standing wave design can ensure high purity and high yield for the tandem SMB process. Compared to a conventional batch SEC process, the tandem SMB has 10% higher yield, 400% higher throughput, and 72% lower eluant consumption. In contrast, a design that ignores the effects of mass transfer and nonideal flow cannot meet the purity requirement and gives less than 96% yield.

A 100 kW experimental wind turbine: Simulation of starting, overspeed, and shutdown characteristics

NASA Technical Reports Server (NTRS)

Gilbert, L. J.

1976-01-01

The ERDA/NASA 100 kW experimental wind turbine is modeled on a digital computer in order to study the performance of a wind turbine under operating conditions. Simulation studies of starting, overspeed, and shutdown performance were made. From these studies operating procedures, precautions, and limitations are prescribed.

Carbon nanotube thin film strain sensors: comparison between experimental tests and numerical simulations

NASA Astrophysics Data System (ADS)

Lee, Bo Mi; Loh, Kenneth J.

2017-04-01

Carbon nanotubes can be randomly deposited in polymer thin film matrices to form nanocomposite strain sensors. However, a computational framework that enables the direct design of these nanocomposite thin films is still lacking. The objective of this study is to derive an experimentally validated and two-dimensional numerical model of carbon nanotube-based thin film strain sensors. This study consisted of two parts. First, multi-walled carbon nanotube (MWCNT)-Pluronic strain sensors were fabricated using vacuum filtration, and their physical, electrical, and electromechanical properties were evaluated. Second, scanning electron microscope images of the films were used for identifying topological features of the percolated MWCNT network, where the information obtained was then utilized for developing the numerical model. Validation of the numerical model was achieved by ensuring that the area ratios (of MWCNTs relative to the polymer matrix) were equivalent for both the experimental and modeled cases. Strain sensing behavior of the percolation-based model was simulated and then compared to experimental test results.

Subject specific finite element modeling of periprosthetic femoral fracture using element deactivation to simulate bone failure.

PubMed

Miles, Brad; Kolos, Elizabeth; Walter, William L; Appleyard, Richard; Shi, Angela; Li, Qing; Ruys, Andrew J

2015-06-01

Subject-specific finite element (FE) modeling methodology could predict peri-prosthetic femoral fracture (PFF) for cementless hip arthoplasty in the early postoperative period. This study develops methodology for subject-specific finite element modeling by using the element deactivation technique to simulate bone failure and validate with experimental testing, thereby predicting peri-prosthetic femoral fracture in the early postoperative period. Material assignments for biphasic and triphasic models were undertaken. Failure modeling with the element deactivation feature available in ABAQUS 6.9 was used to simulate a crack initiation and propagation in the bony tissue based upon a threshold of fracture strain. The crack mode for the biphasic models was very similar to the experimental testing crack mode, with a similar shape and path of the crack. The fracture load is sensitive to the friction coefficient at the implant-bony interface. The development of a novel technique to simulate bone failure by element deactivation of subject-specific finite element models could aid prediction of fracture load in addition to fracture risk characterization for PFF. Copyright © 2015 IPEM. Published by Elsevier Ltd. All rights reserved.

A Microstructure-Based Constitutive Model for Superplastic Forming

NASA Astrophysics Data System (ADS)

Jafari Nedoushan, Reza; Farzin, Mahmoud; Mashayekhi, Mohammad; Banabic, Dorel

2012-11-01

A constitutive model is proposed for simulations of hot metal forming processes. This model is constructed based on dominant mechanisms that take part in hot forming and includes intergranular deformation, grain boundary sliding, and grain boundary diffusion. A Taylor type polycrystalline model is used to predict intergranular deformation. Previous works on grain boundary sliding and grain boundary diffusion are extended to drive three-dimensional macro stress-strain rate relationships for each mechanism. In these relationships, the effect of grain size is also taken into account. The proposed model is first used to simulate step strain-rate tests and the results are compared with experimental data. It is shown that the model can be used to predict flow stresses for various grain sizes and strain rates. The yield locus is then predicted for multiaxial stress states, and it is observed that it is very close to the von Mises yield criterion. It is also shown that the proposed model can be directly used to simulate hot forming processes. Bulge forming process and gas pressure tray forming are simulated, and the results are compared with experimental data.

A high-resolution integrated model of the National Ignition Campaign cryogenic layered experiments

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

Jones, O. S.; Cerjan, C. J.; Marinak, M. M.

A detailed simulation-based model of the June 2011 National Ignition Campaign cryogenic DT experiments is presented. The model is based on integrated hohlraum-capsule simulations that utilize the best available models for the hohlraum wall, ablator, and DT equations of state and opacities. The calculated radiation drive was adjusted by changing the input laser power to match the experimentally measured shock speeds, shock merger times, peak implosion velocity, and bangtime. The crossbeam energy transfer model was tuned to match the measured time-dependent symmetry. Mid-mode mix was included by directly modeling the ablator and ice surface perturbations up to mode 60. Simulatedmore » experimental values were extracted from the simulation and compared against the experiment. Although by design the model is able to reproduce the 1D in-flight implosion parameters and low-mode asymmetries, it is not able to accurately predict the measured and inferred stagnation properties and levels of mix. In particular, the measured yields were 15%-40% of the calculated yields, and the inferred stagnation pressure is about 3 times lower than simulated.« less

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.

A multiscale strength model for tantalum over an extended range of strain rates

NASA Astrophysics Data System (ADS)

Barton, N. R.; Rhee, M.

2013-09-01

A strength model for tantalum is developed and exercised across a range of conditions relevant to various types of experimental observations. The model is based on previous multiscale modeling work combined with experimental observations. As such, the model's parameterization includes a hybrid of quantities that arise directly from predictive sub-scale physics models and quantities that are adjusted to align the model with experimental observations. Given current computing and experimental limitations, the response regions for sub-scale physics simulations and detailed experimental observations have been largely disjoint. In formulating the new model and presenting results here, attention is paid to integrated experimental observations that probe strength response at the elevated strain rates where a previous version of the model has generally been successful in predicting experimental data [Barton et al., J. Appl. Phys. 109(7), 073501 (2011)].

Simulation of nitrous oxide effluxes, crop yields and soil physical properties using the LandscapeDNDC model in managed ecosystem

NASA Astrophysics Data System (ADS)

Nyckowiak, Jedrzej; Lesny, Jacek; Haas, Edwin; Juszczak, Radoslaw; Kiese, Ralf; Butterbach-Bahl, Klaus; Olejnik, Janusz

2014-05-01

Modeling of nitrous oxide emissions from soil is very complex. Many different biological and chemical processes take place in soils which determine the amount of emitted nitrous oxide. Additionaly, biogeochemical models contain many detailed factors which may determine fluxes and other simulated variables. We used the LandscapeDNDC model in order to simulate N2O emissions, crop yields and soil physical properties from mineral cultivated soils in Poland. Nitrous oxide emissions from soils were modeled for fields with winter wheat, winter rye, spring barley, triticale, potatoes and alfalfa crops. Simulations were carried out for the plots of the Brody arable experimental station of Poznan University of Life Science in western Poland and covered the period 2003 - 2012. The model accuracy and its efficiency was determined by comparing simulations result with measurements of nitrous oxide emissions (measured with static chambers) from about 40 field campaigns. N2O emissions are strongly dependent on temperature and soil water content, hence we compared also simulated soil temperature at 10cm depth and soil water content at the same depth with the daily measured values of these driving variables. We compared also simulated yield quantities for each individual experimental plots with yield quantities which were measured in the period 2003-2012. We conclude that the LandscapeDNDC model is capable to simulate soil N2O emissions, crop yields and physical properties of soil with satisfactorily good accuracy and efficiency.

Computer modeling and simulation of human movement. Applications in sport and rehabilitation.

PubMed

Neptune, R R

2000-05-01

Computer modeling and simulation of human movement plays an increasingly important role in sport and rehabilitation, with applications ranging from sport equipment design to understanding pathologic gait. The complex dynamic interactions within the musculoskeletal and neuromuscular systems make analyzing human movement with existing experimental techniques difficult but computer modeling and simulation allows for the identification of these complex interactions and causal relationships between input and output variables. This article provides an overview of computer modeling and simulation and presents an example application in the field of rehabilitation.

Pore-scale and continuum simulations of solute transport micromodel benchmark experiments

DOE PAGES

Oostrom, M.; Mehmani, Y.; Romero-Gomez, P.; ...

2014-06-18

Four sets of nonreactive solute transport experiments were conducted with micromodels. Three experiments with one variable, i.e., flow velocity, grain diameter, pore-aspect ratio, and flow-focusing heterogeneity were in each set. The data sets were offered to pore-scale modeling groups to test their numerical simulators. Each set consisted of two learning experiments, for which our results were made available, and one challenge experiment, for which only the experimental description and base input parameters were provided. The experimental results showed a nonlinear dependence of the transverse dispersion coefficient on the Peclet number, a negligible effect of the pore-aspect ratio on transverse mixing,more » and considerably enhanced mixing due to flow focusing. Five pore-scale models and one continuum-scale model were used to simulate the experiments. Of the pore-scale models, two used a pore-network (PN) method, two others are based on a lattice Boltzmann (LB) approach, and one used a computational fluid dynamics (CFD) technique. Furthermore, we used the learning experiments, by the PN models, to modify the standard perfect mixing approach in pore bodies into approaches to simulate the observed incomplete mixing. The LB and CFD models used the learning experiments to appropriately discretize the spatial grid representations. For the continuum modeling, the required dispersivity input values were estimated based on published nonlinear relations between transverse dispersion coefficients and Peclet number. Comparisons between experimental and numerical results for the four challenge experiments show that all pore-scale models were all able to satisfactorily simulate the experiments. The continuum model underestimated the required dispersivity values, resulting in reduced dispersion. The PN models were able to complete the simulations in a few minutes, whereas the direct models, which account for the micromodel geometry and underlying flow and transport physics, needed up to several days on supercomputers to resolve the more complex problems.« less

A novel left heart simulator for the multi-modality characterization of native mitral valve geometry and fluid mechanics.

PubMed

Rabbah, Jean-Pierre; Saikrishnan, Neelakantan; Yoganathan, Ajit P

2013-02-01

Numerical models of the mitral valve have been used to elucidate mitral valve function and mechanics. These models have evolved from simple two-dimensional approximations to complex three-dimensional fully coupled fluid structure interaction models. However, to date these models lack direct one-to-one experimental validation. As computational solvers vary considerably, experimental benchmark data are critically important to ensure model accuracy. In this study, a novel left heart simulator was designed specifically for the validation of numerical mitral valve models. Several distinct experimental techniques were collectively performed to resolve mitral valve geometry and hemodynamics. In particular, micro-computed tomography was used to obtain accurate and high-resolution (39 μm voxel) native valvular anatomy, which included the mitral leaflets, chordae tendinae, and papillary muscles. Three-dimensional echocardiography was used to obtain systolic leaflet geometry. Stereoscopic digital particle image velocimetry provided all three components of fluid velocity through the mitral valve, resolved every 25 ms in the cardiac cycle. A strong central filling jet (V ~ 0.6 m/s) was observed during peak systole with minimal out-of-plane velocities. In addition, physiologic hemodynamic boundary conditions were defined and all data were synchronously acquired through a central trigger. Finally, the simulator is a precisely controlled environment, in which flow conditions and geometry can be systematically prescribed and resultant valvular function and hemodynamics assessed. Thus, this work represents the first comprehensive database of high fidelity experimental data, critical for extensive validation of mitral valve fluid structure interaction simulations.

A Novel Left Heart Simulator for the Multi-modality Characterization of Native Mitral Valve Geometry and Fluid Mechanics

PubMed Central

Rabbah, Jean-Pierre; Saikrishnan, Neelakantan; Yoganathan, Ajit P.

2012-01-01

Numerical models of the mitral valve have been used to elucidate mitral valve function and mechanics. These models have evolved from simple two-dimensional approximations to complex three-dimensional fully coupled fluid structure interaction models. However, to date these models lack direct one-to-one experimental validation. As computational solvers vary considerably, experimental benchmark data are critically important to ensure model accuracy. In this study, a novel left heart simulator was designed specifically for the validation of numerical mitral valve models. Several distinct experimental techniques were collectively performed to resolve mitral valve geometry and hemodynamics. In particular, micro-computed tomography was used to obtain accurate and high-resolution (39 µm voxel) native valvular anatomy, which included the mitral leaflets, chordae tendinae, and papillary muscles. Threedimensional echocardiography was used to obtain systolic leaflet geometry for direct comparison of resultant leaflet kinematics. Stereoscopic digital particle image velocimetry provided all three components of fluid velocity through the mitral valve, resolved every 25 ms in the cardiac cycle. A strong central filling jet was observed during peak systole, with minimal out-of-plane velocities (V~0.6m/s). In addition, physiologic hemodynamic boundary conditions were defined and all data were synchronously acquired through a central trigger. Finally, the simulator is a precisely controlled environment, in which flow conditions and geometry can be systematically prescribed and resultant valvular function and hemodynamics assessed. Thus, these data represent the first comprehensive database of high fidelity experimental data, critical for extensive validation of mitral valve fluid structure interaction simulations. PMID:22965640

Simulation and measurement of a Ka-band HTS MMIC Josephson junction mixer

NASA Astrophysics Data System (ADS)

Zhang, Ting; Pegrum, Colin; Du, Jia; Guo, Yingjie Jay

2017-01-01

We report modeling and simulation results for a Ka band high-temperature superconducting (HTS) monolithic microwave integrated circuit (MMIC) Josephson junction mixer. A Verilog-A model of a Josephson junction is established and imported into the system simulator to realize a full HTS MMIC circuit simulation containing the HTS passive circuit models. Impedance matching optimization between the junction and passive devices is investigated. Junction DC I-V characteristics, current and local oscillator bias conditions and mixing performance are simulated and compared with the experimental results. Good agreement is obtained between the simulation and measurement results.

Simulated maximum likelihood method for estimating kinetic rates in gene expression.

PubMed

Tian, Tianhai; Xu, Songlin; Gao, Junbin; Burrage, Kevin

2007-01-01

Kinetic rate in gene expression is a key measurement of the stability of gene products and gives important information for the reconstruction of genetic regulatory networks. Recent developments in experimental technologies have made it possible to measure the numbers of transcripts and protein molecules in single cells. Although estimation methods based on deterministic models have been proposed aimed at evaluating kinetic rates from experimental observations, these methods cannot tackle noise in gene expression that may arise from discrete processes of gene expression, small numbers of mRNA transcript, fluctuations in the activity of transcriptional factors and variability in the experimental environment. In this paper, we develop effective methods for estimating kinetic rates in genetic regulatory networks. The simulated maximum likelihood method is used to evaluate parameters in stochastic models described by either stochastic differential equations or discrete biochemical reactions. Different types of non-parametric density functions are used to measure the transitional probability of experimental observations. For stochastic models described by biochemical reactions, we propose to use the simulated frequency distribution to evaluate the transitional density based on the discrete nature of stochastic simulations. The genetic optimization algorithm is used as an efficient tool to search for optimal reaction rates. Numerical results indicate that the proposed methods can give robust estimations of kinetic rates with good accuracy.

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

Application of a computational glass model to the shock response of soda-lime glass

DOE PAGES

Gorfain, Joshua E.; Key, Christopher T.; Alexander, C. Scott

2016-04-20

This article details the implementation and application of the glass-specific computational constitutive model by Holmquist and Johnson [1] to simulate the dynamic response of soda-lime glass under high rate and high pressure shock conditions. The predictive capabilities of this model are assessed through comparison of experimental data with numerical results from computations using the CTH shock physics code. The formulation of this glass model is reviewed in the context of its implementation within CTH. Using a variety of experimental data compiled from the open literature, a complete parameterization of the model describing the observed behavior of soda-lime glass is developed.more » Simulation results using the calibrated soda-lime glass model are compared to flyer plate and Taylor rod impact experimental data covering a range of impact and failure conditions spanning an order of magnitude in velocity and pressure. In conclusion, the complex behavior observed in the experimental testing is captured well in the computations, demonstrating the capability of the glass model within CTH.« less

Advanced Hybrid Modeling of Hall Thruster Plumes

DTIC Science & Technology

2010-06-16

Hall thruster operated in the Large Vacuum Test Facility at the University of Michigan. The approach utilizes the direct simulation Monte Carlo method and the Particle-in-Cell method to simulate the collision and plasma dynamics of xenon neutrals and ions. The electrons are modeled as a fluid using conservation equations. A second code is employed to model discharge chamber behavior to provide improved input conditions at the thruster exit for the plume simulation. Simulation accuracy is assessed using experimental data previously

Design of a rapid magnetic microfluidic mixer

NASA Astrophysics Data System (ADS)

Ballard, Matthew; Owen, Drew; Mills, Zachary Grant; Hanasoge, Srinivas; Hesketh, Peter; Alexeev, Alexander

2015-11-01

Using three-dimensional simulations and experiments, we demonstrate rapid mixing of fluid streams in a microchannel using orbiting magnetic microbeads. We use a lattice Boltzmann model coupled to a Brownian dynamics model to perform numerical simulations that study in depth the effect of system parameters such as channel configuration and fluid and bead velocities. We use our findings to aid the design of an experimental micromixer. Using this experimental device, we demonstrate rapid microfluidic mixing over a compact channel length, and validate our numerical simulation results. Finally, we use numerical simulations to study the physical mechanisms leading to microfluidic mixing in our system. Our findings demonstrate a promising method of rapid microfluidic mixing over a short distance, with applications in lab-on-a-chip sample testing.

Simulation of high SNR photodetector with L-C coupling and transimpedance amplifier circuit and its verification

NASA Astrophysics Data System (ADS)

Wang, Shaofeng; Xiang, Xiao; Zhou, Conghua; Zhai, Yiwei; Quan, Runai; Wang, Mengmeng; Hou, Feiyan; Zhang, Shougang; Dong, Ruifang; Liu, Tao

2017-01-01

In this paper, a model for simulating the optical response and noise performances of photodetectors with L-C coupling and transimpedance amplification circuit is presented. To verify the simulation, two kinds of photodetectors, which are based on the same printed-circuit-board (PCB) designing and PIN photodiode but different operational amplifiers, are developed and experimentally investigated. Through the comparisons between the numerical simulation results and the experimentally obtained data, excellent agreements are achieved, which show that the model provides a highly efficient guide for the development of a high signal to noise ratio photodetector. Furthermore, the parasite capacitances on the developed PCB, which are always hardly measured but play a non-negligible influence on the photodetectors' performances, are estimated.

Simulation of high SNR photodetector with L-C coupling and transimpedance amplifier circuit and its verification.

PubMed

Wang, Shaofeng; Xiang, Xiao; Zhou, Conghua; Zhai, Yiwei; Quan, Runai; Wang, Mengmeng; Hou, Feiyan; Zhang, Shougang; Dong, Ruifang; Liu, Tao

2017-01-01

In this paper, a model for simulating the optical response and noise performances of photodetectors with L-C coupling and transimpedance amplification circuit is presented. To verify the simulation, two kinds of photodetectors, which are based on the same printed-circuit-board (PCB) designing and PIN photodiode but different operational amplifiers, are developed and experimentally investigated. Through the comparisons between the numerical simulation results and the experimentally obtained data, excellent agreements are achieved, which show that the model provides a highly efficient guide for the development of a high signal to noise ratio photodetector. Furthermore, the parasite capacitances on the developed PCB, which are always hardly measured but play a non-negligible influence on the photodetectors' performances, are estimated.

Comparison of Numerically Simulated and Experimentally Measured Performance of a Rotating Detonation Engine

NASA Technical Reports Server (NTRS)

Paxson, Daniel E.; Fotia, Matthew L.; Hoke, John; Schauer, Fred

2015-01-01

A quasi-two-dimensional, computational fluid dynamic (CFD) simulation of a rotating detonation engine (RDE) is described. The simulation operates in the detonation frame of reference and utilizes a relatively coarse grid such that only the essential primary flow field structure is captured. This construction and other simplifications yield rapidly converging, steady solutions. Viscous effects, and heat transfer effects are modeled using source terms. The effects of potential inlet flow reversals are modeled using boundary conditions. Results from the simulation are compared to measured data from an experimental RDE rig with a converging-diverging nozzle added. The comparison is favorable for the two operating points examined. The utility of the code as a performance optimization tool and a diagnostic tool are discussed.

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

Aagesen, Larry K.; Coltrin, Michael Elliott; Han, Jung

Three-dimensional phase-field simulations of GaN growth by selective area epitaxy were performed. Furthermore, this model includes a crystallographic-orientation-dependent deposition rate and arbitrarily complex mask geometries. The orientation-dependent deposition rate can be determined from experimental measurements of the relative growth rates of low-index crystallographic facets. Growth on various complex mask geometries was simulated on both c-plane and a-plane template layers. Agreement was observed between simulations and experiment, including complex phenomena occurring at the intersections between facets. The sources of the discrepancies between simulated and experimental morphologies were also investigated. We found that the model provides a route to optimize masks andmore » processing conditions during materials synthesis for solar cells, light-emitting diodes, and other electronic and opto-electronic applications.« less

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

Aagesen, Larry K.; Thornton, Katsuyo, E-mail: kthorn@umich.edu; Coltrin, Michael E.

Three-dimensional phase-field simulations of GaN growth by selective area epitaxy were performed. The model includes a crystallographic-orientation-dependent deposition rate and arbitrarily complex mask geometries. The orientation-dependent deposition rate can be determined from experimental measurements of the relative growth rates of low-index crystallographic facets. Growth on various complex mask geometries was simulated on both c-plane and a-plane template layers. Agreement was observed between simulations and experiment, including complex phenomena occurring at the intersections between facets. The sources of the discrepancies between simulated and experimental morphologies were also investigated. The model provides a route to optimize masks and processing conditions during materialsmore » synthesis for solar cells, light-emitting diodes, and other electronic and opto-electronic applications.« less

CFD Modeling of a CFB Riser Using Improved Inlet Boundary Conditions

NASA Astrophysics Data System (ADS)

Peng, B. T.; Zhang, C.; Zhu, J. X.; Qi, X. B.

2010-03-01

A computational fluid dynamics (CFD) model based on Eulerian-Eulerian approach coupled with granular kinetics theory was adopted to investigate the hydrodynamics and flow structures in a circulating fluidized bed (CFB) riser column. A new approach to specify the inlet boundary conditions was proposed in this study to simulate gas-solids flow in CFB risers more accurately. Simulation results were compared with the experimental data, and good agreement between the numerical results and experimental data was observed under different operating conditions, which indicates the effectiveness and accuracy of the CFD model with the proposed inlet boundary conditions. The results also illustrate a clear core annulus structure in the CFB riser under all operating conditions both experimentally and numerically.

Semi-physiologic model validation and bioequivalence trials simulation to select the best analyte for acetylsalicylic acid.

PubMed

Cuesta-Gragera, Ana; Navarro-Fontestad, Carmen; Mangas-Sanjuan, Victor; González-Álvarez, Isabel; García-Arieta, Alfredo; Trocóniz, Iñaki F; Casabó, Vicente G; Bermejo, Marival

2015-07-10

The objective of this paper is to apply a previously developed semi-physiologic pharmacokinetic model implemented in NONMEM to simulate bioequivalence trials (BE) of acetyl salicylic acid (ASA) in order to validate the model performance against ASA human experimental data. ASA is a drug with first-pass hepatic and intestinal metabolism following Michaelis-Menten kinetics that leads to the formation of two main metabolites in two generations (first and second generation metabolites). The first aim was to adapt the semi-physiological model for ASA in NOMMEN using ASA pharmacokinetic parameters from literature, showing its sequential metabolism. The second aim was to validate this model by comparing the results obtained in NONMEM simulations with published experimental data at a dose of 1000 mg. The validated model was used to simulate bioequivalence trials at 3 dose schemes (100, 1000 and 3000 mg) and with 6 test formulations with decreasing in vivo dissolution rate constants versus the reference formulation (kD 8-0.25 h (-1)). Finally, the third aim was to determine which analyte (parent drug, first generation or second generation metabolite) was more sensitive to changes in formulation performance. The validation results showed that the concentration-time curves obtained with the simulations reproduced closely the published experimental data, confirming model performance. The parent drug (ASA) was the analyte that showed to be more sensitive to the decrease in pharmaceutical quality, with the highest decrease in Cmax and AUC ratio between test and reference formulations. Copyright © 2015 Elsevier B.V. All rights reserved.

Discrete event simulation tool for analysis of qualitative models of continuous processing systems

NASA Technical Reports Server (NTRS)

Malin, Jane T. (Inventor); Basham, Bryan D. (Inventor); Harris, Richard A. (Inventor)

1990-01-01

An artificial intelligence design and qualitative modeling tool is disclosed for creating computer models and simulating continuous activities, functions, and/or behavior using developed discrete event techniques. Conveniently, the tool is organized in four modules: library design module, model construction module, simulation module, and experimentation and analysis. The library design module supports the building of library knowledge including component classes and elements pertinent to a particular domain of continuous activities, functions, and behavior being modeled. The continuous behavior is defined discretely with respect to invocation statements, effect statements, and time delays. The functionality of the components is defined in terms of variable cluster instances, independent processes, and modes, further defined in terms of mode transition processes and mode dependent processes. Model construction utilizes the hierarchy of libraries and connects them with appropriate relations. The simulation executes a specialized initialization routine and executes events in a manner that includes selective inherency of characteristics through a time and event schema until the event queue in the simulator is emptied. The experimentation and analysis module supports analysis through the generation of appropriate log files and graphics developments and includes the ability of log file comparisons.

A Progressive Damage Model for unidirectional Fibre Reinforced Composites with Application to Impact and Penetration Simulation

NASA Astrophysics Data System (ADS)

Kerschbaum, M.; Hopmann, C.

2016-06-01

The computationally efficient simulation of the progressive damage behaviour of continuous fibre reinforced plastics is still a challenging task with currently available computer aided engineering methods. This paper presents an original approach for an energy based continuum damage model which accounts for stress-/strain nonlinearities, transverse and shear stress interaction phenomena, quasi-plastic shear strain components, strain rate effects, regularised damage evolution and consideration of load reversal effects. The physically based modelling approach enables experimental determination of all parameters on ply level to avoid expensive inverse analysis procedures. The modelling strategy, implementation and verification of this model using commercially available explicit finite element software are detailed. The model is then applied to simulate the impact and penetration of carbon fibre reinforced cross-ply specimens with variation of the impact speed. The simulation results show that the presented approach enables a good representation of the force-/displacement curves and especially well agreement with the experimentally observed fracture patterns. In addition, the mesh dependency of the results were assessed for one impact case showing only very little change of the simulation results which emphasises the general applicability of the presented method.

Computational modeling to predict mechanical function of joints: application to the lower leg with simulation of two cadaver studies.

PubMed

Liacouras, Peter C; Wayne, Jennifer S

2007-12-01

Computational models of musculoskeletal joints and limbs can provide useful information about joint mechanics. Validated models can be used as predictive devices for understanding joint function and serve as clinical tools for predicting the outcome of surgical procedures. A new computational modeling approach was developed for simulating joint kinematics that are dictated by bone/joint anatomy, ligamentous constraints, and applied loading. Three-dimensional computational models of the lower leg were created to illustrate the application of this new approach. Model development began with generating three-dimensional surfaces of each bone from CT images and then importing into the three-dimensional solid modeling software SOLIDWORKS and motion simulation package COSMOSMOTION. Through SOLIDWORKS and COSMOSMOTION, each bone surface file was filled to create a solid object and positioned necessary components added, and simulations executed. Three-dimensional contacts were added to inhibit intersection of the bones during motion. Ligaments were represented as linear springs. Model predictions were then validated by comparison to two different cadaver studies, syndesmotic injury and repair and ankle inversion following ligament transection. The syndesmotic injury model was able to predict tibial rotation, fibular rotation, and anterior/posterior displacement. In the inversion simulation, calcaneofibular ligament extension and angles of inversion compared well. Some experimental data proved harder to simulate accurately, due to certain software limitations and lack of complete experimental data. Other parameters that could not be easily obtained experimentally can be predicted and analyzed by the computational simulations. In the syndesmotic injury study, the force generated in the tibionavicular and calcaneofibular ligaments reduced with the insertion of the staple, indicating how this repair technique changes joint function. After transection of the calcaneofibular ligament in the inversion stability study, a major increase in force was seen in several of the ligaments on the lateral aspect of the foot and ankle, indicating the recruitment of other structures to permit function after injury. Overall, the computational models were able to predict joint kinematics of the lower leg with particular focus on the ankle complex. This same approach can be taken to create models of other limb segments such as the elbow and wrist. Additional parameters can be calculated in the models that are not easily obtained experimentally such as ligament forces, force transmission across joints, and three-dimensional movement of all bones. Muscle activation can be incorporated in the model through the action of applied forces within the software for future studies.

Modelling, Simulation and Construction of a DC/DC Boost Power Converter: A School Experimental System

ERIC Educational Resources Information Center

Silva-Ortigoza, R.; Silva-Ortigoza, G.; Hernandez-Guzman, V. M.; Saldana-Gonzalez, G.; Marcelino-Aranda, M.; Marciano-Melchor, M.

2012-01-01

We introduce a dc/dc boost power converter as a didactic prototype intended to support courses on electric circuit analysis experimentally. The corresponding mathematical model is obtained, the converter is designed and an experimental setup is described, constructed and tested. Simplicity of construction as well as low cost of components renders…

Using Numerical Modeling to Simulate Space Capsule Ground Landings

NASA Technical Reports Server (NTRS)

Heymsfield, Ernie; Fasanella, Edwin L.

2009-01-01

Experimental work is being conducted at the National Aeronautics and Space Administration s (NASA) Langley Research Center (LaRC) to investigate ground landing capabilities of the Orion crew exploration vehicle (CEV). The Orion capsule is NASA s replacement for the Space Shuttle. The Orion capsule will service the International Space Station and be used for future space missions to the Moon and to Mars. To evaluate the feasibility of Orion ground landings, a series of capsule impact tests are being performed at the NASA Langley Landing and Impact Research Facility (LandIR). The experimental results derived at LandIR provide means to validate and calibrate nonlinear dynamic finite element models, which are also being developed during this study. Because of the high cost and time involvement intrinsic to full-scale testing, numerical simulations are favored over experimental work. Subsequent to a numerical model validated by actual test responses, impact simulations will be conducted to study multiple impact scenarios not practical to test. Twenty-one swing tests using the LandIR gantry were conducted during the June 07 through October 07 time period to evaluate the Orion s impact response. Results for two capsule initial pitch angles, 0deg and -15deg , along with their computer simulations using LS-DYNA are presented in this article. A soil-vehicle friction coefficient of 0.45 was determined by comparing the test stopping distance with computer simulations. In addition, soil modeling accuracy is presented by comparing vertical penetrometer impact tests with computer simulations for the soil model used during the swing tests.

Experimental and simulation study of a Gaseous oxygen/Gaseous hydrogen vortex cooling thrust chamber

NASA Astrophysics Data System (ADS)

Yu, Nanjia; Zhao, Bo; Li, Gongnan; Wang, Jue

2016-01-01

In this paper, RNG k-ε turbulence model and PDF non-premixed combustion model are used to simulate the influence of the diameter of the ring of hydrogen injectors and oxidizer-to-fuel ratio on the specific impulse of the vortex cooling thrust chamber. The simulation results and the experimental tests of a 2000 N Gaseous oxygen/Gaseous hydrogen vortex cooling thrust chamber reveal that the efficiency of the specific impulse improves significantly with increasing of the diameter of the ring of hydrogen injectors. Moreover, the optimum efficiency of the specific impulse is obtained when the oxidizer-to-fuel ratio is near the stoichiometric ratio.

Comparison between phase field simulations and experimental data from intragranular bubble growth in UO{sub 2}

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

Tonks, M. R.; Biner, S. B.; Mille, P. C.

2013-07-01

In this work, we used the phase field method to simulate the post-irradiation annealing of UO{sub 2} described in the experimental work by Kashibe et al., 1993 [1]. The simulations were carried out in 2D and 3D using the MARMOT FEM-based phase-field modeling framework. The 2-D results compared fairly well with the experiments, in spite of the assumptions made in the model. The 3-D results compare even more favorably to experiments, indicating that diffusion in all three directions must be considered to accurate represent the bubble growth. (authors)

Small-scale multi-axial hybrid simulation of a shear-critical reinforced concrete frame

NASA Astrophysics Data System (ADS)

Sadeghian, Vahid; Kwon, Oh-Sung; Vecchio, Frank

2017-10-01

This study presents a numerical multi-scale simulation framework which is extended to accommodate hybrid simulation (numerical-experimental integration). The framework is enhanced with a standardized data exchange format and connected to a generalized controller interface program which facilitates communication with various types of laboratory equipment and testing configurations. A small-scale experimental program was conducted using a six degree-of-freedom hydraulic testing equipment to verify the proposed framework and provide additional data for small-scale testing of shearcritical reinforced concrete structures. The specimens were tested in a multi-axial hybrid simulation manner under a reversed cyclic loading condition simulating earthquake forces. The physical models were 1/3.23-scale representations of a beam and two columns. A mixed-type modelling technique was employed to analyze the remainder of the structures. The hybrid simulation results were compared against those obtained from a large-scale test and finite element analyses. The study found that if precautions are taken in preparing model materials and if the shear-related mechanisms are accurately considered in the numerical model, small-scale hybrid simulations can adequately simulate the behaviour of shear-critical structures. Although the findings of the study are promising, to draw general conclusions additional test data are required.

An Integrated Study on a Novel High Temperature High Entropy Alloy

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

Yang, Shizhong

2016-12-31

This report summarizes our recent works of theoretical modeling, simulation, and experimental validation of the simulation results on the new refractory high entropy alloy (HEA) design and oxide doped refractory HEA research. The simulation of the stability and thermal dynamics simulation on potential thermal stable candidates were performed and related HEA with oxide doped samples were synthesized and characterized. The HEA ab initio density functional theory and molecular dynamics physical property simulation methods and experimental texture validation techniques development, achievements already reached, course work development, students and postdoc training, and future improvement research directions are briefly introduced.

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.

Atmosphere behavior in gas-closed mouse-algal systems - An experimental and modelling study

NASA Technical Reports Server (NTRS)

Averner, M. M.; Moore, B., III; Bartholomew, I.; Wharton, R.

1984-01-01

A NASA-sponsored research program initiated using mathematical modelling and laboratory experimentation aimed at examining the gas-exchange characteristics of artificial animal/plant systems closed to the ambient atmosphere is studied. The development of control techniques and management strategies for maintaining the atmospheric levels of carbon dioxide and oxygen at physiological levels is considered. A mathematical model simulating the behavior of a gas-closed mouse-algal system under varying environmental conditions is described. To verify and validate the model simulations, an analytical system with which algal growth and gas exchange characteristics can be manipulated and measured is designed, fabricated, and tested. The preliminary results are presented.

A Ritz approach for the static analysis of planar pantographic structures modeled with nonlinear Euler-Bernoulli beams

NASA Astrophysics Data System (ADS)

Andreaus, Ugo; Spagnuolo, Mario; Lekszycki, Tomasz; Eugster, Simon R.

2018-04-01

We present a finite element discrete model for pantographic lattices, based on a continuous Euler-Bernoulli beam for modeling the fibers composing the pantographic sheet. This model takes into account large displacements, rotations and deformations; the Euler-Bernoulli beam is described by using nonlinear interpolation functions, a Green-Lagrange strain for elongation and a curvature depending on elongation. On the basis of the introduced discrete model of a pantographic lattice, we perform some numerical simulations. We then compare the obtained results to an experimental BIAS extension test on a pantograph printed with polyamide PA2200. The pantographic structures involved in the numerical as well as in the experimental investigations are not proper fabrics: They are composed by just a few fibers for theoretically allowing the use of the Euler-Bernoulli beam theory in the description of the fibers. We compare the experiments to numerical simulations in which we allow the fibers to elastically slide one with respect to the other in correspondence of the interconnecting pivot. We present as result a very good agreement between the numerical simulation, based on the introduced model, and the experimental measures.

Phase-field simulations of GaN growth by selective area epitaxy on complex mask geometries

DOE PAGES

Aagesen, Larry K.; Coltrin, Michael Elliott; Han, Jung; ...

2015-05-15

Three-dimensional phase-field simulations of GaN growth by selective area epitaxy were performed. Furthermore, this model includes a crystallographic-orientation-dependent deposition rate and arbitrarily complex mask geometries. The orientation-dependent deposition rate can be determined from experimental measurements of the relative growth rates of low-index crystallographic facets. Growth on various complex mask geometries was simulated on both c-plane and a-plane template layers. Agreement was observed between simulations and experiment, including complex phenomena occurring at the intersections between facets. The sources of the discrepancies between simulated and experimental morphologies were also investigated. We found that the model provides a route to optimize masks andmore » processing conditions during materials synthesis for solar cells, light-emitting diodes, and other electronic and opto-electronic applications.« less

Experimental characterization and numerical simulation of riveted lap-shear joints using Rivet Element

NASA Astrophysics Data System (ADS)

Vivio, Francesco; Fanelli, Pierluigi; Ferracci, Michele

2018-03-01

In aeronautical and automotive industries the use of rivets for applications requiring several joining points is now very common. In spite of a very simple shape, a riveted junction has many contact surfaces and stress concentrations that make the local stiffness very difficult to be calculated. To overcome this difficulty, commonly finite element models with very dense meshes are performed for single joint analysis because the accuracy is crucial for a correct structural analysis. Anyhow, when several riveted joints are present, the simulation becomes computationally too heavy and usually significant restrictions to joint modelling are introduced, sacrificing the accuracy of local stiffness evaluation. In this paper, we tested the accuracy of a rivet finite element presented in previous works by the authors. The structural behaviour of a lap joint specimen with a rivet joining is simulated numerically and compared to experimental measurements. The Rivet Element, based on a closed-form solution of a reference theoretical model of the rivet joint, simulates local and overall stiffness of the junction combining high accuracy with low degrees of freedom contribution. In this paper the Rivet Element performances are compared to that of a FE non-linear model of the rivet, built with solid elements and dense mesh, and to experimental data. The promising results reported allow to consider the Rivet Element able to simulate, with a great accuracy, actual structures with several rivet connections.

CFD modelling wall heat transfer inside a combustion chamber using ANSYS forte

NASA Astrophysics Data System (ADS)

Plengsa-ard, C.; Kaewbumrung, M.

2018-01-01

A computational model has been performed to analyze a wall heat transfer in a single cylinder, direct injection and four-stroke diesel engine. A direct integration using detailed chemistry CHEMKIN is employed in a combustion model and the Reynolds Averaged Navier Stokes (RANS) turbulence model is used to simulate the flow in the cylinder. To obtain heat flux results, a modified classical variable-density wall heat transfer model is also performed. The model is validated using experimental data from a CUMMINs engine operated with a conventional diesel combustion. One operating engine condition is simulated. Comparisons of simulated in-cylinder pressure and heat release rates with experimental data shows that the model predicts the cylinder pressure and heat release rates reasonably well. The contour plot of instantaneous temperature are presented. Also, the contours of predicted heat flux results are shown. The magnitude of peak heat fluxes as predicted by the wall heat transfer model is in the range of the typical measure values in diesel combustion.

An Empirical Model for Vane-Type Vortex Generators in a Navier-Stokes Code

NASA Technical Reports Server (NTRS)

Dudek, Julianne C.

2005-01-01

An empirical model which simulates the effects of vane-type vortex generators in ducts was incorporated into the Wind-US Navier-Stokes computational fluid dynamics code. The model enables the effects of the vortex generators to be simulated without defining the details of the geometry within the grid, and makes it practical for researchers to evaluate multiple combinations of vortex generator arrangements. The model determines the strength of each vortex based on the generator geometry and the local flow conditions. Validation results are presented for flow in a straight pipe with a counter-rotating vortex generator arrangement, and the results are compared with experimental data and computational simulations using a gridded vane generator. Results are also presented for vortex generator arrays in two S-duct diffusers, along with accompanying experimental data. The effects of grid resolution and turbulence model are also examined.

Robust three-body water simulation model

NASA Astrophysics Data System (ADS)

Tainter, C. J.; Pieniazek, P. A.; Lin, Y.-S.; Skinner, J. L.

2011-05-01

The most common potentials used in classical simulations of liquid water assume a pairwise additive form. Although these models have been very successful in reproducing many properties of liquid water at ambient conditions, none is able to describe accurately water throughout its complicated phase diagram. The primary reason for this is the neglect of many-body interactions. To this end, a simulation model with explicit three-body interactions was introduced recently [R. Kumar and J. L. Skinner, J. Phys. Chem. B 112, 8311 (2008), 10.1021/jp8009468]. This model was parameterized to fit the experimental O-O radial distribution function and diffusion constant. Herein we reparameterize the model, fitting to a wider range of experimental properties (diffusion constant, rotational correlation time, density for the liquid, liquid/vapor surface tension, melting point, and the ice Ih density). The robustness of the model is then verified by comparing simulation to experiment for a number of other quantities (enthalpy of vaporization, dielectric constant, Debye relaxation time, temperature of maximum density, and the temperature-dependent second and third virial coefficients), with good agreement.

Geant4 hadronic physics for space radiation environment.

PubMed

Ivantchenko, Anton V; Ivanchenko, Vladimir N; Molina, Jose-Manuel Quesada; Incerti, Sebastien L

2012-01-01

To test and to develop Geant4 (Geometry And Tracking version 4) Monte Carlo hadronic models with focus on applications in a space radiation environment. The Monte Carlo simulations have been performed using the Geant4 toolkit. Binary (BIC), its extension for incident light ions (BIC-ion) and Bertini (BERT) cascades were used as main Monte Carlo generators. For comparisons purposes, some other models were tested too. The hadronic testing suite has been used as a primary tool for model development and validation against experimental data. The Geant4 pre-compound (PRECO) and de-excitation (DEE) models were revised and improved. Proton, neutron, pion, and ion nuclear interactions were simulated with the recent version of Geant4 9.4 and were compared with experimental data from thin and thick target experiments. The Geant4 toolkit offers a large set of models allowing effective simulation of interactions of particles with matter. We have tested different Monte Carlo generators with our hadronic testing suite and accordingly we can propose an optimal configuration of Geant4 models for the simulation of the space radiation environment.

Development of a pore network simulation model to study nonaqueous phase liquid dissolution

USGS Publications Warehouse

Dillard, Leslie A.; Blunt, Martin J.

2000-01-01

A pore network simulation model was developed to investigate the fundamental physics of nonequilibrium nonaqueous phase liquid (NAPL) dissolution. The network model is a lattice of cubic chambers and rectangular tubes that represent pore bodies and pore throats, respectively. Experimental data obtained by Powers [1992] were used to develop and validate the model. To ensure the network model was representative of a real porous medium, the pore size distribution of the network was calibrated by matching simulated and experimental drainage and imbibition capillary pressure‐saturation curves. The predicted network residual styrene blob‐size distribution was nearly identical to the observed distribution. The network model reproduced the observed hydraulic conductivity and produced relative permeability curves that were representative of a poorly consolidated sand. Aqueous‐phase transport was represented by applying the equation for solute flux to the network tubes and solving for solute concentrations in the network chambers. Complete mixing was found to be an appropriate approximation for calculation of chamber concentrations. Mass transfer from NAPL blobs was represented using a corner diffusion model. Predicted results of solute concentration versus Peclet number and of modified Sherwood number versus Peclet number for the network model compare favorably with experimental data for the case in which NAPL blob dissolution was negligible. Predicted results of normalized effluent concentration versus pore volume for the network were similar to the experimental data for the case in which NAPL blob dissolution occurred with time.

Using growth and arrest of Richtmyer-Meshkov instabilities and Lagrangian simulations to study high-rate material strength

NASA Astrophysics Data System (ADS)

Prime, M. B.; Vaughan, D. E.; Preston, D. L.; Buttler, W. T.; Chen, S. R.; Oró, D. M.; Pack, C.

2014-05-01

Experiments applying a supported shock through mating surfaces (Atwood number = 1) with geometrical perturbations have been proposed for studying strength at strain rates up to 107/s using Richtmyer-Meshkov (RM) instabilities. Buttler et al. recently reported experimental results for RM instability growth in copper but with an unsupported shock applied by high explosives and the geometrical perturbations on the opposite free surface (Atwood number = -1). This novel configuration allowed detailed experimental observation of the instability growth and arrest. We present results and interpretation from numerical simulations of the Buttler RM instability experiments. Highly-resolved, two-dimensional simulations were performed using a Lagrangian hydrocode and the Preston-Tonks-Wallace (PTW) strength model. The model predictions show good agreement with the data. The numerical simulations are used to examine various assumptions previously made in an analytical model and to estimate the sensitivity of such experiments to material strength.

Numerical Simulation and Experimental Casting of Nickel-Based Single-Crystal Superalloys by HRS and LMC Directional Solidification Processes

NASA Astrophysics Data System (ADS)

Yan, Xuewei; Wang, Run'nan; Xu, Qingyan; Liu, Baicheng

2017-04-01

Mathematical models for dynamic heat radiation and convection boundary in directional solidification processes are established to simulate the temperature fields. Cellular automaton (CA) method and Kurz-Giovanola-Trivedi (KGT) growth model are used to describe nucleation and growth. Primary dendritic arm spacing (PDAS) and secondary dendritic arm spacing (SDAS) are calculated by the Ma-Sham (MS) and Furer-Wunderlin (FW) models respectively. The mushy zone shape is investigated based on the temperature fields, for both high-rate solidification (HRS) and liquid metal cooling (LMC) processes. The evolution of the microstructure and crystallographic orientation are analyzed by simulation and electron back-scattered diffraction (EBSD) technique, respectively. Comparison of the simulation results from PDAS and SDAS with experimental results reveals a good agreement with each other. The results show that LMC process can provide both dendritic refinement and superior performance for castings due to the increased cooling rate and thermal gradient.

CFD Analysis of Evaporation-Condensation Phenomenon In an Evaporation Chamber of Natural Vacuum Solar Desalination

NASA Astrophysics Data System (ADS)

Ambarita, H.; Ronowikarto, A. D.; Siregar, R. E. T.; Setyawan, E. Y.

2018-01-01

Desalination technologies is one of solutions for water scarcity. With using renewable energy, like solar energy, wind energy, and geothermal energy, expected will reduce the energy demand. This required study on the modeling and transport parameters determination of natural vacuum solar desalination by using computational fluid dynamics (CFD) method to simulate the model. A three-dimensional case, two-phase model was developed for evaporation-condensation phenomenon in natural vacuum solar desalination. The CFD simulation results were compared with the avalaible experimental data. The simulation results shows inthat there is a phenomenon of evaporation-condensation in an evaporation chamber. From the simulation, the fresh water productivity is 2.21 litre, and from the experimental is 2.1 litre. This study shows there’s an error of magnitude 0.4%. The CFD results also show that, vacuum pressure will degrade the saturation temperature of sea water.

An experimental study of the aerodynamics of a NACA 0012 airfoil with a simulated glaze ice accretion

NASA Technical Reports Server (NTRS)

Bragg, M. B.

1986-01-01

An experimental study was conducted in the Ohio State University subsonic wind tunnel to measure the detailed aerodynamic characteristics of an airfoil with a simulated glaze ice accretion. A NACA 0012 model with interchangeable leading edges and pressure taps every one percent chord was used. Surface pressure and wake data were taken on the airfoil clean, with forced transition and with a simulated glaze ice shape. Lift and drag penalties due to the ice shape were found and the surface pressure clearly showed that large separation bubbles were present. Both total pressure and split-film probes were used to measure velocity profiles, both for the clean model and for the model with a simulated ice accretion. A large region of flow separation was seen in the velocity profiles and was correlated to the pressure measurements. Clean airfoil data were found to compare well to existing airfoil analysis methods.

Numerical simulation for the air entrainment of aerated flow with an improved multiphase SPH model

NASA Astrophysics Data System (ADS)

Wan, Hang; Li, Ran; Pu, Xunchi; Zhang, Hongwei; Feng, Jingjie

2017-11-01

Aerated flow is a complex hydraulic phenomenon that exists widely in the field of environmental hydraulics. It is generally characterised by large deformation and violent fragmentation of the free surface. Compared to Euler methods (volume of fluid (VOF) method or rigid-lid hypothesis method), the existing single-phase Smooth Particle Hydrodynamics (SPH) method has performed well for solving particle motion. A lack of research on interphase interaction and air concentration, however, has affected the application of SPH model. In our study, an improved multiphase SPH model is presented to simulate aeration flows. A drag force was included in the momentum equation to ensure accuracy of the air particle slip velocity. Furthermore, a calculation method for air concentration is developed to analyse the air entrainment characteristics. Two studies were used to simulate the hydraulic and air entrainment characteristics. And, compared with the experimental results, the simulation results agree with the experimental results well.

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.

Process simulation and dynamic control for marine oily wastewater treatment using UV irradiation.

PubMed

Jing, Liang; Chen, Bing; Zhang, Baiyu; Li, Pu

2015-09-15

UV irradiation and advanced oxidation processes have been recently regarded as promising solutions in removing polycyclic aromatic hydrocarbons (PAHs) from marine oily wastewater. However, such treatment methods are generally not sufficiently understood in terms of reaction mechanisms, process simulation and process control. These deficiencies can drastically hinder their application in shipping and offshore petroleum industries which produce bilge/ballast water and produced water as the main streams of marine oily wastewater. In this study, the factorial design of experiment was carried out to investigate the degradation mechanism of a typical PAH, namely naphthalene, under UV irradiation in seawater. Based on the experimental results, a three-layer feed-forward artificial neural network simulation model was developed to simulate the treatment process and to forecast the removal performance. A simulation-based dynamic mixed integer nonlinear programming (SDMINP) approach was then proposed to intelligently control the treatment process by integrating the developed simulation model, genetic algorithm and multi-stage programming. The applicability and effectiveness of the developed approach were further tested though a case study. The experimental results showed that the influences of fluence rate and temperature on the removal of naphthalene were greater than those of salinity and initial concentration. The developed simulation model could well predict the UV-induced removal process under varying conditions. The case study suggested that the SDMINP approach, with the aid of the multi-stage control strategy, was able to significantly reduce treatment cost when comparing to the traditional single-stage process optimization. The developed approach and its concept/framework have high potential of applicability in other environmental fields where a treatment process is involved and experimentation and modeling are used for process simulation and control. Copyright © 2015 Elsevier Ltd. All rights reserved.

A New Hybrid Viscoelastic Soft Tissue Model based on Meshless Method for Haptic Surgical Simulation

PubMed Central

Bao, Yidong; Wu, Dongmei; Yan, Zhiyuan; Du, Zhijiang

2013-01-01

This paper proposes a hybrid soft tissue model that consists of a multilayer structure and many spheres for surgical simulation system based on meshless. To improve accuracy of the model, tension is added to the three-parameter viscoelastic structure that connects the two spheres. By using haptic device, the three-parameter viscoelastic model (TPM) produces accurate deformationand also has better stress-strain, stress relaxation and creep properties. Stress relaxation and creep formulas have been obtained by mathematical formula derivation. Comparing with the experimental results of the real pig liver which were reported by Evren et al. and Amy et al., the curve lines of stress-strain, stress relaxation and creep of TPM are close to the experimental data of the real liver. Simulated results show that TPM has better real-time, stability and accuracy. PMID:24339837

Structural insights into human microsomal epoxide hydrolase by combined homology modeling, molecular dynamics simulations, and molecular docking calculations.

PubMed

Saenz-Méndez, Patricia; Katz, Aline; Pérez-Kempner, María Lucía; Ventura, Oscar N; Vázquez, Marta

2017-04-01

A new homology model of human microsomal epoxide hydrolase was derived based on multiple templates. The model obtained was fully evaluated, including MD simulations and ensemble-based docking, showing that the quality of the structure is better than that of only previously known model. Particularly, a catalytic triad was clearly identified, in agreement with the experimental information available. Analysis of intermediates in the enzymatic mechanism led to the identification of key residues for substrate binding, stereoselectivity, and intermediate stabilization during the reaction. In particular, we have confirmed the role of the oxyanion hole and the conserved motif (HGXP) in epoxide hydrolases, in excellent agreement with known experimental and computational data on similar systems. The model obtained is the first one that fully agrees with all the experimental observations on the system. Proteins 2017; 85:720-730. © 2016 Wiley Periodicals, Inc. © 2017 Wiley Periodicals, Inc.

Experimental and Numerical Modeling of Fluid Flow Processes in Continuous Casting: Results from the LIMMCAST-Project

NASA Astrophysics Data System (ADS)

Timmel, K.; Kratzsch, C.; Asad, A.; Schurmann, D.; Schwarze, R.; Eckert, S.

2017-07-01

The present paper reports about numerical simulations and model experiments concerned with the fluid flow in the continuous casting process of steel. This work was carried out in the LIMMCAST project in the framework of the Helmholtz alliance LIMTECH. A brief description of the LIMMCAST facilities used for the experimental modeling at HZDR is given here. Ultrasonic and inductive techniques and the X-ray radioscopy were employed for flow measurements or visualizations of two-phase flow regimes occurring in the submerged entry nozzle and the mold. Corresponding numerical simulations were performed at TUBAF taking into account the dimensions and properties of the model experiments. Numerical models were successfully validated using the experimental data base. The reasonable and in many cases excellent agreement of numerical with experimental data allows to extrapolate the models to real casting configurations. Exemplary results will be presented here showing the effect of electromagnetic brakes or electromagnetic stirrers on the flow in the mold or illustrating the properties of two-phase flows resulting from an Ar injection through the stopper rod.

WEC-SIM Phase 1 Validation Testing -- Numerical Modeling of Experiments: Preprint

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

Ruehl, Kelley; Michelen, Carlos; Bosma, Bret

2016-08-01

The Wave Energy Converter Simulator (WEC-Sim) is an open-source code jointly developed by Sandia National Laboratories and the National Renewable Energy Laboratory. It is used to model wave energy converters subjected to operational and extreme waves. In order for the WEC-Sim code to be beneficial to the wave energy community, code verification and physical model validation is necessary. This paper describes numerical modeling of the wave tank testing for the 1:33-scale experimental testing of the floating oscillating surge wave energy converter. The comparison between WEC-Sim and the Phase 1 experimental data set serves as code validation. This paper is amore » follow-up to the WEC-Sim paper on experimental testing, and describes the WEC-Sim numerical simulations for the floating oscillating surge wave energy converter.« less

Experimental model of smoking and simulation of reflux with acid and pepsin in rats.

PubMed

Zen Junior, José Hélio; Del Negro, André; Colli Neto, José Alexandre; Araujo, Marina Rachel; Altemani, Albina Maria; Andreollo, Nelson Adami

2012-01-01

To develop experimental models to evaluate the effects of hydrochloric acid associated with the pepsin instilled in the mucosa of the upper esophagus and the esophagogastric junction of young male rats Wistar, simulating injury caused by gastroesophageal reflux on the mucosa of aero-digestive tract in humans as well as the action of the risk exposure of mucosa to cigarette smoke. Fifty young male Wistar rats divided in 5 groups with 10 animals each one, respectively simulating pharyngo-laryngeal reflux and gastroesophageal reflux, pharyngo-laryngeal reflux and smoking, smoking only, gastroesophageal reflux and control group. The histopathologic studies no recorded neoplasias, only mild changes and no significant alterations. The hemo-oximetry (carboxyhemoglobin and methemoglobim) and CO2 concentration confirm that the animals were submitted to high intensity of exposure to carcinogens in tobacco and its derivatives. The experimental models were highly efficient, practical, easy to use and economical and can be employed in other similar studies to determine the harmful effects by smoking and reflux.

Kinetic Monte Carlo simulations of scintillation processes in NaI(Tl)

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

Kerisit, Sebastien N.; Wang, Zhiguo; Williams, Richard

2014-04-26

Developing a comprehensive understanding of the processes that govern the scintillation behavior of inorganic scintillators provides a pathway to optimize current scintillators and allows for the science-driven search for new scintillator materials. Recent experimental data on the excitation density dependence of the light yield of inorganic scintillators presents an opportunity to incorporate parameterized interactions between excitations in scintillation models and thus enable more realistic simulations of the nonproportionality of inorganic scintillators. Therefore, a kinetic Monte Carlo (KMC) model of elementary scintillation processes in NaI(Tl) is developed in this work to simulate the kinetics of scintillation for a range of temperaturesmore » and Tl concentrations as well as the scintillation efficiency as a function of excitation density. The ability of the KMC model to reproduce available experimental data allows for elucidating the elementary processes that give rise to the kinetics and efficiency of scintillation observed experimentally for a range of conditions.« less

Efficient prediction of terahertz quantum cascade laser dynamics from steady-state simulations

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

Agnew, G.; Lim, Y. L.; Nikolić, M.

2015-04-20

Terahertz-frequency quantum cascade lasers (THz QCLs) based on bound-to-continuum active regions are difficult to model owing to their large number of quantum states. We present a computationally efficient reduced rate equation (RE) model that reproduces the experimentally observed variation of THz power with respect to drive current and heat-sink temperature. We also present dynamic (time-domain) simulations under a range of drive currents and predict an increase in modulation bandwidth as the current approaches the peak of the light–current curve, as observed experimentally in mid-infrared QCLs. We account for temperature and bias dependence of the carrier lifetimes, gain, and injection efficiency,more » calculated from a full rate equation model. The temperature dependence of the simulated threshold current, emitted power, and cut-off current are thus all reproduced accurately with only one fitting parameter, the interface roughness, in the full REs. We propose that the model could therefore be used for rapid dynamical simulation of QCL designs.« less

MARIKA - A model revision system using qualitative analysis of simulations. [of human orientation system

NASA Technical Reports Server (NTRS)

Groleau, Nicolas; Frainier, Richard; Colombano, Silvano; Hazelton, Lyman; Szolovits, Peter

1993-01-01

This paper describes portions of a novel system called MARIKA (Model Analysis and Revision of Implicit Key Assumptions) to automatically revise a model of the normal human orientation system. The revision is based on analysis of discrepancies between experimental results and computer simulations. The discrepancies are calculated from qualitative analysis of quantitative simulations. The experimental and simulated time series are first discretized in time segments. Each segment is then approximated by linear combinations of simple shapes. The domain theory and knowledge are represented as a constraint network. Incompatibilities detected during constraint propagation within the network yield both parameter and structural model alterations. Interestingly, MARIKA diagnosed a data set from the Massachusetts Eye and Ear Infirmary Vestibular Laboratory as abnormal though the data was tagged as normal. Published results from other laboratories confirmed the finding. These encouraging results could lead to a useful clinical vestibular tool and to a scientific discovery system for space vestibular adaptation.

Increasing the relevance of GCM simulations for Climate Services

NASA Astrophysics Data System (ADS)

Smith, L. A.; Suckling, E.

2012-12-01

The design and interpretation of model simulations for climate services differ significantly from experimental design for the advancement of the fundamental research on predictability that underpins it. Climate services consider the sources of best information available today; this calls for a frank evaluation of model skill in the face of statistical benchmarks defined by empirical models. The fact that Physical simulation models are thought to provide the only reliable method for extrapolating into conditions not previously observed has no bearing on whether or not today's simulation models outperform empirical models. Evidence on the length scales on which today's simulation models fail to outperform empirical benchmarks is presented; it is illustrated that this occurs even on global scales in decadal prediction. At all timescales considered thus far (as of July 2012), predictions based on simulation models are improved by blending with the output of statistical models. Blending is shown to be more interesting in the climate context than it is in the weather context, where blending with a history-based climatology is straightforward. As GCMs improve and as the Earth's climate moves further from that of the last century, the skill from simulation models and their relevance to climate services is expected to increase. Examples from both seasonal and decadal forecasting will be used to discuss a third approach that may increase the role of current GCMs more quickly. Specifically, aspects of the experimental design in previous hind cast experiments are shown to hinder the use of GCM simulations for climate services. Alternative designs are proposed. The value in revisiting Thompson's classic approach to improving weather forecasting in the fifties in the context of climate services is discussed.

Construction of a stochastic model of track geometry irregularities and validation through experimental measurements of dynamic loading

NASA Astrophysics Data System (ADS)

Panunzio, Alfonso M.; Puel, G.; Cottereau, R.; Simon, S.; Quost, X.

2017-03-01

This paper describes the construction of a stochastic model of urban railway track geometry irregularities, based on experimental data. The considered irregularities are track gauge, superelevation, horizontal and vertical curvatures. They are modelled as random fields whose statistical properties are extracted from a large set of on-track measurements of the geometry of an urban railway network. About 300-1000 terms are used in the Karhunen-Loève/Polynomial Chaos expansions to represent the random fields with appropriate accuracy. The construction of the random fields is then validated by comparing on-track measurements of the contact forces and numerical dynamics simulations for different operational conditions (train velocity and car load) and horizontal layouts (alignment, curve). The dynamics simulations are performed both with and without randomly generated geometrical irregularities for the track. The power spectrum densities obtained from the dynamics simulations with the model of geometrical irregularities compare extremely well with those obtained from the experimental contact forces. Without irregularities, the spectrum is 10-50 dB too low.

Simulation of the detonation process of an ammonium nitrate based emulsion explosive using the lee-tarver reactive flow model

NASA Astrophysics Data System (ADS)

Ribeiro, José B.; Silva, Cristóvão; Mendes, Ricardo; Plaksin, I.; Campos, Jose

2012-03-01

The use of emulsion explosives [EEx] for processing materials (compaction, welding and forming) requires the ability to perform detailed simulations of its detonation process [DP]. Detailed numerical simulations of the DP of this kind of explosives, characterized by having a finite reaction zone thickness, are thought to be suitably performed using the Lee-Tarver reactive flow model. In this work a real coded genetic algorithm methodology was used to estimate the 15 parameters of the reaction rate equation [RRE] of that model for a particular EEx. This methodology allows, in a single optimization procedure, using only one experimental result and without the need of any starting solution, to seek for the 15 parameters of the RRE 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 EoS assessment, and the thermochemical code THOR retrieved the data used in the detonation products JWL EoS assessment. The obtained parameters allow a reasonable description of the experimental data.

Refining Markov state models for conformational dynamics using ensemble-averaged data and time-series trajectories

NASA Astrophysics Data System (ADS)

Matsunaga, Y.; Sugita, Y.

2018-06-01

A data-driven modeling scheme is proposed for conformational dynamics of biomolecules based on molecular dynamics (MD) simulations and experimental measurements. In this scheme, an initial Markov State Model (MSM) is constructed from MD simulation trajectories, and then, the MSM parameters are refined using experimental measurements through machine learning techniques. The second step can reduce the bias of MD simulation results due to inaccurate force-field parameters. Either time-series trajectories or ensemble-averaged data are available as a training data set in the scheme. Using a coarse-grained model of a dye-labeled polyproline-20, we compare the performance of machine learning estimations from the two types of training data sets. Machine learning from time-series data could provide the equilibrium populations of conformational states as well as their transition probabilities. It estimates hidden conformational states in more robust ways compared to that from ensemble-averaged data although there are limitations in estimating the transition probabilities between minor states. We discuss how to use the machine learning scheme for various experimental measurements including single-molecule time-series trajectories.

Capacitive Deionization of High-Salinity Solutions

DOE PAGES

Sharma, Ketki; Gabitto, Jorge; Mayes, Richard T.; ...

2014-12-22

Desalination of high salinity solutions has been studied using a novel experimental technique and a theoretical model. Neutron imaging has been employed to visualize lithium ions in mesoporous carbon materials, which are used as electrodes in capacitive deionization for water desalination. Experiments were conducted with a flow-through capacitive deionization cell designed for neutron imaging and with lithium chloride ( 6LiCl) as the electrolyte. Sequences of neutron images have been obtained at a relatively high concentration of lithium chloride ( 6LiCl) solution to provide information on the transport of ions within the electrodes. A new model that computes the individual ionicmore » concentration profiles inside mesoporous carbon electrodes has been used to simulate the capacitive deionization process. Modifications have also been introduced into the simulation model to calculate results at high electrolyte concentrations. Experimental data and simulation results provide insight into why capacitive deionization is not effective for desalination of high ionic-strength solutions. The combination of experimental information, obtained through neutron imaging, with the theoretical model will help in the design of capacitive deionization devices, which can improve the process for high ionic-strength solutions.« less

eSBMTools 1.0: enhanced native structure-based modeling tools.

PubMed

Lutz, Benjamin; Sinner, Claude; Heuermann, Geertje; Verma, Abhinav; Schug, Alexander

2013-11-01

Molecular dynamics simulations provide detailed insights into the structure and function of biomolecular systems. Thus, they complement experimental measurements by giving access to experimentally inaccessible regimes. Among the different molecular dynamics techniques, native structure-based models (SBMs) are based on energy landscape theory and the principle of minimal frustration. Typically used in protein and RNA folding simulations, they coarse-grain the biomolecular system and/or simplify the Hamiltonian resulting in modest computational requirements while achieving high agreement with experimental data. eSBMTools streamlines running and evaluating SBM in a comprehensive package and offers high flexibility in adding experimental- or bioinformatics-derived restraints. We present a software package that allows setting up, modifying and evaluating SBM for both RNA and proteins. The implemented workflows include predicting protein complexes based on bioinformatics-derived inter-protein contact information, a standardized setup of protein folding simulations based on the common PDB format, calculating reaction coordinates and evaluating the simulation by free-energy calculations with weighted histogram analysis method or by phi-values. The modules interface with the molecular dynamics simulation program GROMACS. The package is open source and written in architecture-independent Python2. http://sourceforge.net/projects/esbmtools/. alexander.schug@kit.edu. Supplementary data are available at Bioinformatics online.

A case study on the in silico absorption simulations of levothyroxine sodium immediate-release tablets.

PubMed

Kocic, Ivana; Homsek, Irena; Dacevic, Mirjana; Grbic, Sandra; Parojcic, Jelena; Vucicevic, Katarina; Prostran, Milica; Miljkovic, Branislava

2012-04-01

The aim of this case study was to develop a drug-specific absorption model for levothyroxine (LT4) using mechanistic gastrointestinal simulation technology (GIST) implemented in the GastroPlus™ software package. The required input parameters were determined experimentally, in silico predicted and/or taken from the literature. The simulated plasma profile was similar and in a good agreement with the data observed in the in vivo bioequivalence study, indicating that the GIST model gave an accurate prediction of LT4 oral absorption. Additionally, plasma concentration-time profiles were simulated based on a set of experimental and virtual in vitro dissolution data in order to estimate the influence of different in vitro drug dissolution kinetics on the simulated plasma profiles and to identify biorelevant dissolution specification for LT4 immediate-release (IR) tablets. A set of experimental and virtual in vitro data was also used for correlation purposes. In vitro-in vivo correlation model based on the convolution approach was applied in order to assess the relationship between the in vitro and in vivo data. The obtained results suggest that dissolution specification of more than 85% LT4 dissolved in 60 min might be considered as biorelevant dissolution specification criteria for LT4 IR tablets. Copyright © 2012 John Wiley & Sons, Ltd.

Mesostructural investigation of micron-sized glass particles during shear deformation - An experimental approach vs. DEM simulation

NASA Astrophysics Data System (ADS)

Torbahn, Lutz; Weuster, Alexander; Handl, Lisa; Schmidt, Volker; Kwade, Arno; Wolf, Dietrich E.

2017-06-01

The interdependency of structure and mechanical features of a cohesive powder packing is on current scientific focus and far from being well understood. Although the Discrete Element Method provides a well applicable and widely used tool to model powder behavior, non-trivial contact mechanics of micron-sized particles demand a sophisticated contact model. Here, a direct comparison between experiment and simulation on a particle level offers a proper approach for model validation. However, the simulation of a full scale shear-tester experiment with micron-sized particles, and hence, validating this simulation remains a challenge. We address this task by down scaling the experimental setup: A fully functional micro shear-tester was developed and implemented into an X-ray tomography device in order to visualize the sample on a bulk and particle level within small bulk volumes of the order of a few micro liter under well-defined consolidation. Using spherical micron-sized particles (30 μm), shear tests with a particle number accessible for simulations can be performed. Moreover, particle level analysis allows for a direct comparison of experimental and numerical results, e.g., regarding structural evolution. In this talk, we focus on density inhomogeneity and shear induced heterogeneity during compaction and shear deformation.

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.

Atomic scale simulations for improved CRUD and fuel performance modeling

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

Andersson, Anders David Ragnar; Cooper, Michael William Donald

2017-01-06

A more mechanistic description of fuel performance codes can be achieved by deriving models and parameters from atomistic scale simulations rather than fitting models empirically to experimental data. The same argument applies to modeling deposition of corrosion products on fuel rods (CRUD). Here are some results from publications in 2016 carried out using the CASL allocation at LANL.

Simulations of the modified gap experiment

NASA Astrophysics Data System (ADS)

Sutherland, Gerrit T.; Benjamin, Richard; Kooker, Douglas

2017-01-01

Modified gap experiment (test) hydrocode simulations predict the trends seen in experimental excess free surface velocity versus input pressure curves for explosives with both large and modest failure diameters. Simulations were conducted for explosive "A", an explosive with a large failure diameter, and for cast TNT, which has a modest failure diameter. Using the best available reactive rate models, the simulations predicted sustained ignition thresholds similar to experiment. This is a threshold where detonation is likely given a long enough run distance. For input pressures greater than the sustained ignition threshold pressure, the simulations predicted too little velocity for explosive "A" and too much velocity for TNT. It was found that a better comparison of experiment and simulation requires additional experimental data for both explosives. It was observed that the choice of reactive rate model for cast TNT can lead to large differences in the predicted modified gap experiment result. The cause of the difference is that the same data was not used to parameterize both models; one set of data was more shock reactive than the other.

IRFK2D: a computer program for simulating intrinsic random functions of order k

NASA Astrophysics Data System (ADS)

Pardo-Igúzquiza, Eulogio; Dowd, Peter A.

2003-07-01

IRFK2D is an ANSI Fortran-77 program that generates realizations of an intrinsic function of order k (with k equal to 0, 1 or 2) with a permissible polynomial generalized covariance model. The realizations may be non-conditional or conditioned to the experimental data. The turning bands method is used to generate realizations in 2D and 3D from simulations of an intrinsic random function of order k along lines that span the 2D or 3D space. The program generates two output files, the first containing the simulated values and the second containing the theoretical generalized variogram for different directions together with the theoretical model. The experimental variogram is calculated from the simulated values while the theoretical variogram is the specified generalized covariance model. The generalized variogram is used to assess the quality of the simulation as measured by the extent to which the generalized covariance is reproduced by the simulation. The examples given in this paper indicate that IRFK2D is an efficient implementation of the methodology.

2D-Raman-THz spectroscopy: A sensitive test of polarizable water models

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

Hamm, Peter, E-mail: peter.hamm@chem.uzh.ch

2014-11-14

In a recent paper, the experimental 2D-Raman-THz response of liquid water at ambient conditions has been presented [J. Savolainen, S. Ahmed, and P. Hamm, Proc. Natl. Acad. Sci. U. S. A. 110, 20402 (2013)]. Here, all-atom molecular dynamics simulations are performed with the goal to reproduce the experimental results. To that end, the molecular response functions are calculated in a first step, and are then convoluted with the laser pulses in order to enable a direct comparison with the experimental results. The molecular dynamics simulation are performed with several different water models: TIP4P/2005, SWM4-NDP, and TL4P. As polarizability is essentialmore » to describe the 2D-Raman-THz response, the TIP4P/2005 water molecules are amended with either an isotropic or a anisotropic polarizability a posteriori after the molecular dynamics simulation. In contrast, SWM4-NDP and TL4P are intrinsically polarizable, and hence the 2D-Raman-THz response can be calculated in a self-consistent way, using the same force field as during the molecular dynamics simulation. It is found that the 2D-Raman-THz response depends extremely sensitively on details of the water model, and in particular on details of the description of polarizability. Despite the limited time resolution of the experiment, it could easily distinguish between various water models. Albeit not perfect, the overall best agreement with the experimental data is obtained for the TL4P water model.« less

Comparison of numerical and experimental results of the flow in the U9 Kaplan turbine model

NASA Astrophysics Data System (ADS)

Petit, O.; Mulu, B.; Nilsson, H.; Cervantes, M.

2010-08-01

The present work compares simulations made using the OpenFOAM CFD code with experimental measurements of the flow in the U9 Kaplan turbine model. Comparisons of the velocity profiles in the spiral casing and in the draft tube are presented. The U9 Kaplan turbine prototype located in Porjus and its model, located in Älvkarleby, Sweden, have curved inlet pipes that lead the flow to the spiral casing. Nowadays, this curved pipe and its effect on the flow in the turbine is not taken into account when numerical simulations are performed at design stage. To study the impact of the inlet pipe curvature on the flow in the turbine, and to get a better overview of the flow of the whole system, measurements were made on the 1:3.1 model of the U9 turbine. Previously published measurements were taken at the inlet of the spiral casing and just before the guide vanes, using the laser Doppler anemometry (LDA) technique. In the draft tube, a number of velocity profiles were measured using the LDA techniques. The present work extends the experimental investigation with a horizontal section at the inlet of the draft tube. The experimental results are used to specify the inlet boundary condition for the numerical simulations in the draft tube, and to validate the computational results in both the spiral casing and the draft tube. The numerical simulations were realized using the standard k-e model and a block-structured hexahedral wall function mesh.

Determination of Vertical Borehole and Geological Formation Properties using the Crossed Contour Method

PubMed Central

Leyde, Brian P.; Klein, Sanford A; Nellis, Gregory F.; Skye, Harrison

2017-01-01

This paper presents a new method called the Crossed Contour Method for determining the effective properties (borehole radius and ground thermal conductivity) of a vertical ground-coupled heat exchanger. The borehole radius is used as a proxy for the overall borehole thermal resistance. The method has been applied to both simulated and experimental borehole Thermal Response Test (TRT) data using the Duct Storage vertical ground heat exchanger model implemented in the TRansient SYstems Simulation software (TRNSYS). The Crossed Contour Method generates a parametric grid of simulated TRT data for different combinations of borehole radius and ground thermal conductivity in a series of time windows. The error between the average of the simulated and experimental bore field inlet and outlet temperatures is calculated for each set of borehole properties within each time window. Using these data, contours of the minimum error are constructed in the parameter space of borehole radius and ground thermal conductivity. When all of the minimum error contours for each time window are superimposed, the point where the contours cross (intersect) identifies the effective borehole properties for the model that most closely represents the experimental data in every time window and thus over the entire length of the experimental data set. The computed borehole properties are compared with results from existing model inversion methods including the Ground Property Measurement (GPM) software developed by Oak Ridge National Laboratory, and the Line Source Model. PMID:28785125

Modeling to predict pilot performance during CDTI-based in-trail following experiments

NASA Technical Reports Server (NTRS)

Sorensen, J. A.; Goka, T.

1984-01-01

A mathematical model was developed of the flight system with the pilot using a cockpit display of traffic information (CDTI) to establish and maintain in-trail spacing behind a lead aircraft during approach. Both in-trail and vertical dynamics were included. The nominal spacing was based on one of three criteria (Constant Time Predictor; Constant Time Delay; or Acceleration Cue). This model was used to simulate digitally the dynamics of a string of multiple following aircraft, including response to initial position errors. The simulation was used to predict the outcome of a series of in-trail following experiments, including pilot performance in maintaining correct longitudinal spacing and vertical position. The experiments were run in the NASA Ames Research Center multi-cab cockpit simulator facility. The experimental results were then used to evaluate the model and its prediction accuracy. Model parameters were adjusted, so that modeled performance matched experimental results. Lessons learned in this modeling and prediction study are summarized.

Analytical and experimental vibration analysis of a faulty gear system

NASA Astrophysics Data System (ADS)

Choy, F. K.; Braun, M. J.; Polyshchuk, V.; Zakrajsek, J. J.; Townsend, D. P.; Handschuh, R. F.

1994-10-01

A comprehensive analytical procedure was developed for predicting faults in gear transmission systems under normal operating conditions. A gear tooth fault model is developed to simulate the effects of pitting and wear on the vibration signal under normal operating conditions. The model uses changes in the gear mesh stiffness to simulate the effects of gear tooth faults. The overall dynamics of the gear transmission system is evaluated by coupling the dynamics of each individual gear-rotor system through gear mesh forces generated between each gear-rotor system and the bearing forces generated between the rotor and the gearbox structures. The predicted results were compared with experimental results obtained from a spiral bevel gear fatigue test rig at NASA Lewis Research Center. The Wigner-Ville Distribution (WVD) was used to give a comprehensive comparison of the predicted and experimental results. The WVD method applied to the experimental results were also compared to other fault detection techniques to verify the WVD's ability to detect the pitting damage, and to determine its relative performance. Overall results show good correlation between the experimental vibration data of the damaged test gear and the predicted vibration from the model with simulated gear tooth pitting damage. Results also verified that the WVD method can successfully detect and locate gear tooth wear and pitting damage.

Analytical and experimental vibration analysis of a faulty gear system

NASA Astrophysics Data System (ADS)

Choy, F. K.; Braun, M. J.; Polyshchuk, V.; Zakrajsek, J. J.; Townsend, D. P.; Handschuh, R. F.

1994-10-01

A comprehensive analytical procedure was developed for predicting faults in gear transmission systems under normal operating conditions. A gear tooth fault model is developed to simulate the effects of pitting and wear on the vibration signal under normal operating conditions. The model uses changes in the gear mesh stiffness to simulate the effects of gear tooth faults. The overall dynamics of the gear transmission system is evaluated by coupling the dynamics of each individual gear-rotor system through gear mesh forces generated between each gear-rotor system and the bearing forces generated between the rotor and the gearbox structure. The predicted results were compared with experimental results obtained from a spiral bevel gear fatigue test rig at NASA Lewis Research Center. The Wigner-Ville distribution (WVD) was used to give a comprehensive comparison of the predicted and experimental results. The WVD method applied to the experimental results were also compared to other fault detection techniques to verify the WVD's ability to detect the pitting damage, and to determine its relative performance. Overall results show good correlation between the experimental vibration data of the damaged test gear and the predicted vibration from the model with simulated gear tooth pitting damage. Results also verified that the WVD method can successfully detect and locate gear tooth wear and pitting damage.

Analytical and Experimental Vibration Analysis of a Faulty Gear System

NASA Technical Reports Server (NTRS)

Choy, F. K.; Braun, M. J.; Polyshchuk, V.; Zakrajsek, J. J.; Townsend, D. P.; Handschuh, R. F.

1994-01-01

A comprehensive analytical procedure was developed for predicting faults in gear transmission systems under normal operating conditions. A gear tooth fault model is developed to simulate the effects of pitting and wear on the vibration signal under normal operating conditions. The model uses changes in the gear mesh stiffness to simulate the effects of gear tooth faults. The overall dynamics of the gear transmission system is evaluated by coupling the dynamics of each individual gear-rotor system through gear mesh forces generated between each gear-rotor system and the bearing forces generated between the rotor and the gearbox structure. The predicted results were compared with experimental results obtained from a spiral bevel gear fatigue test rig at NASA Lewis Research Center. The Wigner-Ville distribution (WVD) was used to give a comprehensive comparison of the predicted and experimental results. The WVD method applied to the experimental results were also compared to other fault detection techniques to verify the WVD's ability to detect the pitting damage, and to determine its relative performance. Overall results show good correlation between the experimental vibration data of the damaged test gear and the predicted vibration from the model with simulated gear tooth pitting damage. Results also verified that the WVD method can successfully detect and locate gear tooth wear and pitting damage.

Modeling the Structure of Helical Assemblies with Experimental Constraints in Rosetta.

PubMed

André, Ingemar

2018-01-01

Determining high-resolution structures of proteins with helical symmetry can be challenging due to limitations in experimental data. In such instances, structure-based protein simulations driven by experimental data can provide a valuable approach for building models of helical assemblies. This chapter describes how the Rosetta macromolecular package can be used to model homomeric protein assemblies with helical symmetry in a range of modeling scenarios including energy refinement, symmetrical docking, comparative modeling, and de novo structure prediction. Data-guided structure modeling of helical assemblies with experimental information from electron density, X-ray fiber diffraction, solid-state NMR, and chemical cross-linking mass spectrometry is also described.

Structurally detailed coarse-grained model for Sec-facilitated co-translational protein translocation and membrane integration

PubMed Central

Miller, Thomas F.

2017-01-01

We present a coarse-grained simulation model that is capable of simulating the minute-timescale dynamics of protein translocation and membrane integration via the Sec translocon, while retaining sufficient chemical and structural detail to capture many of the sequence-specific interactions that drive these processes. The model includes accurate geometric representations of the ribosome and Sec translocon, obtained directly from experimental structures, and interactions parameterized from nearly 200 μs of residue-based coarse-grained molecular dynamics simulations. A protocol for mapping amino-acid sequences to coarse-grained beads enables the direct simulation of trajectories for the co-translational insertion of arbitrary polypeptide sequences into the Sec translocon. The model reproduces experimentally observed features of membrane protein integration, including the efficiency with which polypeptide domains integrate into the membrane, the variation in integration efficiency upon single amino-acid mutations, and the orientation of transmembrane domains. The central advantage of the model is that it connects sequence-level protein features to biological observables and timescales, enabling direct simulation for the mechanistic analysis of co-translational integration and for the engineering of membrane proteins with enhanced membrane integration efficiency. PMID:28328943

Subpixel edge estimation with lens aberrations compensation based on the iterative image approximation for high-precision thermal expansion measurements of solids

NASA Astrophysics Data System (ADS)

Inochkin, F. M.; Kruglov, S. K.; Bronshtein, I. G.; Kompan, T. A.; Kondratjev, S. V.; Korenev, A. S.; Pukhov, N. F.

2017-06-01

A new method for precise subpixel edge estimation is presented. The principle of the method is the iterative image approximation in 2D with subpixel accuracy until the appropriate simulated is found, matching the simulated and acquired images. A numerical image model is presented consisting of three parts: an edge model, object and background brightness distribution model, lens aberrations model including diffraction. The optimal values of model parameters are determined by means of conjugate-gradient numerical optimization of a merit function corresponding to the L2 distance between acquired and simulated images. Computationally-effective procedure for the merit function calculation along with sufficient gradient approximation is described. Subpixel-accuracy image simulation is performed in a Fourier domain with theoretically unlimited precision of edge points location. The method is capable of compensating lens aberrations and obtaining the edge information with increased resolution. Experimental method verification with digital micromirror device applied to physically simulate an object with known edge geometry is shown. Experimental results for various high-temperature materials within the temperature range of 1000°C..2400°C are presented.

Quantitative modeling of the molecular steps underlying shut-off of rhodopsin activity in rod phototransduction

PubMed Central

Kraft, Timothy W.

2016-01-01

Purpose To examine the predictions of alternative models for the stochastic shut-off of activated rhodopsin (R*) and their implications for the interpretation of experimentally recorded single-photon responses (SPRs) in mammalian rods. Theory We analyze the transitions that an activated R* molecule undergoes as a result of successive phosphorylation steps and arrestin binding. We consider certain simplifying cases for the relative magnitudes of the reaction rate constants and derive the probability distributions for the time to arrestin binding. In addition to the conventional model in which R* catalytic activity declines in a graded manner with successive phosphorylations, we analyze two cases in which the activity is assumed to occur not via multiple small steps upon each phosphorylation but via a single large step. We refer to these latter two cases as the binary R* shut-off and three-state R* shut-off models. Methods We simulate R*’s stochastic reactions numerically for the three models. In the simplifying cases for the ratio of rate constants in the binary and three-state models, we show that the probability distribution of the time to arrestin binding is accurately predicted. To simulate SPRs, we then integrate the differential equations for the downstream reactions using a standard model of the rod outer segment that includes longitudinal diffusion of cGMP and Ca2+. Results Our simulations of SPRs in the conventional model of graded shut-off of R* conform closely to the simulations in a recent study. However, the gain factor required to account for the observed mean SPR amplitude is higher than can be accounted for from biochemical experiments. In addition, a substantial minority of the simulated SPRs exhibit features that have not been reported in published experiments. Our simulations of SPRs using the model of binary R* shut-off appear to conform closely to experimental results for wild type (WT) mouse rods, and the required gain factor conforms to biochemical expectations. However, for the arrestin knockout (Arr−/−) phenotype, the predictions deviated from experimental findings and led us to invoke a low-activity state that R* enters before arrestin binding. Our simulations of this three-state R* shut-off model are very similar to those of the binary model in the WT case but are preferred because they appear to accurately predict the mean SPRs for four mutant phenotypes, Arr+/−, Arr−/−, GRK1+/−, and GRK1−/−, in addition to the WT phenotype. When we additionally treated the formation and shut-off of activated phosphodiesterase (E*) as stochastic, the simulated SPRs appeared even more similar to real SPRs, and there was very little change in the ensemble mean and standard deviation or in the amplitude distribution. Conclusions We conclude that the conventional model of graded reduction in R* activity through successive phosphorylation steps appears to be inconsistent with experimental results. Instead, we find that two variants of a model in which R* activity initially remains high and then declines abruptly after several phosphorylation steps appears capable of providing a better description of experimentally measured SPRs. PMID:27375353

Quick realization of a ship steering training simulation system by virtual reality

NASA Astrophysics Data System (ADS)

Sun, Jifeng; Zhi, Pinghua; Nie, Weiguo

2003-09-01

This paper addresses two problems of a ship handling simulator. Firstly, 360 scene generation, especially 3D dynamic sea wave modeling, is described. Secondly, a multi-computer complementation of ship handling simulator. This paper also gives the experimental results of the proposed ship handling simulator.

Handsheet formation and mechanical testing via fiber-level simulations

Treesearch

Leonard H. Switzer; Daniel J. Klingenberg; C. Tim Scott

2004-01-01

A fiber model and simulation method are employed to investigate the mechanical response of planar fiber networks subjected to elongational deformation. The simulated responses agree qualitatively with numerous experimental observations. suggesting that such simulation methods may be useful for probing the relationships between fiber properties and interactions and the...

Simulator for concurrent processing data flow architectures

NASA Technical Reports Server (NTRS)

Malekpour, Mahyar R.; Stoughton, John W.; Mielke, Roland R.

1992-01-01

A software simulator capability of simulating execution of an algorithm graph on a given system under the Algorithm to Architecture Mapping Model (ATAMM) rules is presented. ATAMM is capable of modeling the execution of large-grained algorithms on distributed data flow architectures. Investigating the behavior and determining the performance of an ATAMM based system requires the aid of software tools. The ATAMM Simulator presented is capable of determining the performance of a system without having to build a hardware prototype. Case studies are performed on four algorithms to demonstrate the capabilities of the ATAMM Simulator. Simulated results are shown to be comparable to the experimental results of the Advanced Development Model System.

Experimental analysis of chaotic neural network models for combinatorial optimization under a unifying framework.

PubMed

Kwok, T; Smith, K A

2000-09-01

The aim of this paper is to study both the theoretical and experimental properties of chaotic neural network (CNN) models for solving combinatorial optimization problems. Previously we have proposed a unifying framework which encompasses the three main model types, namely, Chen and Aihara's chaotic simulated annealing (CSA) with decaying self-coupling, Wang and Smith's CSA with decaying timestep, and the Hopfield network with chaotic noise. Each of these models can be represented as a special case under the framework for certain conditions. This paper combines the framework with experimental results to provide new insights into the effect of the chaotic neurodynamics of each model. By solving the N-queen problem of various sizes with computer simulations, the CNN models are compared in different parameter spaces, with optimization performance measured in terms of feasibility, efficiency, robustness and scalability. Furthermore, characteristic chaotic neurodynamics crucial to effective optimization are identified, together with a guide to choosing the corresponding model 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.

Multi-scale strategies for dealing with moving contact lines

NASA Astrophysics Data System (ADS)

Smith, Edward R.; Theodorakis, Panagiotis; Craster, Richard V.; Matar, Omar K.

2017-11-01

Molecular dynamics (MD) has great potential to elucidate the dynamics of the moving contact line. As a more fundamental model, it can provide a priori results for fluid-liquid interfaces, surface tension, viscosity, phase change, and near wall stick-slip behaviour which typically show very good agreement to experimental results. However, modelling contact line motion combines all this complexity in a single problem. In this talk, MD simulations of the contact line are compared to the experimental results obtained from studying the dynamics of a sheared liquid bridge. The static contact angles are correctly matched to the experimental data for a range of different electro-wetting results. The moving contact line results are then compared for each of these electro-wetting values. Despite qualitative agreement, there are notable differences between the simulation and experiments. Many MD simulation have studied contact lines, and the sheared liquid bridge, so it is of interest to review the limitations of this setup in light of this discrepancy. A number of factors are discussed, including the inter-molecular interaction model, molecular-scale surface roughness, model of electro-wetting and, perhaps most importantly, the limited system sizes possible using MD simulation. EPSRC, UK, MEMPHIS program Grant (EP/K003976/1), RAEng Research Chair (OKM).

Model simulation studies to clarify the effect on saccadic eye movements of initial condition velocities set by the Vestibular Ocular Reflex (VOR)

NASA Technical Reports Server (NTRS)

Nam, M. H.; Winters, J. M.; Stark, L.

1981-01-01

Voluntary active head rotations produced vestibulo-ocular reflex eye movements (VOR) with the subject viewing a fixation target. When this target jumped, the size of the refixation saccades were a function of the ongoing initial velocity of the eye. Saccades made against the VOR were larger in magnitude. Simulation of a reciprocally innervated model eye movement provided results comparable to the experimental data. Most of the experimental effect appeared to be due to linear summation for saccades of 5 and 10 degree magnitude. For small saccades of 2.5 degrees, peripheral nonlinear interaction of state variables in the neuromuscular plant also played a role as proven by comparable behavior in the simulated model with known controller signals.

GROMOS polarizable charge-on-spring models for liquid urea: COS/U and COS/U2

NASA Astrophysics Data System (ADS)

Lin, Zhixiong; Bachmann, Stephan J.; van Gunsteren, Wilfred F.

2015-03-01

Two one-site polarizable urea models, COS/U and COS/U2, based on the charge-on-spring model are proposed. The models are parametrized against thermodynamic properties of urea-water mixtures in combination with the polarizable COS/G2 and COS/D2 models for liquid water, respectively, and have the same functional form of the inter-atomic interaction function and are based on the same parameter calibration procedure and type of experimental data as used to develop the GROMOS biomolecular force field. Thermodynamic, dielectric, and dynamic properties of urea-water mixtures simulated using the polarizable models are closer to experimental data than using the non-polarizable models. The COS/U and COS/U2 models may be used in biomolecular simulations of protein denaturation.

A FRAMEWORK TO DESIGN AND OPTIMIZE CHEMICAL FLOODING PROCESSES

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

Mojdeh Delshad; Gary A. Pope; Kamy Sepehrnoori

2005-07-01

The goal of this proposed research is to provide an efficient and user friendly simulation framework for screening and optimizing chemical/microbial enhanced oil recovery processes. The framework will include (1) a user friendly interface to identify the variables that have the most impact on oil recovery using the concept of experimental design and response surface maps, (2) UTCHEM reservoir simulator to perform the numerical simulations, and (3) an economic model that automatically imports the simulation production data to evaluate the profitability of a particular design. Such a reservoir simulation framework is not currently available to the oil industry. The objectivesmore » of Task 1 are to develop three primary modules representing reservoir, chemical, and well data. The modules will be interfaced with an already available experimental design model. The objective of the Task 2 is to incorporate UTCHEM reservoir simulator and the modules with the strategic variables and developing the response surface maps to identify the significant variables from each module. The objective of the Task 3 is to develop the economic model designed specifically for the chemical processes targeted in this proposal and interface the economic model with UTCHEM production output. Task 4 is on the validation of the framework and performing simulations of oil reservoirs to screen, design and optimize the chemical processes.« less

A Framework to Design and Optimize Chemical Flooding Processes

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

Mojdeh Delshad; Gary A. Pope; Kamy Sepehrnoori

2006-08-31

The goal of this proposed research is to provide an efficient and user friendly simulation framework for screening and optimizing chemical/microbial enhanced oil recovery processes. The framework will include (1) a user friendly interface to identify the variables that have the most impact on oil recovery using the concept of experimental design and response surface maps, (2) UTCHEM reservoir simulator to perform the numerical simulations, and (3) an economic model that automatically imports the simulation production data to evaluate the profitability of a particular design. Such a reservoir simulation framework is not currently available to the oil industry. The objectivesmore » of Task 1 are to develop three primary modules representing reservoir, chemical, and well data. The modules will be interfaced with an already available experimental design model. The objective of the Task 2 is to incorporate UTCHEM reservoir simulator and the modules with the strategic variables and developing the response surface maps to identify the significant variables from each module. The objective of the Task 3 is to develop the economic model designed specifically for the chemical processes targeted in this proposal and interface the economic model with UTCHEM production output. Task 4 is on the validation of the framework and performing simulations of oil reservoirs to screen, design and optimize the chemical processes.« less

A FRAMEWORK TO DESIGN AND OPTIMIZE CHEMICAL FLOODING PROCESSES

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

Mojdeh Delshad; Gary A. Pope; Kamy Sepehrnoori

2004-11-01

The goal of this proposed research is to provide an efficient and user friendly simulation framework for screening and optimizing chemical/microbial enhanced oil recovery processes. The framework will include (1) a user friendly interface to identify the variables that have the most impact on oil recovery using the concept of experimental design and response surface maps, (2) UTCHEM reservoir simulator to perform the numerical simulations, and (3) an economic model that automatically imports the simulation production data to evaluate the profitability of a particular design. Such a reservoir simulation framework is not currently available to the oil industry. The objectivesmore » of Task 1 are to develop three primary modules representing reservoir, chemical, and well data. The modules will be interfaced with an already available experimental design model. The objective of the Task 2 is to incorporate UTCHEM reservoir simulator and the modules with the strategic variables and developing the response surface maps to identify the significant variables from each module. The objective of the Task 3 is to develop the economic model designed specifically for the chemical processes targeted in this proposal and interface the economic model with UTCHEM production output. Task 4 is on the validation of the framework and performing simulations of oil reservoirs to screen, design and optimize the chemical processes.« less

An Enriched Shell Finite Element for Progressive Damage Simulation in Composite Laminates

NASA Technical Reports Server (NTRS)

McElroy, Mark W.

2016-01-01

A formulation is presented for an enriched shell nite element capable of progressive damage simulation in composite laminates. The element uses a discrete adaptive splitting approach for damage representation that allows for a straightforward model creation procedure based on an initially low delity mesh. The enriched element is veri ed for Mode I, Mode II, and mixed Mode I/II delamination simulation using numerical benchmark data. Experimental validation is performed using test data from a delamination-migration experiment. Good correlation was found between the enriched shell element model results and the numerical and experimental data sets. The work presented in this paper is meant to serve as a rst milestone in the enriched element's development with an ultimate goal of simulating three-dimensional progressive damage processes in multidirectional laminates.

Chaos and simple determinism in reversed field pinch plasmas: Nonlinear analysis of numerical simulation and experimental data

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

Watts, Christopher A.

In this dissertation the possibility that chaos and simple determinism are governing the dynamics of reversed field pinch (RFP) plasmas is investigated. To properly assess this possibility, data from both numerical simulations and experiment are analyzed. A large repertoire of nonlinear analysis techniques is used to identify low dimensional chaos in the data. These tools include phase portraits and Poincare sections, correlation dimension, the spectrum of Lyapunov exponents and short term predictability. In addition, nonlinear noise reduction techniques are applied to the experimental data in an attempt to extract any underlying deterministic dynamics. Two model systems are used to simulatemore » the plasma dynamics. These are the DEBS code, which models global RFP dynamics, and the dissipative trapped electron mode (DTEM) model, which models drift wave turbulence. Data from both simulations show strong indications of low dimensional chaos and simple determinism. Experimental date were obtained from the Madison Symmetric Torus RFP and consist of a wide array of both global and local diagnostic signals. None of the signals shows any indication of low dimensional chaos or low simple determinism. Moreover, most of the analysis tools indicate the experimental system is very high dimensional with properties similar to noise. Nonlinear noise reduction is unsuccessful at extracting an underlying deterministic system.« less

APEX Model Simulation for Row Crop Watersheds with Agroforestry and Grass Buffers

USDA-ARS?s Scientific Manuscript database

Watershed model simulation has become an important tool in studying ways and means to reduce transport of agricultural pollutants. Conducting field experiments to assess buffer influences on water quality are constrained by the large-scale nature of watersheds, high experimental costs, private owner...

An experimental comparison of the Marcus-Hush and Butler-Volmer descriptions of electrode kinetics applied to cyclic voltammetry. The one electron reductions of europium (III) and 2-methyl-2-nitropropane studied at a mercury microhemisphere electrode

NASA Astrophysics Data System (ADS)

Henstridge, Martin C.; Wang, Yijun; Limon-Petersen, Juan G.; Laborda, Eduardo; Compton, Richard G.

2011-11-01

We present a comparative experimental evaluation of the Butler-Volmer and Marcus-Hush models using cyclic voltammetry at a microelectrode. Numerical simulations are used to fit experimental voltammetry of the one electron reductions of europium (III) and 2-methyl-2-nitropropane, in water and acetonitrile, respectively, at a mercury microhemisphere electrode. For Eu (III) very accurate fits to experiment were obtained over a wide range of scan rates using Butler-Volmer kinetics, whereas the Marcus-Hush model was less accurate. The reduction of 2-methyl-2-nitropropane was well simulated by both models, however Marcus-Hush required a reorganisation energy lower than expected.

Large Eddy Simulation of Air Escape through a Hospital Isolation Room Single Hinged Doorway—Validation by Using Tracer Gases and Simulated Smoke Videos

PubMed Central

Saarinen, Pekka E.; Kalliomäki, Petri; Tang, Julian W.; Koskela, Hannu

2015-01-01

The use of hospital isolation rooms has increased considerably in recent years due to the worldwide outbreaks of various emerging infectious diseases. However, the passage of staff through isolation room doors is suspected to be a cause of containment failure, especially in case of hinged doors. It is therefore important to minimize inadvertent contaminant airflow leakage across the doorway during such movements. To this end, it is essential to investigate the behavior of such airflows, especially the overall volume of air that can potentially leak across the doorway during door-opening and human passage. Experimental measurements using full-scale mock-ups are expensive and labour intensive. A useful alternative approach is the application of Computational Fluid Dynamics (CFD) modelling using a time-resolved Large Eddy Simulation (LES) method. In this study simulated air flow patterns are qualitatively compared with experimental ones, and the simulated total volume of air that escapes is compared with the experimentally measured volume. It is shown that the LES method is able to reproduce, at room scale, the complex transient airflows generated during door-opening/closing motions and the passage of a human figure through the doorway between two rooms. This was a basic test case that was performed in an isothermal environment without ventilation. However, the advantage of the CFD approach is that the addition of ventilation airflows and a temperature difference between the rooms is, in principle, a relatively simple task. A standard method to observe flow structures is dosing smoke into the flow. In this paper we introduce graphical methods to simulate smoke experiments by LES, making it very easy to compare the CFD simulation to the experiments. The results demonstrate that the transient CFD simulation is a promising tool to compare different isolation room scenarios without the need to construct full-scale experimental models. The CFD model is able to reproduce the complex airflows and estimate the volume of air escaping as a function of time. In this test, the calculated migrated air volume in the CFD model differed by 20% from the experimental tracer gas measurements. In the case containing only a hinged door operation, without passage, the difference was only 10%. PMID:26151865

Towards self-consistent plasma modelisation in presence of neoclassical tearing mode and sawteeth: effects on transport coefficients

NASA Astrophysics Data System (ADS)

Basiuk, V.; Huynh, P.; Merle, A.; Nowak, S.; Sauter, O.; Contributors, JET; the EUROfusion-IM Team

2017-12-01

The neoclassical tearing modes (NTM) increase the effective heat and particle radial transport inside the plasma, leading to a flattening of the electron and ion temperature and density profiles at a given location depending on the safety factor q rational surface (Hegna and Callen 1997 Phys. Plasmas 4 2940). In burning plasma such as in ITER, this NTM-induced increased transport could reduce significantly the fusion performance and even lead to a disruption. Validating models describing the NTM-induced transport in present experiment is thus important to help quantifying this effect on future devices. In this work, we apply an NTM model to an integrated simulation of current, heat and particle transport on JET discharges using the European transport simulator. In this model, the heat and particle radial transport coefficients are modified by a Gaussian function locally centered at the NTM position and characterized by a full width proportional to the island size through a constant parameter adapted to obtain the best simulations of experimental profiles. In the simulation, the NTM model is turned on at the same time as the mode is triggered in the experiment. The island evolution is itself determined by the modified Rutherford equation, using self-consistent plasma parameters determined by the transport evolution. The achieved simulation reproduces the experimental measurements within the error bars, before and during the NTM. A small discrepancy is observed on the radial location of the island due to a shift of the position of the computed q = 3/2 surface compared to the experimental one. To explain such small shift (up to about 12% with respect to the position observed from the experimental electron temperature profiles), sensitivity studies of the NTM location as a function of the initialization parameters are presented. First results validate both the transport model and the transport modification calculated by the NTM model.

Thermal conductivity of molten salt mixtures: Theoretical model supported by equilibrium molecular dynamics simulations.

PubMed

Gheribi, Aïmen E; Chartrand, Patrice

2016-02-28

A theoretical model for the description of thermal conductivity of molten salt mixtures as a function of composition and temperature is presented. The model is derived by considering the classical kinetic theory and requires, for its parametrization, only information on thermal conductivity of pure compounds. In this sense, the model is predictive. For most molten salt mixtures, no experimental data on thermal conductivity are available in the literature. This is a hindrance for many industrial applications (in particular for thermal energy storage technologies) as well as an obvious barrier for the validation of the theoretical model. To alleviate this lack of data, a series of equilibrium molecular dynamics (EMD) simulations has been performed on several molten chloride systems in order to determine their thermal conductivity in the entire range of composition at two different temperatures: 1200 K and 1300 K. The EMD simulations are first principles type, as the potentials used to describe the interactions have been parametrized on the basis of first principle electronic structure calculations. In addition to the molten chlorides system, the model predictions are also compared to a recent similar EMD study on molten fluorides and with the few reliable experimental data available in the literature. The accuracy of the proposed model is within the reported numerical and/or experimental errors.

Monte Carlo simulation of ionizing radiation induced DNA strand breaks utilizing coarse grained high-order chromatin structures.

PubMed

Liang, Ying; Yang, Gen; Liu, Feng; Wang, Yugang

2016-01-07

Ionizing radiation threatens genome integrity by causing DNA damage. Monte Carlo simulation of the interaction of a radiation track structure with DNA provides a powerful tool for investigating the mechanisms of the biological effects. However, the more or less oversimplification of the indirect effect and the inadequate consideration of high-order chromatin structures in current models usually results in discrepancies between simulations and experiments, which undermine the predictive role of the models. Here we present a biophysical model taking into consideration factors that influence indirect effect to simulate radiation-induced DNA strand breaks in eukaryotic cells with high-order chromatin structures. The calculated yields of single-strand breaks and double-strand breaks (DSBs) for photons are in good agreement with the experimental measurements. The calculated yields of DSB for protons and α particles are consistent with simulations by the PARTRAC code, whereas an overestimation is seen compared with the experimental results. The simulated fragment size distributions for (60)Co γ irradiation and α particle irradiation are compared with the measurements accordingly. The excellent agreement with (60)Co irradiation validates our model in simulating photon irradiation. The general agreement found in α particle irradiation encourages model applicability in the high linear energy transfer range. Moreover, we demonstrate the importance of chromatin high-order structures in shaping the spectrum of initial damage.

Development and validation of a model of bio-barriers for remediation of Cr(VI) contaminated aquifers using laboratory column experiments.

PubMed

Shashidhar, T; Bhallamudi, S Murty; Philip, Ligy

2007-07-16

Bench scale transport and biotransformation experiments and mathematical model simulations were carried out to study the effectiveness of bio-barriers for the containment of hexavalent chromium in contaminated confined aquifers. Experimental results showed that a 10cm thick bio-barrier with an initial biomass concentration of 0.205mg/g of soil was able to completely contain a Cr(VI) plume of 25mg/L concentration. It was also observed that pore water velocity and initial biomass concentration are the most significant parameters in the containment of Cr(VI). The mathematical model developed is based on one-dimensional advection-dispersion reaction equations for Cr(VI) and molasses in saturated, homogeneous porous medium. The transport of Cr(VI) and molasses is coupled with adsorption and Monod's inhibition kinetics for immobile bacteria. It was found that, in general, the model was able to simulate the experimental results satisfactorily. However, there was disparity between the numerically simulated and experimental breakthrough curves for Cr(VI) and molasses in cases where there was high clay content and high microbial activity. The mathematical model could contribute towards improved designs of future bio-barriers for the remediation of Cr(VI) contaminated aquifers.

Modeling electron emission and surface effects from diamond cathodes

NASA Astrophysics Data System (ADS)

Dimitrov, D. A.; Smithe, D.; Cary, J. R.; Ben-Zvi, I.; Rao, T.; Smedley, J.; Wang, E.

2015-02-01

We developed modeling capabilities, within the Vorpal particle-in-cell code, for three-dimensional simulations of surface effects and electron emission from semiconductor photocathodes. They include calculation of emission probabilities using general, piece-wise continuous, space-time dependent surface potentials, effective mass, and band bending field effects. We applied these models, in combination with previously implemented capabilities for modeling charge generation and transport in diamond, to investigate the emission dependence on applied electric field in the range from approximately 2 MV/m to 17 MV/m along the [100] direction. The simulation results were compared to experimental data. For the considered parameter regime, conservation of transverse electron momentum (in the plane of the emission surface) allows direct emission from only two (parallel to [100]) of the six equivalent lowest conduction band valleys. When the electron affinity χ is the only parameter varied in the simulations, the value χ = 0.31 eV leads to overall qualitative agreement with the probability of emission deduced from experiments. Including band bending in the simulations improves the agreement with the experimental data, particularly at low applied fields, but not significantly. Using surface potentials with different profiles further allows us to investigate the emission as a function of potential barrier height, width, and vacuum level position. However, adding surface patches with different levels of hydrogenation, modeled with position-dependent electron affinity, leads to the closest agreement with the experimental data.

Comparisons of Mixed-Phase Icing Cloud Simulations with Experiments Conducted at the NASA Propulsion Systems Laboratory

NASA Technical Reports Server (NTRS)

Bartkus, Tadas P.; Struk, Peter M.; Tsao, Jen-Ching

2017-01-01

This paper builds on previous work that compares numerical simulations of mixed-phase icing clouds with experimental data. The model couples the thermal interaction between ice particles and water droplets of the icing cloud with the flowing air of an icing wind tunnel for simulation of NASA Glenn Research Centers (GRC) Propulsion Systems Laboratory (PSL). Measurements were taken during the Fundamentals of Ice Crystal Icing Physics Tests at the PSL tunnel in March 2016. The tests simulated ice-crystal and mixed-phase icing that relate to ice accretions within turbofan engines. Experimentally measured air temperature, humidity, total water content, liquid and ice water content, as well as cloud particle size, are compared with model predictions. The model showed good trend agreement with experimentally measured values, but often over-predicted aero-thermodynamic changes. This discrepancy is likely attributed to radial variations that this one-dimensional model does not address. One of the key findings of this work is that greater aero-thermodynamic changes occur when humidity conditions are low. In addition a range of mixed-phase clouds can be achieved by varying only the tunnel humidity conditions, but the range of humidities to generate a mixed-phase cloud becomes smaller when clouds are composed of smaller particles. In general, the model predicted melt fraction well, in particular with clouds composed of larger particle sizes.

A hybrid experimental-numerical technique for determining 3D velocity fields from planar 2D PIV data

NASA Astrophysics Data System (ADS)

Eden, A.; Sigurdson, M.; Mezić, I.; Meinhart, C. D.

2016-09-01

Knowledge of 3D, three component velocity fields is central to the understanding and development of effective microfluidic devices for lab-on-chip mixing applications. In this paper we present a hybrid experimental-numerical method for the generation of 3D flow information from 2D particle image velocimetry (PIV) experimental data and finite element simulations of an alternating current electrothermal (ACET) micromixer. A numerical least-squares optimization algorithm is applied to a theory-based 3D multiphysics simulation in conjunction with 2D PIV data to generate an improved estimation of the steady state velocity field. This 3D velocity field can be used to assess mixing phenomena more accurately than would be possible through simulation alone. Our technique can also be used to estimate uncertain quantities in experimental situations by fitting the gathered field data to a simulated physical model. The optimization algorithm reduced the root-mean-squared difference between the experimental and simulated velocity fields in the target region by more than a factor of 4, resulting in an average error less than 12% of the average velocity magnitude.

Simulation of thermally induced processes of diffusion and phase formation in layered binary metallic systems

NASA Astrophysics Data System (ADS)

Rusakov, V. S.; Sukhorukov, I. A.; Zhankadamova, A. M.; Kadyrzhanov, K. K.

2010-05-01

Results of the simulation of thermally induced processes of diffusion and phase formation in model and experimentally investigated layered binary metallic systems are presented. The physical model is based on the Darken phenomenological theory and on the mechanism of interdiffusion of components along the continuous diffusion channels of phases in the two-phase regions of the system. The simulation of processes in the model systems showed that the thermally stabilized concentration profiles in two-layer binary metallic systems are virtually independent of the partial diffusion coefficients; for the systems with the average concentration of components that is the same over the sample depth, the time of the thermal stabilization of the structural and phase state inhomogeneous over the depth grows according to a power law with increasing thickness of the system in such a manner that the thicknesses of the surface layers grow, while the thickness of the intermediate layer approaches a constant value. The results of the simulation of the processes of diffusion and phase formation in experimentally investigated layered binary systems Fe-Ti and Cu-Be upon sequential isothermal and isochronous annealings agree well with the experimental data.

Energy levels scheme simulation of divalent cobalt doped bismuth germanate

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

Andreici, Emiliana-Laura, E-mail: andreicilaura@yahoo.com; Petkova, Petya; Avram, Nicolae M.

The aim of this paper is to simulate the energy levels scheme for Bismuth Germanate (BGO) doped with divalent cobalt, in order to give a reliable explanation for spectral experimental data. In the semiempirical crystal field theory we first modeled the Crystal Field Parameters (CFPs) of BGO:Cr{sup 2+} system, in the frame of Exchange Charge Model (ECM), with actually site symmetry of the impurity ions after doping. The values of CFPs depend on the geometry of doped host matrix and by parameter G of ECM. First, we optimized the geometry of undoped BGO host matrix and afterwards, that of dopedmore » BGO with divalent cobalt. The charges effect of ligands and covalence bonding between cobalt cations and oxygen anions, in the cluster approach, also were taken into account. With the obtained values of the CFPs we simulate the energy levels scheme of cobalt ions, by diagonalizing the matrix of the doped crystal Hamiltonian. Obviously, energy levels and estimated Racah parameters B and C were compared with the experimental spectroscopic data and discussed. Comparison of obtained results with experimental data shows quite satisfactory, which justify the model and simulation schemes used for the title system.« less

Numerical simulation of the laser welding process for the prediction of temperature distribution on welded aluminium aircraft components

NASA Astrophysics Data System (ADS)

Tsirkas, S. A.

2018-03-01

The present investigation is focused to the modelling of the temperature field in aluminium aircraft components welded by a CO2 laser. A three-dimensional finite element model has been developed to simulate the laser welding process and predict the temperature distribution in T-joint laser welded plates with fillet material. The simulation of the laser beam welding process was performed using a nonlinear heat transfer analysis, based on a keyhole formation model analysis. The model employs the technique of element ;birth and death; in order to simulate the weld fillet. Various phenomena associated with welding like temperature dependent material properties and heat losses through convection and radiation were accounted for in the model. The materials considered were 6056-T78 and 6013-T4 aluminium alloys, commonly used for aircraft components. The temperature distribution during laser welding process has been calculated numerically and validated by experimental measurements on different locations of the welded structure. The numerical results are in good agreement with the experimental measurements.

Macroscopic analysis of gas-jet wiping: Numerical simulation and experimental approach

NASA Astrophysics Data System (ADS)

Lacanette, Delphine; Gosset, Anne; Vincent, Stéphane; Buchlin, Jean-Marie; Arquis, Éric

2006-04-01

Coating techniques are frequently used in industrial processes such as paper manufacturing, wire sleeving, and in the iron and steel industry. Depending on the application considered, the thickness of the resulting substrate is controlled by mechanical (scraper), electromagnetic (if the entrained fluid is appropriated), or hydrodynamic (gas-jet wiping) operations. This paper deals with the latter process, referred to as gas-jet wiping, in which a turbulent slot jet is used to wipe the coating film dragged by a moving substrate. This mechanism relies on the gas-jet-liquid film interaction taking place on the moving surface. The aim of this study is to compare the results obtained by a lubrication one-dimensional model, numerical volume of fluid-large eddy simulation (VOF-LES) modeling and an experimental approach. The investigation emphasizes the effect of the controlling wiping parameters, i.e., the pressure gradient and shear stress distributions induced by the jet, on the shape of the liquid film. Those profiles obtained experimentally and numerically for a jet impinging on a dry fixed surface are compared. The effect of the substrate motion and the presence of the dragged liquid film on these actuators are analyzed through numerical simulations. Good agreement is found between the film thickness profile in the wiping zone obtained from the VOF-LES simulations and with the analytical model, provided that a good model for the wiping actuators is used. The effect of the gas-jet nozzle to substrate standoff distance on the final coating thickness is analyzed; the experimental and predicted values are compared for a wide set of conditions. Finally, the occurrence of the splashing phenomenon, which is characterized by the ejection of droplets from the runback film flow at jet impingement, thus limiting the wiping process, is investigated through experiments and numerical simulations.

The simulation and experimental validation on gas-solid two phase flow in the riser of a dense fluidized bed

NASA Astrophysics Data System (ADS)

Wang, Xue-Yao; Jiang, Fan; Xu, Xiang; Wang, Sheng-Dian; Fan, Bao-Guo; Xiao, Yun-Han

2009-06-01

Gas-solid flow in dense CFB (circulating fluidized bed)) riser under the operating condition, superficial gas 15.5 m/s and solid flux 140 kg/m2s using Geldart B particles (sand) was investigated by experiments and CFD (computational fluid dynamics) simulation. The overall and local flow characteristics are determined using the axial pressure profiles and solid concentration profiles. The cold experimental results indicate that the axial solid concentration distribution contains a dilute region towards the up-middle zone and a dense region near the bottom and the top exit zones. The typical core-annulus structure and the back-mixing phenomenon near the wall of the riser can be observed. In addition, owing to the key role of the drag force of gas-solid phase, a revised drag force coefficient, based on the EMMS (energy-minimization multi-scale) model which can depict the heterogeneous character of gas-solid two phase flow, was proposed and coupled into the CFD control equations. In order to find an appropriate drag force model for the simulation of dense CFB riser, not only the revised drag force model but some other kinds of drag force model were used in the CFD. The flow structure, solid concentration, clusters phenomenon, fluctuation of two phases and axial pressure drop were analyzed. By comparing the experiment with the simulation, the results predicted by the EMMS drag model showed a better agreement with the experimental axial average pressure drop and apparent solid volume fraction, which proves that the revised drag force based on the EMMS model is an appropriate model for the dense CFB simulation.

Analysis Model and Numerical Simulation of Thermoelectric Response of CFRP Composites

NASA Astrophysics Data System (ADS)

Lin, Yueguo

2018-05-01

An electric current generates Joule heating, and under steady state conditions, a sample exhibits a balance between the strength dissipated by the Joule effect and the heat exchange with the environment by radiation and convection. In the present paper, theoretical model, numerical FEM and experimental methods have been used to analyze the radiation and free convection properties in CFRP composite samples heated by an electric current. The materials employed in these samples have applications in many aeronautic devices. This study addresses two types of composite materials, UD [0]8 and QI [45/90/-45/0]S, which were prepared for thermoelectric experiments. A DC electric current (ranging from 1A to 8A) was injected through the specimen ends to find the coupling effect between the electric current and temperature. An FE model and simplified thermoelectric analysis model are presented in detail to represent the thermoelectric data. These are compared with the experimental results. All of the test equipments used to obtain the experimental data and the numerical simulations are characterized, and we find that the numerical simulations correspond well with the experiments. The temperature of the surface of the specimen is almost proportional to the electric current. The simplified analysis model was used to calculate the balance time of the temperature, which is consistent throughout all of the experimental investigations.

Experimental demonstration of a quantum annealing algorithm for the traveling salesman problem in a nuclear-magnetic-resonance quantum simulator

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

Chen Hongwei; High Magnetic Field Laboratory, Hefei Institutes of Physical Science, Chinese Academy of Sciences, Hefei 230031; Kong Xi

The method of quantum annealing (QA) is a promising way for solving many optimization problems in both classical and quantum information theory. The main advantage of this approach, compared with the gate model, is the robustness of the operations against errors originated from both external controls and the environment. In this work, we succeed in demonstrating experimentally an application of the method of QA to a simplified version of the traveling salesman problem by simulating the corresponding Schroedinger evolution with a NMR quantum simulator. The experimental results unambiguously yielded the optimal traveling route, in good agreement with the theoretical prediction.

Numerical simulation of small-scale thermal convection in the atmosphere

NASA Technical Reports Server (NTRS)

Somerville, R. C. J.

1973-01-01

A Boussinesq system is integrated numerically in three dimensions and time in a study of nonhydrostatic convection in the atmosphere. Simulation of cloud convection is achieved by the inclusion of parametrized effects of latent heat and small-scale turbulence. The results are compared with the cell structure observed in Rayleigh-Benard laboratory conversion experiments in air. At a Rayleigh number of 4000, the numerical model adequately simulates the experimentally observed evolution, including some prominent transients of a flow from a randomly perturbed initial conductive state into the final state of steady large-amplitude two-dimensional rolls. At Rayleigh number 9000, the model reproduces the experimentally observed unsteady equilibrium of vertically coherent oscillatory waves superimposed on rolls.

Issues for Simulation of Galactic Cosmic Ray Exposures for Radiobiological Research at Ground-Based Accelerators

PubMed Central

Kim, Myung-Hee Y.; Rusek, Adam; Cucinotta, Francis A.

2015-01-01

For radiobiology research on the health risks of galactic cosmic rays (GCR) ground-based accelerators have been used with mono-energetic beams of single high charge, Z and energy, E (HZE) particles. In this paper, we consider the pros and cons of a GCR reference field at a particle accelerator. At the NASA Space Radiation Laboratory (NSRL), we have proposed a GCR simulator, which implements a new rapid switching mode and higher energy beam extraction to 1.5 GeV/u, in order to integrate multiple ions into a single simulation within hours or longer for chronic exposures. After considering the GCR environment and energy limitations of NSRL, we performed extensive simulation studies using the stochastic transport code, GERMcode (GCR Event Risk Model) to define a GCR reference field using 9 HZE particle beam–energy combinations each with a unique absorber thickness to provide fragmentation and 10 or more energies of proton and 4He beams. The reference field is shown to well represent the charge dependence of GCR dose in several energy bins behind shielding compared to a simulated GCR environment. However, a more significant challenge for space radiobiology research is to consider chronic GCR exposure of up to 3 years in relation to simulations with animal models of human risks. We discuss issues in approaches to map important biological time scales in experimental models using ground-based simulation, with extended exposure of up to a few weeks using chronic or fractionation exposures. A kinetics model of HZE particle hit probabilities suggests that experimental simulations of several weeks will be needed to avoid high fluence rate artifacts, which places limitations on the experiments to be performed. Ultimately risk estimates are limited by theoretical understanding, and focus on improving knowledge of mechanisms and development of experimental models to improve this understanding should remain the highest priority for space radiobiology research. PMID:26090339

Incorporating neurophysiological concepts in mathematical thermoregulation models

NASA Astrophysics Data System (ADS)

Kingma, Boris R. M.; Vosselman, M. J.; Frijns, A. J. H.; van Steenhoven, A. A.; van Marken Lichtenbelt, W. D.

2014-01-01

Skin blood flow (SBF) is a key player in human thermoregulation during mild thermal challenges. Various numerical models of SBF regulation exist. However, none explicitly incorporates the neurophysiology of thermal reception. This study tested a new SBF model that is in line with experimental data on thermal reception and the neurophysiological pathways involved in thermoregulatory SBF control. Additionally, a numerical thermoregulation model was used as a platform to test the function of the neurophysiological SBF model for skin temperature simulation. The prediction-error of the SBF-model was quantified by root-mean-squared-residual (RMSR) between simulations and experimental measurement data. Measurement data consisted of SBF (abdomen, forearm, hand), core and skin temperature recordings of young males during three transient thermal challenges (1 development and 2 validation). Additionally, ThermoSEM, a thermoregulation model, was used to simulate body temperatures using the new neurophysiological SBF-model. The RMSR between simulated and measured mean skin temperature was used to validate the model. The neurophysiological model predicted SBF with an accuracy of RMSR < 0.27. Tskin simulation results were within 0.37 °C of the measured mean skin temperature. This study shows that (1) thermal reception and neurophysiological pathways involved in thermoregulatory SBF control can be captured in a mathematical model, and (2) human thermoregulation models can be equipped with SBF control functions that are based on neurophysiology without loss of performance. The neurophysiological approach in modelling thermoregulation is favourable over engineering approaches because it is more in line with the underlying physiology.

Evaluation of a musculoskeletal model with prosthetic knee through six experimental gait trials.

PubMed

Kia, Mohammad; Stylianou, Antonis P; Guess, Trent M

2014-03-01

Knowledge of the forces acting on musculoskeletal joint tissues during movement benefits tissue engineering, artificial joint replacement, and our understanding of ligament and cartilage injury. Computational models can be used to predict these internal forces, but musculoskeletal models that simultaneously calculate muscle force and the resulting loading on joint structures are rare. This study used publicly available gait, skeletal geometry, and instrumented prosthetic knee loading data [1] to evaluate muscle driven forward dynamics simulations of walking. Inputs to the simulation were measured kinematics and outputs included muscle, ground reaction, ligament, and joint contact forces. A full body musculoskeletal model with subject specific lower extremity geometries was developed in the multibody framework. A compliant contact was defined between the prosthetic femoral component and tibia insert geometries. Ligament structures were modeled with a nonlinear force-strain relationship. The model included 45 muscles on the right lower leg. During forward dynamics simulations a feedback control scheme calculated muscle forces using the error signal between the current muscle lengths and the lengths recorded during inverse kinematics simulations. Predicted tibio-femoral contact force, ground reaction forces, and muscle forces were compared to experimental measurements for six different gait trials using three different gait types (normal, trunk sway, and medial thrust). The mean average deviation (MAD) and root mean square deviation (RMSD) over one gait cycle are reported. The muscle driven forward dynamics simulations were computationally efficient and consistently reproduced the inverse kinematics motion. The forward simulations also predicted total knee contact forces (166N

Fast Whole-Engine Stirling Analysis

NASA Technical Reports Server (NTRS)

Dyson, Rodger W.; Wilson, Scott D.; Tew, Roy C.; Demko, Rikako

2005-01-01

An experimentally validated approach is described for fast axisymmetric Stirling engine simulations. These simulations include the entire displacer interior and demonstrate it is possible to model a complete engine cycle in less than an hour. The focus of this effort was to demonstrate it is possible to produce useful Stirling engine performance results in a time-frame short enough to impact design decisions. The combination of utilizing the latest 64-bit Opteron computer processors, fiber-optical Myrinet communications, dynamic meshing, and across zone partitioning has enabled solution times at least 240 times faster than previous attempts at simulating the axisymmetric Stirling engine. A comparison of the multidimensional results, calibrated one-dimensional results, and known experimental results is shown. This preliminary comparison demonstrates that axisymmetric simulations can be very accurate, but more work remains to improve the simulations through such means as modifying the thermal equilibrium regenerator models, adding fluid-structure interactions, including radiation effects, and incorporating mechanodynamics.

Fast Whole-Engine Stirling Analysis

NASA Technical Reports Server (NTRS)

Dyson, Rodger W.; Wilson, Scott D.; Tew, Roy C.; Demko, Rikako

2007-01-01

An experimentally validated approach is described for fast axisymmetric Stirling engine simulations. These simulations include the entire displacer interior and demonstrate it is possible to model a complete engine cycle in less than an hour. The focus of this effort was to demonstrate it is possible to produce useful Stirling engine performance results in a time-frame short enough to impact design decisions. The combination of utilizing the latest 64-bit Opteron computer processors, fiber-optical Myrinet communications, dynamic meshing, and across zone partitioning has enabled solution times at least 240 times faster than previous attempts at simulating the axisymmetric Stirling engine. A comparison of the multidimensional results, calibrated one-dimensional results, and known experimental results is shown. This preliminary comparison demonstrates that axisymmetric simulations can be very accurate, but more work remains to improve the simulations through such means as modifying the thermal equilibrium regenerator models, adding fluid-structure interactions, including radiation effects, and incorporating mechanodynamics.

Collaborative simulations and experiments for a novel yield model of coal devolatilization in oxy-coal combustion conditions

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

Iavarone, Salvatore; Smith, Sean T.; Smith, Philip J.

Oxy-coal combustion is an emerging low-cost “clean coal” technology for emissions reduction and Carbon Capture and Sequestration (CCS). The use of Computational Fluid Dynamics (CFD) tools is crucial for the development of cost-effective oxy-fuel technologies and the minimization of environmental concerns at industrial scale. The coupling of detailed chemistry models and CFD simulations is still challenging, especially for large-scale plants, because of the high computational efforts required. The development of scale-bridging models is therefore necessary, to find a good compromise between computational efforts and the physical-chemical modeling precision. This paper presents a procedure for scale-bridging modeling of coal devolatilization, inmore » the presence of experimental error, that puts emphasis on the thermodynamic aspect of devolatilization, namely the final volatile yield of coal, rather than kinetics. The procedure consists of an engineering approach based on dataset consistency and Bayesian methodology including Gaussian-Process Regression (GPR). Experimental data from devolatilization tests carried out in an oxy-coal entrained flow reactor were considered and CFD simulations of the reactor were performed. Jointly evaluating experiments and simulations, a novel yield model was validated against the data via consistency analysis. In parallel, a Gaussian-Process Regression was performed, to improve the understanding of the uncertainty associated to the devolatilization, based on the experimental measurements. Potential model forms that could predict yield during devolatilization were obtained. The set of model forms obtained via GPR includes the yield model that was proven to be consistent with the data. Finally, the overall procedure has resulted in a novel yield model for coal devolatilization and in a valuable evaluation of uncertainty in the data, in the model form, and in the model parameters.« less

Collaborative simulations and experiments for a novel yield model of coal devolatilization in oxy-coal combustion conditions

DOE PAGES

Iavarone, Salvatore; Smith, Sean T.; Smith, Philip J.; ...

2017-06-03

Oxy-coal combustion is an emerging low-cost “clean coal” technology for emissions reduction and Carbon Capture and Sequestration (CCS). The use of Computational Fluid Dynamics (CFD) tools is crucial for the development of cost-effective oxy-fuel technologies and the minimization of environmental concerns at industrial scale. The coupling of detailed chemistry models and CFD simulations is still challenging, especially for large-scale plants, because of the high computational efforts required. The development of scale-bridging models is therefore necessary, to find a good compromise between computational efforts and the physical-chemical modeling precision. This paper presents a procedure for scale-bridging modeling of coal devolatilization, inmore » the presence of experimental error, that puts emphasis on the thermodynamic aspect of devolatilization, namely the final volatile yield of coal, rather than kinetics. The procedure consists of an engineering approach based on dataset consistency and Bayesian methodology including Gaussian-Process Regression (GPR). Experimental data from devolatilization tests carried out in an oxy-coal entrained flow reactor were considered and CFD simulations of the reactor were performed. Jointly evaluating experiments and simulations, a novel yield model was validated against the data via consistency analysis. In parallel, a Gaussian-Process Regression was performed, to improve the understanding of the uncertainty associated to the devolatilization, based on the experimental measurements. Potential model forms that could predict yield during devolatilization were obtained. The set of model forms obtained via GPR includes the yield model that was proven to be consistent with the data. Finally, the overall procedure has resulted in a novel yield model for coal devolatilization and in a valuable evaluation of uncertainty in the data, in the model form, and in the model parameters.« less

An elasto-viscoplastic interface model for investigating the constitutive behavior of nacre

NASA Astrophysics Data System (ADS)

Tang, H.; Barthelat, F.; Espinosa, H. D.

2007-07-01

In order to better understand the strengthening mechanism observed in nacre, we have developed an interface computational model to simulate the behavior of the organic present at the interface between aragonite tablets. In the model, the single polymer-chain behavior is characterized by the worm-like-chain (WLC) model, which is in turn incorporated into the eight-chain cell model developed by Arruda and Boyce [Arruda, E.M., Boyce, M.C., 1993a. A three-dimensional constitutive model for the large stretches, with application to polymeric glasses. Int. J. Solids Struct. 40, 389-412] to achieve a continuum interface constitutive description. The interface model is formulated within a finite-deformation framework. A fully implicit time-integration algorithm is used for solving the discretized governing equations. Finite element simulations were performed on a representative volume element (RVE) to investigate the tensile response of nacre. The staggered arrangement of tablets and interface waviness obtained experimentally by Barthelat et al. [Barthelat, F., Tang, H., Zavattieri, P.D., Li, C.-M., Espinosa, H.D., 2007. On the mechanics of mother-of-pearl: a key feature in the material hierarchical structure. J. Mech. Phys. Solids 55 (2), 306-337] was included in the RVE simulations. The simulations showed that both the rate-dependence of the tensile response and hysteresis loops during loading, unloading and reloading cycles were captured by the model. Through a parametric study, the effect of the polymer constitutive response during tablet-climbing and its relation to interface hardening was investigated. It is shown that stiffening of the organic material is not required to achieve the experimentally observed strain hardening of nacre during tension. In fact, when ratios of contour length/persistent length experimentally identified are employed in the simulations, the predicted stress-strain behavior exhibits a deformation hardening consistent with the one measured experimentally and also captured by the phenomenological cohesive model used in the study carried out by Barthelat et al. [Barthelat, F., Tang, H., Zavattieri, P.D., Li, C.-M., Espinosa, H.D., 2007. On the mechanics of mother-of-pearl: a key feature in the material hierarchical structure. J. Mech. Phys. Solids 55 (2), 306-337]. The simulation results also reveal that the bulk modulus of the polymer controls the rate of hardening, feature not captured by more simple cohesive laws.

A new OLED SPICE model for pixel circuit simulation in OLED-on-silicon microdisplay design

NASA Astrophysics Data System (ADS)

Bohua, Zhao; Ran, Huang; Jianhui, Bu; Yinxue, Lü; Yiqi, Wang; Fei, Ma; Guohua, Xie; Zhensong, Zhang; Huan, Du; Jiajun, Luo; Zhengsheng, Han; Yi, Zhao

2012-07-01

A new equivalent circuit model of organic-light-emitting-diode (OLED) is proposed. As the single-diode model is able to approximate OLED behavior as well as the multiple-diode model, the new model will be built based on it. In order to make sure that the experimental and simulated data are in good agreement, the constant resistor is exchanged for an exponential resistor in the new model. Compared with the measured data and the results of the other two OLED SPICE models, the simulated I—V characteristics of the new model match the measured data much better. This new model can be directly incorporated into an SPICE circuit simulator and presents good accuracy over the whole operating voltage.

Palpation Simulator of Beating Aorta for Cardiovascular Surgery Training

NASA Astrophysics Data System (ADS)

Yamamoto, Yasuhiro; Nakao, Megumi; Kuroda, Tomohiro; Oyama, Hiroshi; Komori, Masaru; Matsuda, Tetsuya; Sakaguchi, Genichi; Komeda, Masashi; Takahashi, Takashi

In field of cardiovascular surgeries, palpation of aorta plays important roles in decision of surgical site.This paper develops palpation simulator of aorta based on a finite element based physical model.The proposed model calculates soft tissue deformation according to the affection of inner pressure and the operation of a surgeon.The proposed method is implemented on a prototype with dual PHANToM device.Experimental results confirmed our model achieves real time simulation of the surgical palpation.

Characterizing Fracturing of Clay-Rich Lower Watrous Rock: From Laboratory Experiments to Nonlocal Damage-Based Simulations

NASA Astrophysics Data System (ADS)

Guy, N.; Seyedi, D. M.; Hild, F.

2018-06-01

The work presented herein aims at characterizing and modeling fracturing (i.e., initiation and propagation of cracks) in a clay-rich rock. The analysis is based on two experimental campaigns. The first one relies on a probabilistic analysis of crack initiation considering Brazilian and three-point flexural tests. The second one involves digital image correlation to characterize crack propagation. A nonlocal damage model based on stress regularization is used for the simulations. Two thresholds both based on regularized stress fields are considered. They are determined from the experimental campaigns performed on Lower Watrous rock. The results obtained with the proposed approach are favorably compared with the experimental results.

Numerical Simulation of Dry Granular Flow Impacting a Rigid Wall Using the Discrete Element Method

PubMed Central

Wu, Fengyuan; Fan, Yunyun; Liang, Li; Wang, Chao

2016-01-01

This paper presents a clump model based on Discrete Element Method. The clump model was more close to the real particle than a spherical particle. Numerical simulations of several tests of dry granular flow impacting a rigid wall flowing in an inclined chute have been achieved. Five clump models with different sphericity have been used in the simulations. By comparing the simulation results with the experimental results of normal force on the rigid wall, a clump model with better sphericity was selected to complete the following numerical simulation analysis and discussion. The calculation results of normal force showed good agreement with the experimental results, which verify the effectiveness of the clump model. Then, total normal force and bending moment of the rigid wall and motion process of the granular flow were further analyzed. Finally, comparison analysis of the numerical simulations using the clump model with different grain composition was obtained. By observing normal force on the rigid wall and distribution of particle size at the front of the rigid wall at the final state, the effect of grain composition on the force of the rigid wall has been revealed. It mainly showed that, with the increase of the particle size, the peak force at the retaining wall also increase. The result can provide a basis for the research of relevant disaster and the design of protective structures. PMID:27513661

The control of flexible structure vibrations using a cantilevered adaptive truss

NASA Technical Reports Server (NTRS)

Wynn, Robert H., Jr.; Robertshaw, Harry H.

1991-01-01

Analytical and experimental procedures and design tools are presented for the control of flexible structure vibrations using a cantilevered adaptive truss. Simulated and experimental data are examined for three types of structures: a slender beam, a single curved beam, and two curved beams. The adaptive truss is shown to produce a 6,000-percent increase in damping, demonstrating its potential in vibration control. Good agreement is obtained between the simulated and experimental data, thus validating the modeling methods.

A Hybrid Model for Multiscale Laser Plasma Simulations with Detailed Collisional Physics

DTIC Science & Technology

2017-06-23

the effects of inelastic collisions on the Multi-Fluid description of plasmas. 15. SUBJECT TERMS Electric propulsion; plasma; collisional...modeling as well as the effects of inelastic collisions on the Multi-Fluid description of plasmas. This work has been recognized in two workshop...encountered during simulation was to define when breakdown occurred during the simulation and correlating the results to the experimentally determined

Numerical and experimental investigations on cavitation erosion

NASA Astrophysics Data System (ADS)

Fortes Patella, R.; Archer, A.; Flageul, C.

2012-11-01

A method is proposed to predict cavitation damage from cavitating flow simulations. For this purpose, a numerical process coupling cavitating flow simulations and erosion models was developed and applied to a two-dimensional (2D) hydrofoil tested at TUD (Darmstadt University of Technology, Germany) [1] and to a NACA 65012 tested at LMH-EPFL (Lausanne Polytechnic School) [2]. Cavitation erosion tests (pitting tests) were carried out and a 3D laser profilometry was used to analyze surfaces damaged by cavitation [3]. The method allows evaluating the pit characteristics, and mainly the volume damage rates. The paper describes the developed erosion model, the technique of cavitation damage measurement and presents some comparisons between experimental results and numerical damage predictions. The extent of cavitation erosion was correctly estimated in both hydrofoil geometries. The simulated qualitative influence of flow velocity, sigma value and gas content on cavitation damage agreed well with experimental observations.

Modeling aspects of human memory for scientific study.

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

Caudell, Thomas P.; Watson, Patrick; McDaniel, Mark A.

Working with leading experts in the field of cognitive neuroscience and computational intelligence, SNL has developed a computational architecture that represents neurocognitive mechanisms associated with how humans remember experiences in their past. The architecture represents how knowledge is organized and updated through information from individual experiences (episodes) via the cortical-hippocampal declarative memory system. We compared the simulated behavioral characteristics with those of humans measured under well established experimental standards, controlling for unmodeled aspects of human processing, such as perception. We used this knowledge to create robust simulations of & human memory behaviors that should help move the scientific community closermore » to understanding how humans remember information. These behaviors were experimentally validated against actual human subjects, which was published. An important outcome of the validation process will be the joining of specific experimental testing procedures from the field of neuroscience with computational representations from the field of cognitive modeling and simulation.« less

Analytical and experimental study of control effort associated with model reference adaptive control

NASA Technical Reports Server (NTRS)

Messer, R. S.; Haftka, R. T.; Cudney, H. H.

1992-01-01

Numerical simulation results presently obtained for the performance of model reference adaptive control (MRAC) are experimentally verified, with a view to accounting for differences between the plant and the reference model after the control function has been brought to bear. MRAC is both experimentally and analytically applied to a single-degree-of-freedom system, as well as analytically to a MIMO system having controlled differences between the reference model and the plant. The control effort is noted to be sensitive to differences between the plant and the reference model.

Simulation of Delamination Propagation in Composites Under High-Cycle Fatigue by Means of Cohesive-Zone Models

NASA Technical Reports Server (NTRS)

Turon, Albert; Costa, Josep; Camanho, Pedro P.; Davila, Carlos G.

2006-01-01

A damage model for the simulation of delamination propagation under high-cycle fatigue loading is proposed. The basis for the formulation is a cohesive law that links fracture and damage mechanics to establish the evolution of the damage variable in terms of the crack growth rate dA/dN. The damage state is obtained as a function of the loading conditions as well as the experimentally-determined coefficients of the Paris Law crack propagation rates for the material. It is shown that by using the constitutive fatigue damage model in a structural analysis, experimental results can be reproduced without the need of additional model-specific curve-fitting parameters.

Comparison of remotely sensed continental-shelf wave spectra with spectra computed by using a wave refraction computer model

NASA Technical Reports Server (NTRS)

Poole, L. R.

1976-01-01

An initial attempt was made to verify the Langley Research Center and Virginia Institute of Marine Science mid-Atlantic continental-shelf wave refraction model. The model was used to simulate refraction occurring during a continental-shelf remote sensing experiment conducted on August 17, 1973. Simulated wave spectra compared favorably, in a qualitative sense, with the experimental spectra. However, it was observed that most of the wave energy resided at frequencies higher than those for which refraction and shoaling effects were predicted, In addition, variations among the experimental spectra were so small that they were not considered statistically significant. In order to verify the refraction model, simulation must be performed in conjunction with a set of significantly varying spectra in which a considerable portion of the total energy resides at frequencies for which refraction and shoaling effects are likely.

Modeling the Hydration Layer around Proteins: Applications to Small- and Wide-Angle X-Ray Scattering

PubMed Central

Virtanen, Jouko Juhani; Makowski, Lee; Sosnick, Tobin R.; Freed, Karl F.

2011-01-01

Small-/wide-angle x-ray scattering (SWAXS) experiments can aid in determining the structures of proteins and protein complexes, but success requires accurate computational treatment of solvation. We compare two methods by which to calculate SWAXS patterns. The first approach uses all-atom explicit-solvent molecular dynamics (MD) simulations. The second, far less computationally expensive method involves prediction of the hydration density around a protein using our new HyPred solvation model, which is applied without the need for additional MD simulations. The SWAXS patterns obtained from the HyPred model compare well to both experimental data and the patterns predicted by the MD simulations. Both approaches exhibit advantages over existing methods for analyzing SWAXS data. The close correspondence between calculated and observed SWAXS patterns provides strong experimental support for the description of hydration implicit in the HyPred model. PMID:22004761

Optimization of a Nucleic Acids united-RESidue 2-Point model (NARES-2P) with a maximum-likelihood approach

NASA Astrophysics Data System (ADS)

He, Yi; Liwo, Adam; Scheraga, Harold A.

2015-12-01

Coarse-grained models are useful tools to investigate the structural and thermodynamic properties of biomolecules. They are obtained by merging several atoms into one interaction site. Such simplified models try to capture as much as possible information of the original biomolecular system in all-atom representation but the resulting parameters of these coarse-grained force fields still need further optimization. In this paper, a force field optimization method, which is based on maximum-likelihood fitting of the simulated to the experimental conformational ensembles and least-squares fitting of the simulated to the experimental heat-capacity curves, is applied to optimize the Nucleic Acid united-RESidue 2-point (NARES-2P) model for coarse-grained simulations of nucleic acids recently developed in our laboratory. The optimized NARES-2P force field reproduces the structural and thermodynamic data of small DNA molecules much better than the original force field.

BIOB: a mathematical model for the biodegradation of low solubility hydrocarbons.

PubMed

Geng, Xiaolong; Boufadel, Michel C; Personna, Yves R; Lee, Ken; Tsao, David; Demicco, Erik D

2014-06-15

Modeling oil biodegradation is an important step in predicting the long term fate of oil on beaches. Unfortunately, existing models do not account mechanistically for environmental factors, such as pore water nutrient concentration, affecting oil biodegradation, rather in an empirical way. We present herein a numerical model, BIOB, to simulate the biodegradation of insoluble attached hydrocarbon. The model was used to simulate an experimental oil spill on a sand beach. The biodegradation kinetic parameters were estimated by fitting the model to the experimental data of alkanes and aromatics. It was found that parameter values are comparable to their counterparts for the biodegradation of dissolved organic matter. The biodegradation of aromatics was highly affected by the decay of aromatic biomass, probably due to its low growth rate. Numerical simulations revealed that the biodegradation rate increases by 3-4 folds when the nutrient concentration is increased from 0.2 to 2.0 mg N/L. Published by Elsevier Ltd.

Wide-angle x-ray scattering and solid-state nuclear magnetic resonance data combined to test models for cellulose microfibrils in mung bean cell walls.

PubMed

Newman, Roger H; Hill, Stefan J; Harris, Philip J

2013-12-01

A synchrotron wide-angle x-ray scattering study of mung bean (Vigna radiata) primary cell walls was combined with published solid-state nuclear magnetic resonance data to test models for packing of (1→4)-β-glucan chains in cellulose microfibrils. Computer-simulated peak shapes, calculated for 36-chain microfibrils with perfect order or uncorrelated disorder, were sharper than those in the experimental diffractogram. Introducing correlated disorder into the models broaden the simulated peaks but only when the disorder was increased to unrealistic magnitudes. Computer-simulated diffractograms, calculated for 24- and 18-chain models, showed good fits to experimental data. Particularly good fits to both x-ray and nuclear magnetic resonance data were obtained for collections of 18-chain models with mixed cross-sectional shapes and occasional twinning. Synthesis of 18-chain microfibrils is consistent with a model for cellulose-synthesizing complexes in which three cellulose synthase polypeptides form a particle and six particles form a rosette.

Distribution of aerosolized particles in healthy and emphysematous rat lungs: comparison between experimental and numerical studies.

PubMed

Oakes, Jessica M; Marsden, Alison L; Grandmont, Céline; Darquenne, Chantal; Vignon-Clementel, Irene E

2015-04-13

In silico models of airflow and particle deposition in the lungs are increasingly used to determine the therapeutic or toxic effects of inhaled aerosols. While computational methods have advanced significantly, relatively few studies have directly compared model predictions to experimental data. Furthermore, few prior studies have examined the influence of emphysema on particle deposition. In this work we performed airflow and particle simulations to compare numerical predictions to data from our previous aerosol exposure experiments. Employing an image-based 3D rat airway geometry, we first compared steady flow simulations to coupled 3D-0D unsteady simulations in the healthy rat lung. Then, in 3D-0D simulations, the influence of emphysema was investigated by matching disease location to the experimental study. In both the healthy unsteady and steady simulations, good agreement was found between numerical predictions of aerosol delivery and experimental deposition data. However, deposition patterns in the 3D geometry differed between the unsteady and steady cases. On the contrary, satisfactory agreement was not found between the numerical predictions and experimental data for the emphysematous lungs. This indicates that the deposition rate downstream of the 3D geometry is likely proportional to airflow delivery in the healthy lungs, but not in the emphysematous lungs. Including small airway collapse, variations in downstream airway size and tissue properties, and tracking particles throughout expiration may result in a more favorable agreement in future studies. Copyright © 2015 Elsevier Ltd. All rights reserved.

Modelling and simulation of complex sociotechnical systems: envisioning and analysing work environments

PubMed Central

Hettinger, Lawrence J.; Kirlik, Alex; Goh, Yang Miang; Buckle, Peter

2015-01-01

Accurate comprehension and analysis of complex sociotechnical systems is a daunting task. Empirically examining, or simply envisioning the structure and behaviour of such systems challenges traditional analytic and experimental approaches as well as our everyday cognitive capabilities. Computer-based models and simulations afford potentially useful means of accomplishing sociotechnical system design and analysis objectives. From a design perspective, they can provide a basis for a common mental model among stakeholders, thereby facilitating accurate comprehension of factors impacting system performance and potential effects of system modifications. From a research perspective, models and simulations afford the means to study aspects of sociotechnical system design and operation, including the potential impact of modifications to structural and dynamic system properties, in ways not feasible with traditional experimental approaches. This paper describes issues involved in the design and use of such models and simulations and describes a proposed path forward to their development and implementation. Practitioner Summary: The size and complexity of real-world sociotechnical systems can present significant barriers to their design, comprehension and empirical analysis. This article describes the potential advantages of computer-based models and simulations for understanding factors that impact sociotechnical system design and operation, particularly with respect to process and occupational safety. PMID:25761227

Aneesur Rahman Prize Talk

NASA Astrophysics Data System (ADS)

Frenkel, Daan

2007-03-01

During the past decade there has been a unique synergy between theory, experiment and simulation in Soft Matter Physics. In colloid science, computer simulations that started out as studies of highly simplified model systems, have acquired direct experimental relevance because experimental realizations of these simple models can now be synthesized. Whilst many numerical predictions concerning the phase behavior of colloidal systems have been vindicated by experiments, the jury is still out on others. In my talk I will discuss some of the recent technical developments, new findings and open questions in computational soft-matter science.

Modeling laser-driven electron acceleration using WARP with Fourier decomposition

DOE PAGES

Lee, P.; Audet, T. L.; Lehe, R.; ...

2015-12-31

WARP is used with the recent implementation of the Fourier decomposition algorithm to model laser-driven electron acceleration in plasmas. Simulations were carried out to analyze the experimental results obtained on ionization-induced injection in a gas cell. The simulated results are in good agreement with the experimental ones, confirming the ability of the code to take into account the physics of electron injection and reduce calculation time. We present a detailed analysis of the laser propagation, the plasma wave generation and the electron beam dynamics.

Modeling laser-driven electron acceleration using WARP with Fourier decomposition

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

Lee, P.; Audet, T. L.; Lehe, R.

WARP is used with the recent implementation of the Fourier decomposition algorithm to model laser-driven electron acceleration in plasmas. Simulations were carried out to analyze the experimental results obtained on ionization-induced injection in a gas cell. The simulated results are in good agreement with the experimental ones, confirming the ability of the code to take into account the physics of electron injection and reduce calculation time. We present a detailed analysis of the laser propagation, the plasma wave generation and the electron beam dynamics.

Comparing selected morphological models of hydrated Nafion using large scale molecular dynamics simulations

NASA Astrophysics Data System (ADS)

Knox, Craig K.

Experimental elucidation of the nanoscale structure of hydrated Nafion, the most popular polymer electrolyte or proton exchange membrane (PEM) to date, and its influence on macroscopic proton conductance is particularly challenging. While it is generally agreed that hydrated Nafion is organized into distinct hydrophilic domains or clusters within a hydrophobic matrix, the geometry and length scale of these domains continues to be debated. For example, at least half a dozen different domain shapes, ranging from spheres to cylinders, have been proposed based on experimental SAXS and SANS studies. Since the characteristic length scale of these domains is believed to be ˜2 to 5 nm, very large molecular dynamics (MD) simulations are needed to accurately probe the structure and morphology of these domains, especially their connectivity and percolation phenomena at varying water content. Using classical, all-atom MD with explicit hydronium ions, simulations have been performed to study the first-ever hydrated Nafion systems that are large enough (~2 million atoms in a ˜30 nm cell) to directly observe several hydrophilic domains at the molecular level. These systems consisted of six of the most significant and relevant morphological models of Nafion to-date: (1) the cluster-channel model of Gierke, (2) the parallel cylinder model of Schmidt-Rohr, (3) the local-order model of Dreyfus, (4) the lamellar model of Litt, (5) the rod network model of Kreuer, and (6) a 'random' model, commonly used in previous simulations, that does not directly assume any particular geometry, distribution, or morphology. These simulations revealed fast intercluster bridge formation and network percolation in all of the models. Sulfonates were found inside these bridges and played a significant role in percolation. Sulfonates also strongly aggregated around and inside clusters. Cluster surfaces were analyzed to study the hydrophilic-hydrophobic interface. Interfacial area and cluster volume significantly increased during the simulations, suggesting the need for morphological model refinement and improvement. Radial distribution functions and structure factors were calculated. All nonrandom models exhibited the characteristic experimental scattering peak, underscoring the insensitivity of this measurement to hydrophilic domain structure and highlighting the need for future work to clearly distinguish morphological models of Nafion.

Spin glass model for cell reprogramming

NASA Astrophysics Data System (ADS)

Pusuluri, Sai Teja; Castillo, Horacio E.

2014-03-01

Recent experiments show that differentiated cells can be reprogrammed to become pluripotent stem cells. The possible cell fates can be modeled as attractors in a dynamical system, the ``epigenetic landscape.'' Both cellular differentiation and reprogramming can be described in the landscape picture as motion from one attractor state to another attractor state. We use a simple model based on spin glass theory that can construct a simulated epigenetic landscape starting from the experimental genomic data. We modify the model to incorporate experimental reprogramming protocols. Our simulations successfully reproduce several reprogramming experiments. We probe the robustness of the results against random changes in the model, explore the importance of asymmetric interactions between transcription factors and study the importance of histone modification errors in reprogramming.

In situ measurement and simulation of nano-magnetite mobility in porous media subject to transient salinity

NASA Astrophysics Data System (ADS)

Becker, Matthew D.; Wang, Yonggang; L. Paulsen, Jeffrey; Song, Yi-Qiao; Abriola, Linda M.; Pennell, Kurt D.

2014-12-01

Nanotechnologies have been proposed for a variety of environmental applications, including subsurface characterization, enhanced oil recovery, and in situ contaminant remediation. For such applications, quantitative predictive models will be of great utility for system design and implementation. Electrolyte chemistry, which can vary substantially within subsurface pore waters, has been shown to strongly influence nanoparticle aggregation and deposition in porous media. Thus, it is essential that mathematical models be capable of tracking changes in electrolyte chemistry and predicting its influence on nanoparticle mobility. In this work, a modified version of a multi-dimensional multispecies transport simulator (SEAWAT) was employed to model nanoparticle transport under transient electrolyte conditions. The modeling effort was supported by experimental measurements of paramagnetic magnetite (Fe3O4) nanoparticle, coated with polyacrylamide-methylpropane sulfonic acid - lauryl acrylate (nMag-PAMPS), mobility in columns packed with 40-50 mesh Ottawa sand. Column effluent analyses and magnetic resonance imaging (MRI) were used to quantify nanoparticle breakthrough and in situ aqueous phase concentrations, respectively. Experimental observations revealed that introduction of de-ionized water into the brine saturated column (80 g L-1 NaCl + 20 g L-1 CaCl2) promoted release and remobilization of deposited nanoparticles along a diagonal front, coincident with the variable density flow field. This behavior was accurately captured by the simulation results, which indicated that a two-site deposition-release model provided the best fit to experimental observations, suggesting that heterogeneous nanoparticle-surface interactions governed nanoparticle attachment. These findings illustrate the importance of accounting for both physical and chemical processes associated with changes in electrolyte chemistry when predicting nanoparticle transport behavior in subsurface formations.Nanotechnologies have been proposed for a variety of environmental applications, including subsurface characterization, enhanced oil recovery, and in situ contaminant remediation. For such applications, quantitative predictive models will be of great utility for system design and implementation. Electrolyte chemistry, which can vary substantially within subsurface pore waters, has been shown to strongly influence nanoparticle aggregation and deposition in porous media. Thus, it is essential that mathematical models be capable of tracking changes in electrolyte chemistry and predicting its influence on nanoparticle mobility. In this work, a modified version of a multi-dimensional multispecies transport simulator (SEAWAT) was employed to model nanoparticle transport under transient electrolyte conditions. The modeling effort was supported by experimental measurements of paramagnetic magnetite (Fe3O4) nanoparticle, coated with polyacrylamide-methylpropane sulfonic acid - lauryl acrylate (nMag-PAMPS), mobility in columns packed with 40-50 mesh Ottawa sand. Column effluent analyses and magnetic resonance imaging (MRI) were used to quantify nanoparticle breakthrough and in situ aqueous phase concentrations, respectively. Experimental observations revealed that introduction of de-ionized water into the brine saturated column (80 g L-1 NaCl + 20 g L-1 CaCl2) promoted release and remobilization of deposited nanoparticles along a diagonal front, coincident with the variable density flow field. This behavior was accurately captured by the simulation results, which indicated that a two-site deposition-release model provided the best fit to experimental observations, suggesting that heterogeneous nanoparticle-surface interactions governed nanoparticle attachment. These findings illustrate the importance of accounting for both physical and chemical processes associated with changes in electrolyte chemistry when predicting nanoparticle transport behavior in subsurface formations. Electronic supplementary information (ESI) available: A schematic diagram of the nMag-MRI experimental systems, description of the mathematical modeling domain, further information regarding calibration of R2 to nMag concentration in sand, comparison of one- and two-site simulations of phases 1 and 2, DLVO interaction energy profiles for the system, and a time lapse movie of the best fit two-site model simulation of the nMag experimental data. See DOI: 10.1039/c4nr05088f

Experimental validation of ultrasonic guided modes in electrical cables by optical interferometry.

PubMed

Mateo, Carlos; de Espinosa, Francisco Montero; Gómez-Ullate, Yago; Talavera, Juan A

2008-03-01

In this work, the dispersion curves of elastic waves propagating in electrical cables and in bare copper wires are obtained theoretically and validated experimentally. The theoretical model, based on Gazis equations formulated according to the global matrix methodology, is resolved numerically. Viscoelasticity and attenuation are modeled theoretically using the Kelvin-Voigt model. Experimental tests are carried out using interferometry. There is good agreement between the simulations and the experiments despite the peculiarities of electrical cables.

Modeling of ultrasonic wave propagation in composite laminates with realistic discontinuity representation.

PubMed

Zelenyak, Andreea-Manuela; Schorer, Nora; Sause, Markus G R

2018-02-01

This paper presents a method for embedding realistic defect geometries of a fiber reinforced material in a finite element modeling environment in order to simulate active ultrasonic inspection. When ultrasonic inspection is used experimentally to investigate the presence of defects in composite materials, the microscopic defect geometry may cause signal characteristics that are difficult to interpret. Hence, modeling of this interaction is key to improve our understanding and way of interpreting the acquired ultrasonic signals. To model the true interaction of the ultrasonic wave field with such defect structures as pores, cracks or delamination, a realistic three dimensional geometry reconstruction is required. We present a 3D-image based reconstruction process which converts computed tomography data in adequate surface representations ready to be embedded for processing with finite element methods. Subsequent modeling using these geometries uses a multi-scale and multi-physics simulation approach which results in quantitative A-Scan ultrasonic signals which can be directly compared with experimental signals. Therefore, besides the properties of the composite material, a full transducer implementation, piezoelectric conversion and simultaneous modeling of the attached circuit is applied. Comparison between simulated and experimental signals provides very good agreement in electrical voltage amplitude and the signal arrival time and thus validates the proposed modeling approach. Simulating ultrasound wave propagation in a medium with a realistic shape of the geometry clearly shows a difference in how the disturbance of the waves takes place and finally allows more realistic modeling of A-scans. Copyright © 2017 Elsevier B.V. All rights reserved.

Genome Scale Modeling in Systems Biology: Algorithms and Resources

PubMed Central

Najafi, Ali; Bidkhori, Gholamreza; Bozorgmehr, Joseph H.; Koch, Ina; Masoudi-Nejad, Ali

2014-01-01

In recent years, in silico studies and trial simulations have complemented experimental procedures. A model is a description of a system, and a system is any collection of interrelated objects; an object, moreover, is some elemental unit upon which observations can be made but whose internal structure either does not exist or is ignored. Therefore, any network analysis approach is critical for successful quantitative modeling of biological systems. This review highlights some of most popular and important modeling algorithms, tools, and emerging standards for representing, simulating and analyzing cellular networks in five sections. Also, we try to show these concepts by means of simple example and proper images and graphs. Overall, systems biology aims for a holistic description and understanding of biological processes by an integration of analytical experimental approaches along with synthetic computational models. In fact, biological networks have been developed as a platform for integrating information from high to low-throughput experiments for the analysis of biological systems. We provide an overview of all processes used in modeling and simulating biological networks in such a way that they can become easily understandable for researchers with both biological and mathematical backgrounds. Consequently, given the complexity of generated experimental data and cellular networks, it is no surprise that researchers have turned to computer simulation and the development of more theory-based approaches to augment and assist in the development of a fully quantitative understanding of cellular dynamics. PMID:24822031

DSMC Simulation and Experimental Validation of Shock Interaction in Hypersonic Low Density Flow

PubMed Central

2014-01-01

Direct simulation Monte Carlo (DSMC) of shock interaction in hypersonic low density flow is developed. Three collision molecular models, including hard sphere (HS), variable hard sphere (VHS), and variable soft sphere (VSS), are employed in the DSMC study. The simulations of double-cone and Edney's type IV hypersonic shock interactions in low density flow are performed. Comparisons between DSMC and experimental data are conducted. Investigation of the double-cone hypersonic flow shows that three collision molecular models can predict the trend of pressure coefficient and the Stanton number. HS model shows the best agreement between DSMC simulation and experiment among three collision molecular models. Also, it shows that the agreement between DSMC and experiment is generally good for HS and VHS models in Edney's type IV shock interaction. However, it fails in the VSS model. Both double-cone and Edney's type IV shock interaction simulations show that the DSMC errors depend on the Knudsen number and the models employed for intermolecular interaction. With the increase in the Knudsen number, the DSMC error is decreased. The error is the smallest in HS compared with those in the VHS and VSS models. When the Knudsen number is in the level of 10−4, the DSMC errors, for pressure coefficient, the Stanton number, and the scale of interaction region, are controlled within 10%. PMID:24672360

Hydraulics calculation in drilling simulator

NASA Astrophysics Data System (ADS)

Malyugin, Aleksey A.; Kazunin, Dmitry V.

2018-05-01

The modeling of drilling hydraulics in the simulator system is discussed. This model is based on the previously developed quasi-steady model of an incompressible fluid flow. The model simulates the operation of all parts of the hydraulic drilling system. Based on the principles of creating a common hydraulic model, a set of new elements for well hydraulics was developed. It includes elements that correspond to the in-drillstring and annular space. There are elements controlling the inflow from the reservoir into the well and simulating the lift of gas along the annulus. New elements of the hydrosystem take into account the changing geometry of the well, loss in the bit, characteristics of the fluids including viscoplasticity. There is an opportunity specify the complications, the main one of which is gas, oil and water inflow. Correct work of models in cases of complications makes it possible to work out various methods for their elimination. The coefficients of the model are adjusted on the basis of incomplete experimental data provided by operators of drilling platforms. At the end of the article the results of modeling the elimination of gas inflow by a continuous method are presented. The values displayed in the simulator (drill pipe pressure, annulus pressure, input and output flow rates) are in good agreement with the experimental data. This exercise took one hour, which is less than the time on a real rig with the same configuration of equipment and well.

Computational Biochemistry-Enzyme Mechanisms Explored.

PubMed

Culka, Martin; Gisdon, Florian J; Ullmann, G Matthias

2017-01-01

Understanding enzyme mechanisms is a major task to achieve in order to comprehend how living cells work. Recent advances in biomolecular research provide huge amount of data on enzyme kinetics and structure. The analysis of diverse experimental results and their combination into an overall picture is, however, often challenging. Microscopic details of the enzymatic processes are often anticipated based on several hints from macroscopic experimental data. Computational biochemistry aims at creation of a computational model of an enzyme in order to explain microscopic details of the catalytic process and reproduce or predict macroscopic experimental findings. Results of such computations are in part complementary to experimental data and provide an explanation of a biochemical process at the microscopic level. In order to evaluate the mechanism of an enzyme, a structural model is constructed which can be analyzed by several theoretical approaches. Several simulation methods can and should be combined to get a reliable picture of the process of interest. Furthermore, abstract models of biological systems can be constructed combining computational and experimental data. In this review, we discuss structural computational models of enzymatic systems. We first discuss various models to simulate enzyme catalysis. Furthermore, we review various approaches how to characterize the enzyme mechanism both qualitatively and quantitatively using different modeling approaches. © 2017 Elsevier Inc. All rights reserved.

Model Checking Satellite Operational Procedures

NASA Astrophysics Data System (ADS)

Cavaliere, Federico; Mari, Federico; Melatti, Igor; Minei, Giovanni; Salvo, Ivano; Tronci, Enrico; Verzino, Giovanni; Yushtein, Yuri

2011-08-01

We present a model checking approach for the automatic verification of satellite operational procedures (OPs). Building a model for a complex system as a satellite is a hard task. We overcome this obstruction by using a suitable simulator (SIMSAT) for the satellite. Our approach aims at improving OP quality assurance by automatic exhaustive exploration of all possible simulation scenarios. Moreover, our solution decreases OP verification costs by using a model checker (CMurphi) to automatically drive the simulator. We model OPs as user-executed programs observing the simulator telemetries and sending telecommands to the simulator. In order to assess feasibility of our approach we present experimental results on a simple meaningful scenario. Our results show that we can save up to 90% of verification time.

A comprehensive cold gas performance study of the Pocket Rocket radiofrequency electrothermal microthruster

NASA Astrophysics Data System (ADS)

Ho, Teck Seng; Charles, Christine; Boswell, Roderick W.

2016-12-01

This paper presents computational fluid dynamics simulations of the cold gas operation of Pocket Rocket and Mini Pocket Rocket radiofrequency electrothermal microthrusters, replicating experiments performed in both sub-Torr and vacuum environments. This work takes advantage of flow velocity choking to circumvent the invalidity of modelling vacuum regions within a CFD simulation, while still preserving the accuracy of the desired results in the internal regions of the microthrusters. Simulated results of the plenum stagnation pressure is in precise agreement with experimental measurements when slip boundary conditions with the correct tangential momentum accommodation coefficients for each gas are used. Thrust and specific impulse is calculated by integrating the flow profiles at the exit of the microthrusters, and are in good agreement with experimental pendulum thrust balance measurements and theoretical expectations. For low thrust conditions where experimental instruments are not sufficiently sensitive, these cold gas simulations provide additional data points against which experimental results can be verified and extrapolated. The cold gas simulations presented in this paper will be used as a benchmark to compare with future plasma simulations of the Pocket Rocket microthruster.

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.

Advanced Reactors-Intermediate Heat Exchanger (IHX) Coupling: Theoretical Modeling and Experimental Validation

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

Utgikar, Vivek; Sun, Xiaodong; Christensen, Richard

2016-12-29

The overall goal of the research project was to model the behavior of the advanced reactorintermediate heat exchange system and to develop advanced control techniques for off-normal conditions. The specific objectives defined for the project were: 1. To develop the steady-state thermal hydraulic design of the intermediate heat exchanger (IHX); 2. To develop mathematical models to describe the advanced nuclear reactor-IHX-chemical process/power generation coupling during normal and off-normal operations, and to simulate models using multiphysics software; 3. To develop control strategies using genetic algorithm or neural network techniques and couple these techniques with the multiphysics software; 4. To validate themore » models experimentally The project objectives were accomplished by defining and executing four different tasks corresponding to these specific objectives. The first task involved selection of IHX candidates and developing steady state designs for those. The second task involved modeling of the transient and offnormal operation of the reactor-IHX system. The subsequent task dealt with the development of control strategies and involved algorithm development and simulation. The last task involved experimental validation of the thermal hydraulic performances of the two prototype heat exchangers designed and fabricated for the project at steady state and transient conditions to simulate the coupling of the reactor- IHX-process plant system. The experimental work utilized the two test facilities at The Ohio State University (OSU) including one existing High-Temperature Helium Test Facility (HTHF) and the newly developed high-temperature molten salt facility.« less

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

Wave optics simulation of atmospheric turbulence and reflective speckle effects in carbon dioxide lidar

NASA Astrophysics Data System (ADS)

Nelson, Douglas Harold

Laser speckle can influence lidar measurements from a diffuse hard target. Atmospheric optical turbulence will also affect the lidar return signal. This investigation develops a numerical simulation that models the propagation of a lidar beam and accounts for both reflective speckle and atmospheric turbulence effects. The simulation, previously utilized to simulate the effects of atmospheric optical turbulence alone, is based on implementing a Huygens-Fresnel approximation to laser propagation. A series of phase screens, with the appropriate atmospheric statistical characteristics, is used to simulate the effect of atmospheric optical turbulence. A single random phase screen is used to simulate scattering of the entire beam from a rough surface. These investigations compare the output of the numerical model with separate CO2 lidar measurements of atmospheric turbulence and reflective speckle. This work also compares the output of the model with separate analytical predictions for atmospheric turbulence and reflective speckle. Good agreement is found between the model and the experimental data. Good agreement is also found with analytical predictions. Additionally, results of simulation of the combined effects on a finite aperture lidar system show agreement with experimental observations of increasing RMS noise with increasing turbulence level and the behavior of the experimental integrated intensity probability distribution. Simulation studies are included that demonstrate the usefulness of the model, examine its limitations and provide greater insight into the process of combined atmospheric optical turbulence and reflective speckle. One highlight of these studies is examination of the limitations of the simulation that shows, in general, precision increases with increasing grid size. The study of the backscatter intensity enhancement predicted by analytical theory show it to behave as a multi-path effect, like scintillation, with the highest contributions from atmospheric optical turbulence weighted at the middle of the propagation path. Aperture geometry also affects the signal-to-noise ratio with thin annular apertures exhibiting lower RMS noise than circular apertures of the same active area. The simulation is capable of studying a variety of lidar schemes including varying atmospheric optical turbulence along the propagation path as well as diverse transmitter and receiver geometries.

Modeling cell adhesion and proliferation: a cellular-automata based approach.

PubMed

Vivas, J; Garzón-Alvarado, D; Cerrolaza, M

Cell adhesion is a process that involves the interaction between the cell membrane and another surface, either a cell or a substrate. Unlike experimental tests, computer models can simulate processes and study the result of experiments in a shorter time and lower costs. One of the tools used to simulate biological processes is the cellular automata, which is a dynamic system that is discrete both in space and time. This work describes a computer model based on cellular automata for the adhesion process and cell proliferation to predict the behavior of a cell population in suspension and adhered to a substrate. The values of the simulated system were obtained through experimental tests on fibroblast monolayer cultures. The results allow us to estimate the cells settling time in culture as well as the adhesion and proliferation time. The change in the cells morphology as the adhesion over the contact surface progress was also observed. The formation of the initial link between cell and the substrate of the adhesion was observed after 100 min where the cell on the substrate retains its spherical morphology during the simulation. The cellular automata model developed is, however, a simplified representation of the steps in the adhesion process and the subsequent proliferation. A combined framework of experimental and computational simulation based on cellular automata was proposed to represent the fibroblast adhesion on substrates and changes in a macro-scale observed in the cell during the adhesion process. The approach showed to be simple and efficient.

Experimental identification of a comb-shaped chaotic region in multiple parameter spaces simulated by the Hindmarsh—Rose neuron model

NASA Astrophysics Data System (ADS)

Jia, Bing

2014-03-01

A comb-shaped chaotic region has been simulated in multiple two-dimensional parameter spaces using the Hindmarsh—Rose (HR) neuron model in many recent studies, which can interpret almost all of the previously simulated bifurcation processes with chaos in neural firing patterns. In the present paper, a comb-shaped chaotic region in a two-dimensional parameter space was reproduced, which presented different processes of period-adding bifurcations with chaos with changing one parameter and fixed the other parameter at different levels. In the biological experiments, different period-adding bifurcation scenarios with chaos by decreasing the extra-cellular calcium concentration were observed from some neural pacemakers at different levels of extra-cellular 4-aminopyridine concentration and from other pacemakers at different levels of extra-cellular caesium concentration. By using the nonlinear time series analysis method, the deterministic dynamics of the experimental chaotic firings were investigated. The period-adding bifurcations with chaos observed in the experiments resembled those simulated in the comb-shaped chaotic region using the HR model. The experimental results show that period-adding bifurcations with chaos are preserved in different two-dimensional parameter spaces, which provides evidence of the existence of the comb-shaped chaotic region and a demonstration of the simulation results in different two-dimensional parameter spaces in the HR neuron model. The results also present relationships between different firing patterns in two-dimensional parameter spaces.

Modeling the effect of lithium-induced pedestal profiles on scrape-off-layer turbulence and the heat flux width

DOE PAGES

Russell, David A.; D'Ippolito, Daniel A.; Myra, James R.; ...

2015-09-01

The effect of lithium (Li) wall coatings on scrape-off-layer (SOL) turbulence in the National Spherical Torus Experiment (NSTX) is modeled with the Lodestar SOLT (“SOL Turbulence”) code. Specifically, the implications for the SOL heat flux width of experimentally observed, Li-induced changes in the pedestal profiles are considered. The SOLT code used in the modeling has been expanded recently to include ion temperature evolution and ion diamagnetic drift effects. This work focuses on two NSTX discharges occurring pre- and with-Li deposition. The simulation density and temperature profiles are constrained, inside the last closed flux surface only, to match those measured inmore » the two experiments, and the resulting drift-interchange-driven turbulence is explored. The effect of Li enters the simulation only through the pedestal profile constraint: Li modifies the experimental density and temperature profiles in the pedestal, and these profiles affect the simulated SOL turbulence. The power entering the SOL measured in the experiments is matched in the simulations by adjusting “free” dissipation parameters (e.g., diffusion coefficients) that are not measured directly in the experiments. With power-matching, (a) the heat flux SOL width is smaller, as observed experimentally by infra-red thermography, and (b) the simulated density fluctuation amplitudes are reduced with Li, as inferred for the experiments as well from reflectometry analysis. The instabilities and saturation mechanisms that underlie the SOLT model equilibria are also discussed.« less

Quantitative comparisons between experimentally measured 2D carbon radiation and Monte Carlo impurity (MCI) code simulations

NASA Astrophysics Data System (ADS)

Evans, T. E.; Finkenthal, D. F.; Fenstermacher, M. E.; Leonard, A. W.; Porter, G. D.; West, W. P.

Experimentally measured carbon line emissions and total radiated power distributions from the DIII-D divertor and scrape-off layer (SOL) are compared to those calculated with the Monte Carlo impurity (MCI) model. A UEDGE [T.D. Rognlien et al., J. Nucl. Mater. 196-198 (1992) 347] background plasma is used in MCI with the Roth and Garcia-Rosales (RG-R) chemical sputtering model [J. Roth, C. García-Rosales, Nucl. Fusion 36 (1992) 196] and/or one of six physical sputtering models. While results from these simulations do not reproduce all of the features seen in the experimentally measured radiation patterns, the total radiated power calculated in MCI is in relatively good agreement with that measured by the DIII-D bolometric system when the Smith78 [D.L. Smith, J. Nucl. Mater. 75 (1978) 20] physical sputtering model is coupled to RG-R chemical sputtering in an unaltered UEDGE plasma. Alternatively, MCI simulations done with UEDGE background ion temperatures along the divertor target plates adjusted to better match those measured in the experiment resulted in three physical sputtering models which when coupled to the RG-R model gave a total radiated power that was within 10% of measured value.

Modeling and experimental characterization of electromigration in interconnect trees

NASA Astrophysics Data System (ADS)

Thompson, C. V.; Hau-Riege, S. P.; Andleigh, V. K.

1999-11-01

Most modeling and experimental characterization of interconnect reliability is focussed on simple straight lines terminating at pads or vias. However, laid-out integrated circuits often have interconnects with junctions and wide-to-narrow transitions. In carrying out circuit-level reliability assessments it is important to be able to assess the reliability of these more complex shapes, generally referred to as `trees.' An interconnect tree consists of continuously connected high-conductivity metal within one layer of metallization. Trees terminate at diffusion barriers at vias and contacts, and, in the general case, can have more than one terminating branch when they include junctions. We have extended the understanding of `immortality' demonstrated and analyzed for straight stud-to-stud lines, to trees of arbitrary complexity. This leads to a hierarchical approach for identifying immortal trees for specific circuit layouts and models for operation. To complete a circuit-level-reliability analysis, it is also necessary to estimate the lifetimes of the mortal trees. We have developed simulation tools that allow modeling of stress evolution and failure in arbitrarily complex trees. We are testing our models and simulations through comparisons with experiments on simple trees, such as lines broken into two segments with different currents in each segment. Models, simulations and early experimental results on the reliability of interconnect trees are shown to be consistent.

The Distribution of Chromosomal Aberrations in Human Cells Predicted by a Generalized Time-Dependent Model of Radiation-Induced Formation of Aberrations

NASA Technical Reports Server (NTRS)

Ponomarev, Artem L.; George, K.; Cucinotta, F. A.

2011-01-01

New experimental data show how chromosomal aberrations for low- and high-LET radiation are dependent on DSB repair deficiencies in wild-type, AT and NBS cells. We simulated the development of chromosomal aberrations in these cells lines in a stochastic track-structure-dependent model, in which different cells have different kinetics of DSB repair. We updated a previously formulated model of chromosomal aberrations, which was based on a stochastic Monte Carlo approach, to consider the time-dependence of DSB rejoining. The previous version of the model had an assumption that all DSBs would rejoin, and therefore we called it a time-independent model. The chromosomal-aberrations model takes into account the DNA and track structure for low- and high-LET radiations, and provides an explanation and prediction of the statistics of rare and more complex aberrations. We compared the program-simulated kinetics of DSB rejoining to the experimentally-derived bimodal exponential curves of the DSB kinetics. We scored the formation of translocations, dicentrics, acentric and centric rings, deletions, and inversions. The fraction of DSBs participating in aberrations was studied in relation to the rejoining time. Comparisons of simulated dose dependence for simple aberrations to the experimental dose-dependence for HF19, AT and NBS cells will be made.

Modeling Heat Loss through Piston and Effects of Thermal Boundary Coatings in Diesel Engine Simulations using Conjugate Heat Transfer models

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

Kundu, Prithwish; Scarcelli, Riccardo; Som, Sibendu

Heat loss through wall boundaries play a dominant role in the overall performance and efficiency of internal combustion engines. Typical engine simulations use constant temperature wall boundary conditions. These boundary conditions cannot be estimated accurately from experiments due to the complexities involved with engine combustion. As a result they introduce a large uncertainty in engine simulations and serve as a tuning parameter. Modeling the process of heat transfer through the solid walls in an unsteady engine computational fluid dynamics (CFD) simulation can lead to the development of higher fidelity engine calculations. These models can be used to study the impactmore » of heat loss on engine efficiency and explore new design methodologies that can reduce heat losses. In this work, a single cylinder diesel engine is modeled along with the solid piston coupled to the fluid domain. Conjugate heat transfer (CHT) modeling techniques were implemented to model heat losses for a full cycle of a Navistar diesel engine. This CFD model is then validated against experimental data available from thermocouples embedded inside the piston surface. The overall predictions from the model match closely with the experimental observations. The validated model is further used to explore the benefits of thermal barrier coatings (TBC) on piston bowls. The effect of TBC coatings were modeled as a thermal resistance in the heat transfer models. Full cycle 3D engine simulations provide quantitative insights into heat loss and thus calculate the efficiency gain by the use of TBC coatings. The work establishes a validated modeling framework for CHT modeling in reciprocating engine simulations.« less

Toward Theory Building in the Field of Instructional Games and Simulations

ERIC Educational Resources Information Center

Cruickshank, Donald R.; Mager, Gerald M.

1976-01-01

Three suggestions are made for improving on the present uncoordinated state of games and simulations: establish precise vocabulary, understand the relationships between simulation/gaming and other instructional alternatives, and instigate systematic research based on the descriptive--correlational--experimental loop model. (Author/LS)

Radiation induced dissolution of UO 2 based nuclear fuel - A critical review of predictive modelling approaches

NASA Astrophysics Data System (ADS)

Eriksen, Trygve E.; Shoesmith, David W.; Jonsson, Mats

2012-01-01

Radiation induced dissolution of uranium dioxide (UO 2) nuclear fuel and the consequent release of radionuclides to intruding groundwater are key-processes in the safety analysis of future deep geological repositories for spent nuclear fuel. For several decades, these processes have been studied experimentally using both spent fuel and various types of simulated spent fuels. The latter have been employed since it is difficult to draw mechanistic conclusions from real spent nuclear fuel experiments. Several predictive modelling approaches have been developed over the last two decades. These models are largely based on experimental observations. In this work we have performed a critical review of the modelling approaches developed based on the large body of chemical and electrochemical experimental data. The main conclusions are: (1) the use of measured interfacial rate constants give results in generally good agreement with experimental results compared to simulations where homogeneous rate constants are used; (2) the use of spatial dose rate distributions is particularly important when simulating the behaviour over short time periods; and (3) the steady-state approach (the rate of oxidant consumption is equal to the rate of oxidant production) provides a simple but fairly accurate alternative, but errors in the reaction mechanism and in the kinetic parameters used may not be revealed by simple benchmarking. It is essential to use experimentally determined rate constants and verified reaction mechanisms, irrespective of whether the approach is chemical or electrochemical.

Evaluation of a micro-scale wind model's performance over realistic building clusters using wind tunnel experiments

NASA Astrophysics Data System (ADS)

Zhang, Ning; Du, Yunsong; Miao, Shiguang; Fang, Xiaoyi

2016-08-01

The simulation performance over complex building clusters of a wind simulation model (Wind Information Field Fast Analysis model, WIFFA) in a micro-scale air pollutant dispersion model system (Urban Microscale Air Pollution dispersion Simulation model, UMAPS) is evaluated using various wind tunnel experimental data including the CEDVAL (Compilation of Experimental Data for Validation of Micro-Scale Dispersion Models) wind tunnel experiment data and the NJU-FZ experiment data (Nanjing University-Fang Zhuang neighborhood wind tunnel experiment data). The results show that the wind model can reproduce the vortexes triggered by urban buildings well, and the flow patterns in urban street canyons and building clusters can also be represented. Due to the complex shapes of buildings and their distributions, the simulation deviations/discrepancies from the measurements are usually caused by the simplification of the building shapes and the determination of the key zone sizes. The computational efficiencies of different cases are also discussed in this paper. The model has a high computational efficiency compared to traditional numerical models that solve the Navier-Stokes equations, and can produce very high-resolution (1-5 m) wind fields of a complex neighborhood scale urban building canopy (~ 1 km ×1 km) in less than 3 min when run on a personal computer.

Comparison of simulations to experiment for a detailed analysis of space-charge-limited transient current measurements in organic semiconductors

NASA Astrophysics Data System (ADS)

Szymanski, Marek Z.; Kulszewicz-Bajer, Irena; Faure-Vincent, Jérôme; Djurado, David

2012-05-01

Space-charge-limited current transients (also referred as time resolved dark injection) is an attractive technique for mobility measurements in low mobility materials, particularly the organic semiconductors. Transients are generally analyzed in terms of the Many-Rakavy theory, which is an approximate analytical solution of the time-dependent drift-diffusion problem after application of a voltage step. In this contribution, we perform full time-dependent drift-diffusion simulation and compare simulated and experimental transients measured on a sample of triaryl-amine based electroactive dendrimer (experimental conditions: μ≈10-5 cm2/(Vs), L=300 nm, E<105 V/cm). We have found that the Many-Rakavy theory is indeed valid for estimating the mobility value, but it fails to predict quantitatively the time-dependent current response. In order to obtain a good agreement in between simulation and experiment, trapping and quasi-ohmic contact models were needed to be taken into account. In the case of the studied electroactive dendrimer, the experimental results were apparently consistent with the constant mobility Many-Rakavy theory, but with this model, a large uncertainty of 20% was found for the mobility value. We show that this uncertainty can be significantly reduced to 10% if a field-dependent mobility is taken into account in the framework of the extended Gaussian disorder model. Finally, we demonstrate that this fitting procedure between simulated and experimental transient responses also permits to unambiguously provide the values of the contact barrier, the trap concentration, the trap depth in addition to that of the mobility of carriers.

A method for experimental modal separation

NASA Technical Reports Server (NTRS)

Hallauer, W. L., Jr.

1977-01-01

A method is described for the numerical simulation of multiple-shaker modal survey testing using simulated experimental data to optimize the shaker force-amplitude distribution for the purpose of isolating individual modes of vibration. Inertia, damping, stiffness, and model data are stored on magnetic disks, available by direct access to the interactive FORTRAN programs which perform all computations required by this relative force amplitude distribution method.

Assessment of the neutron dose field around a biomedical cyclotron: FLUKA simulation and experimental measurements.

PubMed

Infantino, Angelo; Cicoria, Gianfranco; Lucconi, Giulia; Pancaldi, Davide; Vichi, Sara; Zagni, Federico; Mostacci, Domiziano; Marengo, Mario

2016-12-01

In the planning of a new cyclotron facility, an accurate knowledge of the radiation field around the accelerator is fundamental for the design of shielding, the protection of workers, the general public and the environment. Monte Carlo simulations can be very useful in this process, and their use is constantly increasing. However, few data have been published so far as regards the proper validation of Monte Carlo simulation against experimental measurements, particularly in the energy range of biomedical cyclotrons. In this work a detailed model of an existing installation of a GE PETtrace 16.5MeV cyclotron was developed using FLUKA. An extensive measurement campaign of the neutron ambient dose equivalent H ∗ (10) in marked positions around the cyclotron was conducted using a neutron rem-counter probe and CR39 neutron detectors. Data from a previous measurement campaign performed by our group using TLDs were also re-evaluated. The FLUKA model was then validated by comparing the results of high-statistics simulations with experimental data. In 10 out of 12 measurement locations, FLUKA simulations were in agreement within uncertainties with all the three different sets of experimental data; in the remaining 2 positions, the agreement was with 2/3 of the measurements. Our work allows to quantitatively validate our FLUKA simulation setup and confirms that Monte Carlo technique can produce accurate results in the energy range of biomedical cyclotrons. Copyright © 2016 Associazione Italiana di Fisica Medica. Published by Elsevier Ltd. All rights reserved.

Phototactic orientation mechanism in the ciliate Fabrea salina, as inferred from numerical simulations.

PubMed

Marangoni, R; Preosti, G; Colombetti, G

2000-02-01

The marine ciliate Fabrea salina shows a clear positive phototaxis, but the mechanism by which a single cell is able to detect the direction of light and orient its swimming accordingly is still unknown. A simple model of phototaxis is that of a biased random walk, where the bias due to light can affect one or more of the parameters that characterize a random walk, i.e., the mean speed, the frequency distribution of the angles of directional changes and the frequency of directional changes. Since experimental evidence has shown no effect of light on the mean speed of Fabrea salina, we have excluded models depending on this parameter. We have, therefore, investigated the phototactic orientation of Fabrea salina by computer simulation of two simple models, the first where light affects the frequency distribution of the angles of directional changes (model M1) and the second where the light bias modifies the frequency of directional changes (model M2). Simulated M1 cells directly orient their swimming towards the direction of light, regardless of their current swimming orientation; simulated M2 cells, on the contrary, are unable to actively orient their motion, but remain locked along the light direction once they find it by chance. The simulations show that these two orientation models lead to different macroscopic behaviours of the simulated cell populations. By comparing the results of the simulations with the experimental ones, we have found that the phototactic behaviour of real cells is more similar to that of the M2 model.

Simulations of Turbine Cooling Flows Using a Multiblock-Multigrid Scheme

NASA Technical Reports Server (NTRS)

Steinthorsson, Erlendur; Ameri, Ali A.; Rigby, David L.

1996-01-01

Results from numerical simulations of air flow and heat transfer in a 'branched duct' geometry are presented. The geometry contains features, including pins and a partition, as are found in coolant passages of turbine blades. The simulations were performed using a multi-block structured grid system and a finite volume discretization of the governing equations (the compressible Navier-Stokes equations). The effects of turbulence on the mean flow and heat transfer were modeled using the Baldwin-Lomax turbulence model. The computed results are compared to experimental data. It was found that the extent of some regions of high heat transfer was somewhat under predicted. It is conjectured that the underlying reason is the local nature of the turbulence model which cannot account for upstream influence on the turbulence field. In general, however, the comparison with the experimental data is favorable.

Thermal transport in UO 2 with defects and fission products by molecular dynamics simulations

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

Liu, Xiang-Yang; Cooper, Michael William Donald; Mcclellan, Kenneth James

2015-10-14

The importance of the thermal transport in nuclear fuel has motivated a wide range of experimental and modelling studies. In this report, the reduction of thermal transport in UO 2 due to defects and fission products has been investigated using non-equilibrium MD simulations, with two sets of empirical potentials for studying the degregation of UO 2 thermal conductivity including a Buckingham type interatomic potential and a recently developed EAM type interatomic potential. Additional parameters for U 5+ and Zr 4+ in UO 2 have been developed for the EAM potential. The thermal conductivity results from MD simulations are then correctedmore » for the spin-phonon scattering through Callaway model formulations. To validate the modelling results, comparison was made with experimental measurements on single crystal hyper-stoichiometric UO 2+x samples.« less

Modelling and simulation of a pervaporation process using tubular module for production of anhydrous ethanol

NASA Astrophysics Data System (ADS)

Hieu, Nguyen Huu

2017-09-01

Pervaporation is a potential process for the final step of ethanol biofuel production. In this study, a mathematical model was developed based on the resistance-in-series model and a simulation was carried out using the specialized simulation software COMSOL Multiphysics to describe a tubular type pervaporation module with membranes for the dehydration of ethanol solution. The permeance of membranes, operating conditions, and feed conditions in the simulation were referred from experimental data reported previously in literature. Accordingly, the simulated temperature and density profiles of pure water and ethanol-water mixture were validated based on existing published data.

Building occupancy simulation and data assimilation using a graph-based agent-oriented model

NASA Astrophysics Data System (ADS)

Rai, Sanish; Hu, Xiaolin

2018-07-01

Building occupancy simulation and estimation simulates the dynamics of occupants and estimates their real-time spatial distribution in a building. It requires a simulation model and an algorithm for data assimilation that assimilates real-time sensor data into the simulation model. Existing building occupancy simulation models include agent-based models and graph-based models. The agent-based models suffer high computation cost for simulating large numbers of occupants, and graph-based models overlook the heterogeneity and detailed behaviors of individuals. Recognizing the limitations of existing models, this paper presents a new graph-based agent-oriented model which can efficiently simulate large numbers of occupants in various kinds of building structures. To support real-time occupancy dynamics estimation, a data assimilation framework based on Sequential Monte Carlo Methods is also developed and applied to the graph-based agent-oriented model to assimilate real-time sensor data. Experimental results show the effectiveness of the developed model and the data assimilation framework. The major contributions of this work are to provide an efficient model for building occupancy simulation that can accommodate large numbers of occupants and an effective data assimilation framework that can provide real-time estimations of building occupancy from sensor data.

A Combined Experimental and Computational Approach to Subject-Specific Analysis of Knee Joint Laxity

PubMed Central

Harris, Michael D.; Cyr, Adam J.; Ali, Azhar A.; Fitzpatrick, Clare K.; Rullkoetter, Paul J.; Maletsky, Lorin P.; Shelburne, Kevin B.

2016-01-01

Modeling complex knee biomechanics is a continual challenge, which has resulted in many models of varying levels of quality, complexity, and validation. Beyond modeling healthy knees, accurately mimicking pathologic knee mechanics, such as after cruciate rupture or meniscectomy, is difficult. Experimental tests of knee laxity can provide important information about ligament engagement and overall contributions to knee stability for development of subject-specific models to accurately simulate knee motion and loading. Our objective was to provide combined experimental tests and finite-element (FE) models of natural knee laxity that are subject-specific, have one-to-one experiment to model calibration, simulate ligament engagement in agreement with literature, and are adaptable for a variety of biomechanical investigations (e.g., cartilage contact, ligament strain, in vivo kinematics). Calibration involved perturbing ligament stiffness, initial ligament strain, and attachment location until model-predicted kinematics and ligament engagement matched experimental reports. Errors between model-predicted and experimental kinematics averaged <2 deg during varus–valgus (VV) rotations, <6 deg during internal–external (IE) rotations, and <3 mm of translation during anterior–posterior (AP) displacements. Engagement of the individual ligaments agreed with literature descriptions. These results demonstrate the ability of our constraint models to be customized for multiple individuals and simultaneously call attention to the need to verify that ligament engagement is in good general agreement with literature. To facilitate further investigations of subject-specific or population based knee joint biomechanics, data collected during the experimental and modeling phases of this study are available for download by the research community. PMID:27306137

Turbine-99 unsteady simulations - Validation

NASA Astrophysics Data System (ADS)

Cervantes, M. J.; Andersson, U.; Lövgren, H. M.

2010-08-01

The Turbine-99 test case, a Kaplan draft tube model, aimed to determine the state of the art within draft tube simulation. Three workshops were organized on the matter in 1999, 2001 and 2005 where the geometry and experimental data were provided as boundary conditions to the participants. Since the last workshop, computational power and flow modelling have been developed and the available data completed with unsteady pressure measurements and phase resolved velocity measurements in the cone. Such new set of data together with the corresponding phase resolved velocity boundary conditions offer new possibilities to validate unsteady numerical simulations in Kaplan draft tube. The present work presents simulation of the Turbine-99 test case with time dependent angular resolved inlet velocity boundary conditions. Different grids and time steps are investigated. The results are compared to experimental time dependent pressure and velocity measurements.

Accurate Mapping of Multilevel Rydberg Atoms on Interacting Spin-1 /2 Particles for the Quantum Simulation of Ising Models

NASA Astrophysics Data System (ADS)

de Léséleuc, Sylvain; Weber, Sebastian; Lienhard, Vincent; Barredo, Daniel; Büchler, Hans Peter; Lahaye, Thierry; Browaeys, Antoine

2018-03-01

We study a system of atoms that are laser driven to n D3 /2 Rydberg states and assess how accurately they can be mapped onto spin-1 /2 particles for the quantum simulation of anisotropic Ising magnets. Using nonperturbative calculations of the pair potentials between two atoms in the presence of electric and magnetic fields, we emphasize the importance of a careful selection of experimental parameters in order to maintain the Rydberg blockade and avoid excitation of unwanted Rydberg states. We benchmark these theoretical observations against experiments using two atoms. Finally, we show that in these conditions, the experimental dynamics observed after a quench is in good agreement with numerical simulations of spin-1 /2 Ising models in systems with up to 49 spins, for which numerical simulations become intractable.

An Improved Dynamic Model for the Respiratory Response to Exercise

PubMed Central

Serna, Leidy Y.; Mañanas, Miguel A.; Hernández, Alher M.; Rabinovich, Roberto A.

2018-01-01

Respiratory system modeling has been extensively studied in steady-state conditions to simulate sleep disorders, to predict its behavior under ventilatory diseases or stimuli and to simulate its interaction with mechanical ventilation. Nevertheless, the studies focused on the instantaneous response are limited, which restricts its application in clinical practice. The aim of this study is double: firstly, to analyze both dynamic and static responses of two known respiratory models under exercise stimuli by using an incremental exercise stimulus sequence (to analyze the model responses when step inputs are applied) and experimental data (to assess prediction capability of each model). Secondly, to propose changes in the models' structures to improve their transient and stationary responses. The versatility of the resulting model vs. the other two is shown according to the ability to simulate ventilatory stimuli, like exercise, with a proper regulation of the arterial blood gases, suitable constant times and a better adjustment to experimental data. The proposed model adjusts the breathing pattern every respiratory cycle using an optimization criterion based on minimization of work of breathing through regulation of respiratory frequency. PMID:29467674

Simulation and Experimental Studies on Grain Selection and Structure Design of the Spiral Selector for Casting Single Crystal Ni-Based Superalloy.

PubMed

Zhang, Hang; Xu, Qingyan

2017-10-27

Grain selection is an important process in single crystal turbine blades manufacturing. Selector structure is a control factor of grain selection, as well as directional solidification (DS). In this study, the grain selection and structure design of the spiral selector were investigated through experimentation and simulation. A heat transfer model and a 3D microstructure growth model were established based on the Cellular automaton-Finite difference (CA-FD) method for the grain selector. Consequently, the temperature field, the microstructure and the grain orientation distribution were simulated and further verified. The average error of the temperature result was less than 1.5%. The grain selection mechanisms were further analyzed and validated through simulations. The structural design specifications of the selector were suggested based on the two grain selection effects. The structural parameters of the spiral selector, namely, the spiral tunnel diameter ( d w ), the spiral pitch ( h b ) and the spiral diameter ( h s ), were studied and the design criteria of these parameters were proposed. The experimental and simulation results demonstrated that the improved selector could accurately and efficiently produce a single crystal structure.

Simulation and Experimental Studies on Grain Selection and Structure Design of the Spiral Selector for Casting Single Crystal Ni-Based Superalloy

PubMed Central

Zhang, Hang; Xu, Qingyan

2017-01-01

Grain selection is an important process in single crystal turbine blades manufacturing. Selector structure is a control factor of grain selection, as well as directional solidification (DS). In this study, the grain selection and structure design of the spiral selector were investigated through experimentation and simulation. A heat transfer model and a 3D microstructure growth model were established based on the Cellular automaton-Finite difference (CA-FD) method for the grain selector. Consequently, the temperature field, the microstructure and the grain orientation distribution were simulated and further verified. The average error of the temperature result was less than 1.5%. The grain selection mechanisms were further analyzed and validated through simulations. The structural design specifications of the selector were suggested based on the two grain selection effects. The structural parameters of the spiral selector, namely, the spiral tunnel diameter (dw), the spiral pitch (hb) and the spiral diameter (hs), were studied and the design criteria of these parameters were proposed. The experimental and simulation results demonstrated that the improved selector could accurately and efficiently produce a single crystal structure. PMID:29077067

Monte Carlo Simulation of Plumes Spectral Emission

DTIC Science & Technology

2005-06-07

ERIM experimental data for hot cell radiance has been performed. It has been shown that NASA standard infrared optical model [3] provides good...Influence of different optical models on predicted numerical data on hot cell radiance for ERIM experimental conditions has been studied. 7...prediction (solid line) of the Hot cell radiance. NASA Standard Infrared Radiation model ; averaged rotational line structure (JLBL=0); spectral

LAGRANGIAN MODELING OF A SUSPENDED-SEDIMENT PULSE.

USGS Publications Warehouse

Schoellhamer, David H.

1987-01-01

The one-dimensional Lagrangian Transport Model (LTM) has been applied in a quasi two-dimensional manner to simulate the transport of a slug injection of microbeads in steady experimental flows. A stationary bed segment was positioned below each parcel location to simulate temporary storage of beads on the bottom of the flume. Only one degree of freedom was available for all three bead simulations. The results show the versatility of the LTM and the ability of the LTM to accurately simulate transport of fine suspended sediment.

Dynamic Simulation of AN Helium Refrigerator

NASA Astrophysics Data System (ADS)

Deschildre, C.; Barraud, A.; Bonnay, P.; Briend, P.; Girard, A.; Poncet, J. M.; Roussel, P.; Sequeira, S. E.

2008-03-01

A dynamic simulation of a large scale existing refrigerator has been performed using the software Aspen Hysys®. The model comprises the typical equipments of a cryogenic system: heat exchangers, expanders, helium phase separators and cold compressors. It represents the 400 W @ 1.8 K Test Facility located at CEA—Grenoble. This paper describes the model development and shows the possibilities and limitations of the dynamic module of Aspen Hysys®. Then, comparison between simulation results and experimental data are presented; the simulation of cooldown process was also performed.

Effect of the barometric phase transition of a DMPA bilayer on the lipid/water interface. An atomistic description by molecular dynamics simulation.

PubMed

Casares, J J Giner; Camacho, L; Romero, M T Martín; Cascales, J J López

2007-12-13

Understanding the structure and dynamics of phospholipid bilayers is of fundamental relevance in biophysics, biochemistry, and chemical physics. Lipid Langmuir monolayers are used as a model of lipid bilayers, because they are much more easily studied experimentally, although some authors question the validity of this model. With the aim of throwing light on this debate, we used molecular dynamics simulations to obtain an atomistic description of a membrane of dimyristoylphosphatidic acid under different surface pressures. Our results show that at low surface pressure the interdigitation between opposite lipids (that is, back-to-back interactions) controls the system structure. In this setting and due to the absence of this effect in the Langmuir monolayers, the behavior between these two systems differs considerably. However, when the surface pressure increases the lipid interdigitation diminishes and so monolayer and bilayer behavior converges. In this work, four computer simulations were carried out, subjecting the phospholipids to lateral pressures ranging from 0.17 to 40 mN/m. The phospholipids were studied in their charged state because this approach is closer to the experimental situation. Special attention was paid to validating our simulation results by comparison with available experimental data, therebeing in general excellent agreement between experimental and simulation data. In addition, the properties of the lipid/solution interface associated with the lipid barometric phase transition were studied.

Use of Linear Perspective Scene Cues in a Simulated Height Regulation Task

NASA Technical Reports Server (NTRS)

Levison, W. H.; Warren, R.

1984-01-01

As part of a long-term effort to quantify the effects of visual scene cuing and non-visual motion cuing in flight simulators, an experimental study of the pilot's use of linear perspective cues in a simulated height-regulation task was conducted. Six test subjects performed a fixed-base tracking task with a visual display consisting of a simulated horizon and a perspective view of a straight, infinitely-long roadway of constant width. Experimental parameters were (1) the central angle formed by the roadway perspective and (2) the display gain. The subject controlled only the pitch/height axis; airspeed, bank angle, and lateral track were fixed in the simulation. The average RMS height error score for the least effective display configuration was about 25% greater than the score for the most effective configuration. Overall, larger and more highly significant effects were observed for the pitch and control scores. Model analysis was performed with the optimal control pilot model to characterize the pilot's use of visual scene cues, with the goal of obtaining a consistent set of independent model parameters to account for display effects.

Reducing numerical costs for core wide nuclear reactor CFD simulations by the Coarse-Grid-CFD

NASA Astrophysics Data System (ADS)

Viellieber, Mathias; Class, Andreas G.

2013-11-01

Traditionally complete nuclear reactor core simulations are performed with subchannel analysis codes, that rely on experimental and empirical input. The Coarse-Grid-CFD (CGCFD) intends to replace the experimental or empirical input with CFD data. The reactor core consists of repetitive flow patterns, allowing the general approach of creating a parametrized model for one segment and composing many of those to obtain the entire reactor simulation. The method is based on a detailed and well-resolved CFD simulation of one representative segment. From this simulation we extract so-called parametrized volumetric forces which close, an otherwise strongly under resolved, coarsely-meshed model of a complete reactor setup. While the formulation so far accounts for forces created internally in the fluid others e.g. obstruction and flow deviation through spacers and wire wraps, still need to be accounted for if the geometric details are not represented in the coarse mesh. These are modelled with an Anisotropic Porosity Formulation (APF). This work focuses on the application of the CGCFD to a complete reactor core setup and the accomplishment of the parametrization of the volumetric forces.

Analysis of laser energy characteristics of laser guided weapons based on the hardware-in-the-loop simulation system

NASA Astrophysics Data System (ADS)

Zhu, Yawen; Cui, Xiaohong; Wang, Qianqian; Tong, Qiujie; Cui, Xutai; Li, Chenyu; Zhang, Le; Peng, Zhong

2016-11-01

The hardware-in-the-loop simulation system, which provides a precise, controllable and repeatable test conditions, is an important part of the development of the semi-active laser (SAL) guided weapons. In this paper, laser energy chain characteristics were studied, which provides a theoretical foundation for the SAL guidance technology and the hardware-in-the-loop simulation system. Firstly, a simplified equation was proposed to adjust the radar equation according to the principles of the hardware-in-the-loop simulation system. Secondly, a theoretical model and calculation method were given about the energy chain characteristics based on the hardware-in-the-loop simulation system. We then studied the reflection characteristics of target and the distance between the missile and target with major factors such as the weather factors. Finally, the accuracy of modeling was verified by experiment as the values measured experimentally generally follow the theoretical results from the model. And experimental results revealed that ratio of attenuation of the laser energy exhibited a non-linear change vs. pulse number, which were in accord with the actual condition.

Experimental Investigations And Numerical Modelling of 210CR12 Steel in Semi-Solid State

NASA Astrophysics Data System (ADS)

Macioł, Piotr; Zalecki, Władysław; Kuziak, Roman; Jakubowicz, Aleksandra; Weglarczyk, Stanisław

2011-05-01

Experimental investigation, including hot compression and simple closed die filling was performed. Temperature range of tests was between 1225 °C and 1320 °C. Temperature selection was adequate with liquid fraction between 20 and 60%, which is typical for thixoforming processes. In the die filling test, steel dies with ceramic layer was used (highly refractory air-setting mortar JM 3300 manufactured by Thermal Ceramics). Experiments were carried out on the Gleeble 3800 physical simulator with MCU unit. In the paper, methodology of experimental investigation is described. Dependency of forming forces on temperature and forming velocities is analysed. Obtained results are discussed. The second part of the paper concerns numerical modelling of semi-solid forming. Numerical models for both sets of test were developed. Structural and Computational Fluid Dynamics models are compared. Initial works in microstructural modelling of 210CR12 steel behaviour are described. Lattice Boltzman Method model for thixotropic flows is introduced. Microscale and macroscale models were integrated into multiscale simulation of semi-solid forming. Some fundamental issues related to multiscale modelling of thixoforming are discussed.

A Phenomenological Model and Validation of Shortening Induced Force Depression during Muscle Contractions

PubMed Central

McGowan, C.P.; Neptune, R.R.; Herzog, W.

2009-01-01

History dependent effects on muscle force development following active changes in length have been measured in a number of experimental studies. However, few muscle models have included these properties or examined their impact on force and power output in dynamic cyclic movements. The goal of this study was to develop and validate a modified Hill-type muscle model that includes shortening induced force depression and assess its influence on locomotor performance. The magnitude of force depression was defined by empirical relationships based on muscle mechanical work. To validate the model, simulations incorporating force depression were developed to emulate single muscle in situ and whole muscle group leg extension experiments. There was excellent agreement between simulation and experimental values, with in situ force patterns closely matching the experimental data (average RMS error < 1.5 N) and force depression in the simulated leg extension exercise being similar in magnitude to experimental values (6.0% vs 6.5%, respectively). To examine the influence of force depression on locomotor performance, simulations of maximum power pedaling with and without force depression were generated. Force depression decreased maximum crank power by 20% – 40%, depending on the relationship between force depression and muscle work used. These results indicate that force depression has the potential to substantially influence muscle power output in dynamic cyclic movements. However, to fully understand the impact of this phenomenon on human movement, more research is needed to characterize the relationship between force depression and mechanical work in large muscles with different morphologies. PMID:19879585

Thermomechanical simulations and experimental validation for high speed incremental forming

NASA Astrophysics Data System (ADS)

Ambrogio, Giuseppina; Gagliardi, Francesco; Filice, Luigino; Romero, Natalia

2016-10-01

Incremental sheet forming (ISF) consists in deforming only a small region of the workspace through a punch driven by a NC machine. The drawback of this process is its slowness. In this study, a high speed variant has been investigated from both numerical and experimental points of view. The aim has been the design of a FEM model able to perform the material behavior during the high speed process by defining a thermomechanical model. An experimental campaign has been performed by a CNC lathe with high speed to test process feasibility. The first results have shown how the material presents the same performance than in conventional speed ISF and, in some cases, better material behavior due to the temperature increment. An accurate numerical simulation has been performed to investigate the material behavior during the high speed process confirming substantially experimental evidence.

SPH modelling of depth-limited turbulent open channel flows over rough boundaries.

PubMed

Kazemi, Ehsan; Nichols, Andrew; Tait, Simon; Shao, Songdong

2017-01-10

A numerical model based on the smoothed particle hydrodynamics method is developed to simulate depth-limited turbulent open channel flows over hydraulically rough beds. The 2D Lagrangian form of the Navier-Stokes equations is solved, in which a drag-based formulation is used based on an effective roughness zone near the bed to account for the roughness effect of bed spheres and an improved sub-particle-scale model is applied to account for the effect of turbulence. The sub-particle-scale model is constructed based on the mixing-length assumption rather than the standard Smagorinsky approach to compute the eddy-viscosity. A robust in/out-flow boundary technique is also proposed to achieve stable uniform flow conditions at the inlet and outlet boundaries where the flow characteristics are unknown. The model is applied to simulate uniform open channel flows over a rough bed composed of regular spheres and validated by experimental velocity data. To investigate the influence of the bed roughness on different flow conditions, data from 12 experimental tests with different bed slopes and uniform water depths are simulated, and a good agreement has been observed between the model and experimental results of the streamwise velocity and turbulent shear stress. This shows that both the roughness effect and flow turbulence should be addressed in order to simulate the correct mechanisms of turbulent flow over a rough bed boundary and that the presented smoothed particle hydrodynamics model accomplishes this successfully. © 2016 The Authors International Journal for Numerical Methods in Fluids Published by John Wiley & Sons Ltd.

Compton scatter imaging: A promising modality for image guidance in lung stereotactic body radiation therapy

PubMed Central

Redler, Gage; Jones, Kevin C.; Templeton, Alistair; Bernard, Damian; Turian, Julius; Chu, James C. H.

2018-01-01

Purpose Lung stereotactic body radiation therapy (SBRT) requires delivering large radiation doses with millimeter accuracy, making image guidance essential. An approach to forming images of patient anatomy from Compton-scattered photons during lung SBRT is presented. Methods To investigate the potential of scatter imaging, a pinhole collimator and flat-panel detector are used for spatial localization and detection of photons scattered during external beam therapy using lung SBRT treatment conditions (6 MV FFF beam). MCNP Monte Carlo software is used to develop a model to simulate scatter images. This model is validated by comparing experimental and simulated phantom images. Patient scatter images are then simulated from 4DCT data. Results Experimental lung tumor phantom images have sufficient contrast-to-noise to visualize the tumor with as few as 10 MU (0.5 s temporal resolution). The relative signal intensity from objects of different composition as well as lung tumor contrast for simulated phantom images agree quantitatively with experimental images, thus validating the Monte Carlo model. Scatter images are shown to display high contrast between different materials (lung, water, bone). Simulated patient images show superior (~double) tumor contrast compared to MV transmission images. Conclusions Compton scatter imaging is a promising modality for directly imaging patient anatomy during treatment without additional radiation, and it has the potential to complement existing technologies and aid tumor tracking and lung SBRT image guidance. PMID:29360151

Compton scatter imaging: A promising modality for image guidance in lung stereotactic body radiation therapy.

PubMed

Redler, Gage; Jones, Kevin C; Templeton, Alistair; Bernard, Damian; Turian, Julius; Chu, James C H

2018-03-01

Lung stereotactic body radiation therapy (SBRT) requires delivering large radiation doses with millimeter accuracy, making image guidance essential. An approach to forming images of patient anatomy from Compton-scattered photons during lung SBRT is presented. To investigate the potential of scatter imaging, a pinhole collimator and flat-panel detector are used for spatial localization and detection of photons scattered during external beam therapy using lung SBRT treatment conditions (6 MV FFF beam). MCNP Monte Carlo software is used to develop a model to simulate scatter images. This model is validated by comparing experimental and simulated phantom images. Patient scatter images are then simulated from 4DCT data. Experimental lung tumor phantom images have sufficient contrast-to-noise to visualize the tumor with as few as 10 MU (0.5 s temporal resolution). The relative signal intensity from objects of different composition as well as lung tumor contrast for simulated phantom images agree quantitatively with experimental images, thus validating the Monte Carlo model. Scatter images are shown to display high contrast between different materials (lung, water, bone). Simulated patient images show superior (~double) tumor contrast compared to MV transmission images. Compton scatter imaging is a promising modality for directly imaging patient anatomy during treatment without additional radiation, and it has the potential to complement existing technologies and aid tumor tracking and lung SBRT image guidance. © 2018 American Association of Physicists in Medicine.

Finite element simulation and experimental verification of steel cord extraction of steel cord conveyor belt splice

NASA Astrophysics Data System (ADS)

Li, X. G.; Long, X. Y.; Jiang, H. Q.; Long, H. B.

2018-05-01

The splice is the weakest part of the entire steel cord conveyor belt. And it occurs steel cord twitch fault frequently. If this fault cannot be dealt with timely and accurately, broken belt accidents would be occurred that affecting the safety of production seriously. In this paper, we investigate the steel cord pullout of the steel cord conveyor belt splice by using ABAQUS software. We selected the strength of steel cord conveyor belt ST630, the same as experiment sample in type specification. The finite element model consists of rubber, steel cord and failure unit. And the failure unit is used to simulate the bonding relationship between the steel cord and the rubber. Mooney-Rivlin hyper-elastic model for rubber was employed in the numerical simulations. The pullout force of length 50.0 mm single steel cord, on both sides of a single steel cord and on both sides of the double steel cords each impacted at steel cord conveyor belt splice were numerically computer and typical results obtained have been validated by experimental result. It shows that the relative error between simulation results and experimental results is within 10% and can be considered that the simulation model is reliable. A new method is provided for studying the steel cord twitch fault of the steel cord conveyor belt splice.

Computer modeling describes gravity-related adaptation in cell cultures.

PubMed

Alexandrov, Ludmil B; Alexandrova, Stoyana; Usheva, Anny

2009-12-16

Questions about the changes of biological systems in response to hostile environmental factors are important but not easy to answer. Often, the traditional description with differential equations is difficult due to the overwhelming complexity of the living systems. Another way to describe complex systems is by simulating them with phenomenological models such as the well-known evolutionary agent-based model (EABM). Here we developed an EABM to simulate cell colonies as a multi-agent system that adapts to hyper-gravity in starvation conditions. In the model, the cell's heritable characteristics are generated and transferred randomly to offspring cells. After a qualitative validation of the model at normal gravity, we simulate cellular growth in hyper-gravity conditions. The obtained data are consistent with previously confirmed theoretical and experimental findings for bacterial behavior in environmental changes, including the experimental data from the microgravity Atlantis and the Hypergravity 3000 experiments. Our results demonstrate that it is possible to utilize an EABM with realistic qualitative description to examine the effects of hypergravity and starvation on complex cellular entities.

A method to identify and analyze biological programs through automated reasoning

PubMed Central

Yordanov, Boyan; Dunn, Sara-Jane; Kugler, Hillel; Smith, Austin; Martello, Graziano; Emmott, Stephen

2016-01-01

Predictive biology is elusive because rigorous, data-constrained, mechanistic models of complex biological systems are difficult to derive and validate. Current approaches tend to construct and examine static interaction network models, which are descriptively rich, but often lack explanatory and predictive power, or dynamic models that can be simulated to reproduce known behavior. However, in such approaches implicit assumptions are introduced as typically only one mechanism is considered, and exhaustively investigating all scenarios is impractical using simulation. To address these limitations, we present a methodology based on automated formal reasoning, which permits the synthesis and analysis of the complete set of logical models consistent with experimental observations. We test hypotheses against all candidate models, and remove the need for simulation by characterizing and simultaneously analyzing all mechanistic explanations of observed behavior. Our methodology transforms knowledge of complex biological processes from sets of possible interactions and experimental observations to precise, predictive biological programs governing cell function. PMID:27668090

A model for the kinetics of a solar-pumped long path laser experiment

NASA Technical Reports Server (NTRS)

Stock, L. V.; Wilson, J. W.; Deyoung, R. J.

1986-01-01

A kinetic model for a solar-simulator pumped iodine laser system is developed and compared to an experiment in which the solar simulator output is dispersed over a large active volume (150 cu cm) with low simulator light intensity (approx. 200 solar constants). A trace foreign gas which quenches the upper level is introduced into the model. Furthermore, a constant representing optical absorption of the stimulated emission is introduced, in addition to a constant representing the scattering at each of the mirrors, via the optical cavity time constant. The non-uniform heating of the gas is treated as well as the pressure change as a function of time within the cavity. With these new phenomena introduced into the kinetic model, a best reasonable fit to the experimental data is found by adjusting the reaction rate coefficients within the range of known uncertainty by numerical methods giving a new bound within this range of uncertainty. The experimental parameters modeled are the lasing time, laser pulse energy, and time to laser threshold.

Modeling of Driver Steering Operations in Lateral Wind Disturbances toward Driver Assistance System

NASA Astrophysics Data System (ADS)

Kurata, Yoshinori; Wada, Takahiro; Kamiji, Norimasa; Doi, Shun'ichi

Disturbances decrease vehicle stability and increase driver's mental and physical workload. Especially unexpected disturbances such as lateral winds have severe effect on vehicle stability and driver's workload. This study aims at building a driver model of steering operations in lateral wind toward developing effective driver assistance system. First, the relationship between the driver's lateral motion and its reactive quick steering behavior is investigated using driving simulator with lateral 1dof motion. In the experiments, four different wind patterns are displayed by the simulator. As the results, strong correlation was found between the driver's head lateral jerk by the lateral disturbance and the angular acceleration of the steering wheel. Then, we build a mathematical model of driver's steering model from lateral disturbance input to steering torque of the reactive quick feed-forward steering based on the experimental results. Finally, validity of the proposed model is shown by comparing the steering torque of experimental results and that of simulation results.

A neural-network-based model for the dynamic simulation of the tire/suspension system while traversing road irregularities.

PubMed

Guarneri, Paolo; Rocca, Gianpiero; Gobbi, Massimiliano

2008-09-01

This paper deals with the simulation of the tire/suspension dynamics by using recurrent neural networks (RNNs). RNNs are derived from the multilayer feedforward neural networks, by adding feedback connections between output and input layers. The optimal network architecture derives from a parametric analysis based on the optimal tradeoff between network accuracy and size. The neural network can be trained with experimental data obtained in the laboratory from simulated road profiles (cleats). The results obtained from the neural network demonstrate good agreement with the experimental results over a wide range of operation conditions. The NN model can be effectively applied as a part of vehicle system model to accurately predict elastic bushings and tire dynamics behavior. Although the neural network model, as a black-box model, does not provide a good insight of the physical behavior of the tire/suspension system, it is a useful tool for assessing vehicle ride and noise, vibration, harshness (NVH) performance due to its good computational efficiency and accuracy.

Effect of turbulence modelling to predict combustion and nanoparticle production in the flame assisted spray dryer based on computational fluid dynamics

NASA Astrophysics Data System (ADS)

Septiani, Eka Lutfi; Widiyastuti, W.; Winardi, Sugeng; Machmudah, Siti; Nurtono, Tantular; Kusdianto

2016-02-01

Flame assisted spray dryer are widely uses for large-scale production of nanoparticles because of it ability. Numerical approach is needed to predict combustion and particles production in scale up and optimization process due to difficulty in experimental observation and relatively high cost. Computational Fluid Dynamics (CFD) can provide the momentum, energy and mass transfer, so that CFD more efficient than experiment due to time and cost. Here, two turbulence models, k-ɛ and Large Eddy Simulation were compared and applied in flame assisted spray dryer system. The energy sources for particle drying was obtained from combustion between LPG as fuel and air as oxidizer and carrier gas that modelled by non-premixed combustion in simulation. Silica particles was used to particle modelling from sol silica solution precursor. From the several comparison result, i.e. flame contour, temperature distribution and particle size distribution, Large Eddy Simulation turbulence model can provide the closest data to the experimental result.

Modeling of stochastic motion of bacteria propelled spherical microbeads

NASA Astrophysics Data System (ADS)

Arabagi, Veaceslav; Behkam, Bahareh; Cheung, Eugene; Sitti, Metin

2011-06-01

This work proposes a stochastic dynamic model of bacteria propelled spherical microbeads as potential swimming microrobotic bodies. Small numbers of S. marcescens bacteria are attached with their bodies to surfaces of spherical microbeads. Average-behavior stochastic models that are normally adopted when studying such biological systems are generally not effective for cases in which a small number of agents are interacting in a complex manner, hence a stochastic model is proposed to simulate the behavior of 8-41 bacteria assembled on a curved surface. Flexibility of the flagellar hook is studied via comparing simulated and experimental results for scenarios of increasing bead size and the number of attached bacteria on a bead. Although requiring more experimental data to yield an exact, certain flagellar hook stiffness value, the examined results favor a stiffer flagella. The stochastic model is intended to be used as a design and simulation tool for future potential targeted drug delivery and disease diagnosis applications of bacteria propelled microrobots.

Experimental measurement of microwave ablation heating pattern and comparison to computer simulations.

PubMed

Deshazer, Garron; Prakash, Punit; Merck, Derek; Haemmerich, Dieter

2017-02-01

For computational models of microwave ablation (MWA), knowledge of the antenna design is necessary, but the proprietary design of clinical applicators is often unknown. We characterised the specific absorption rate (SAR) during MWA experimentally and compared to a multi-physics simulation. An infrared (IR) camera was used to measure SAR during MWA within a split ex vivo liver model. Perseon Medical's short-tip (ST) or long-tip (LT) MWA antenna were placed on top of a tissue sample (n = 6), and microwave power (15 W) was applied for 6 min, while intermittently interrupting power. Tissue surface temperature was recorded via IR camera (3.3 fps, 320 × 240 resolution). SAR was calculated intermittently based on temperature slope before and after power interruption. Temperature and SAR data were compared to simulation results. Experimentally measured SAR changed considerably once tissue temperatures exceeded 100 °C, contrary to simulation results. The ablation zone diameters were 1.28 cm and 1.30 ± 0.03 cm (transverse), and 2.10 cm and 2.66 ± -0.22 cm (axial), for simulation and experiment, respectively. The average difference in temperature between the simulation and experiment were 5.6 °C (ST) and 6.2 °C (LT). Dice coefficients for 1000 W/kg SAR iso-contour were 0.74 ± 0.01 (ST) and 0.77 (± 0.03) (LT), suggesting good agreement of SAR contours. We experimentally demonstrated changes in SAR during MWA ablation, which were not present in simulation, suggesting inaccuracies in dielectric properties. The measured SAR may be used in simplified computer simulations to predict tissue temperature when the antenna geometry is unknown.

A Comparative Study of High and Low Fidelity Fan Models for Turbofan Engine System Simulation

NASA Technical Reports Server (NTRS)

Reed, John A.; Afjeh, Abdollah A.

1991-01-01

In this paper, a heterogeneous propulsion system simulation method is presented. The method is based on the formulation of a cycle model of a gas turbine engine. The model includes the nonlinear characteristics of the engine components via use of empirical data. The potential to simulate the entire engine operation on a computer without the aid of data is demonstrated by numerically generating "performance maps" for a fan component using two flow models of varying fidelity. The suitability of the fan models were evaluated by comparing the computed performance with experimental data. A discussion of the potential benefits and/or difficulties in connecting simulations solutions of differing fidelity is given.

Best Practices for Crash Modeling and Simulation

NASA Technical Reports Server (NTRS)

Fasanella, Edwin L.; Jackson, Karen E.

2002-01-01

Aviation safety can be greatly enhanced by the expeditious use of computer simulations of crash impact. Unlike automotive impact testing, which is now routine, experimental crash tests of even small aircraft are expensive and complex due to the high cost of the aircraft and the myriad of crash impact conditions that must be considered. Ultimately, the goal is to utilize full-scale crash simulations of aircraft for design evaluation and certification. The objective of this publication is to describe "best practices" for modeling aircraft impact using explicit nonlinear dynamic finite element codes such as LS-DYNA, DYNA3D, and MSC.Dytran. Although "best practices" is somewhat relative, it is hoped that the authors' experience will help others to avoid some of the common pitfalls in modeling that are not documented in one single publication. In addition, a discussion of experimental data analysis, digital filtering, and test-analysis correlation is provided. Finally, some examples of aircraft crash simulations are described in several appendices following the main report.

Large-Eddy Simulation of Waked Turbines in a Scaled Wind Farm Facility

NASA Astrophysics Data System (ADS)

Wang, J.; McLean, D.; Campagnolo, F.; Yu, T.; Bottasso, C. L.

2017-05-01

The aim of this paper is to present the numerical simulation of waked scaled wind turbines operating in a boundary layer wind tunnel. The simulation uses a LES-lifting-line numerical model. An immersed boundary method in conjunction with an adequate wall model is used to represent the effects of both the wind turbine nacelle and tower, which are shown to have a considerable effect on the wake behavior. Multi-airfoil data calibrated at different Reynolds numbers are used to account for the lift and drag characteristics at the low and varying Reynolds conditions encountered in the experiments. The present study focuses on low turbulence inflow conditions and inflow non-uniformity due to wind tunnel characteristics, while higher turbulence conditions are considered in a separate study. The numerical model is validated by using experimental data obtained during test campaigns conducted with the scaled wind farm facility. The simulation and experimental results are compared in terms of power capture, rotor thrust, downstream velocity profiles and turbulence intensity.

A full three dimensional Navier-Stokes numerical simulation of flow field inside a power plant Kaplan turbine using some model test turbine hill chart points

NASA Astrophysics Data System (ADS)

Hosseinalipour, S. M.; Raja, A.; Hajikhani, S.

2012-06-01

A full three dimensional Navier - Stokes numerical simulation has been performed for performance analysis of a Kaplan turbine which is installed in one of the Irans south dams. No simplifications have been enforced in the simulation. The numerical results have been evaluated using some integral parameters such as the turbine efficiency via comparing the results with existing experimental data from the prototype Hill chart. In part of this study the numerical simulations were performed in order to calculate the prototype turbine efficiencies in some specific points which comes from the scaling up of the model efficiency that are available in the model experimental Hill chart. The results are very promising which shows the good ability of the numerical techniques for resolving the flow characteristics in these kind of complex geometries. A parametric study regarding the evaluation of turbine performance in three different runner angles of the prototype is also performed and the results are cited in this paper.

Simulated growth and production of endangered Snake River Sockeye Salmon: Assessing management strategies for the nursery lakes

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

Luecke, C.; Wurtsbaugh, W.A.; Budy, P.

1996-06-01

This document examines the potential of employing a series of lake management strategies to enhance production of endangered Snake River sockeye salmon (Oncorhynchus nerka) in its historical nursery lakes in central Idaho. A combination of limnological sampling, experimentation, and simulation modeling was used to assess effects of lake fertilization and kokanee reduction on growth and survival of juvenile sockeye salmon. Juvenile sockeye salmon from a broodstock of this endangered species are being introduced into the lakes from 1995 to 1998. Results of our analyses indicated that several lakes were suitable for receiving broodstock progeny. Field experimentation and simulation modeling indicatedmore » that lake fertilization, coupled with a program of kokanee reduction, provided the management option most likely to enhance the survival of stocked juvenile sockeye salmon. Simulation models that encompass physiological requirements, ecological interactions, and life-history consequences could be used as templates to help develop recovery plans for other endangered fishes. 4 figs., 2 tabs.« less

Modeling the mechanical properties of ultra-thin polymer films [Structural modeling of films of atomic scale thickness

DOE PAGES

Espinosa-Loza, Francisco; Stadermann, Michael; Aracne-Ruddle, Chantel; ...

2017-11-16

A modeling method to extract the mechanical properties of ultra-thin films (10–100 nm thick) from experimental data generated by indentation of freestanding circular films using a spherical indenter is presented. The relationship between the mechanical properties of the film and experimental parameters including load, and deflection are discussed in the context of a constitutive material model, test variables, and analytical approaches. As a result, elastic and plastic regimes are identified by comparison of finite element simulation and experimental data.

Modeling the mechanical properties of ultra-thin polymer films [Structural modeling of films of atomic scale thickness

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

Espinosa-Loza, Francisco; Stadermann, Michael; Aracne-Ruddle, Chantel

A modeling method to extract the mechanical properties of ultra-thin films (10–100 nm thick) from experimental data generated by indentation of freestanding circular films using a spherical indenter is presented. The relationship between the mechanical properties of the film and experimental parameters including load, and deflection are discussed in the context of a constitutive material model, test variables, and analytical approaches. As a result, elastic and plastic regimes are identified by comparison of finite element simulation and experimental data.

Atmosphere Behavior in Gas-Closed Mouse-Algal Systems: An Experimental and Modelling Study

NASA Technical Reports Server (NTRS)

Averner, M. M.; Moore, B., III; Bartholomew, I.; Wharton, R.

1985-01-01

A dual approach of mathematical modelling and laboratory experimentation aimed at examining the gas exchange characteristics of artificial animal/plant systems closed to the ambient atmosphere was initiated. The development of control techniques and management strategies for maintaining the atmospheric levels of carbon dioxide and oxygen at physiological levels is examined. A mathematical model simulating the atmospheric behavior in these systems was developed and an experimental gas closed system was constructed. These systems are described and preliminary results are presented.

Numerical and experimental modelling of the centrifugal compressor stage - setting the model of impellers with 2D blades

NASA Astrophysics Data System (ADS)

Matas, Richard; Syka, Tomáš; Luňáček, Ondřej

The article deals with a description of results from research and development of a radial compressor stage. The experimental compressor and used numerical models are briefly described. In the first part, the comparisons of characteristics obtained experimentally and by numerical simulations for stage with vaneless diffuser are described. In the second part, the results for stage with vanned diffuser are presented. The results are relevant for next studies in research and development process.

Quantum Simulation of the Quantum Rabi Model in a Trapped Ion

NASA Astrophysics Data System (ADS)

Lv, Dingshun; An, Shuoming; Liu, Zhenyu; Zhang, Jing-Ning; Pedernales, Julen S.; Lamata, Lucas; Solano, Enrique; Kim, Kihwan

2018-04-01

The quantum Rabi model, involving a two-level system and a bosonic field mode, is arguably the simplest and most fundamental model describing quantum light-matter interactions. Historically, due to the restricted parameter regimes of natural light-matter processes, the richness of this model has been elusive in the lab. Here, we experimentally realize a quantum simulation of the quantum Rabi model in a single trapped ion, where the coupling strength between the simulated light mode and atom can be tuned at will. The versatility of the demonstrated quantum simulator enables us to experimentally explore the quantum Rabi model in detail, including a wide range of otherwise unaccessible phenomena, as those happening in the ultrastrong and deep strong-coupling regimes. In this sense, we are able to adiabatically generate the ground state of the quantum Rabi model in the deep strong-coupling regime, where we are able to detect the nontrivial entanglement between the bosonic field mode and the two-level system. Moreover, we observe the breakdown of the rotating-wave approximation when the coupling strength is increased, and the generation of phonon wave packets that bounce back and forth when the coupling reaches the deep strong-coupling regime. Finally, we also measure the energy spectrum of the quantum Rabi model in the ultrastrong-coupling regime.

Electrical Conductivity in Transparent Silver Nanowire Networks: Simulations and Experiments

NASA Astrophysics Data System (ADS)

Sherrott, Michelle; Mutiso, Rose; Rathmell, Aaron; Wiley, Benjamin; Winey, Karen

2012-02-01

We model and experimentally measure the electrical conductivity of two-dimensional networks containing finite, conductive cylinders with aspect ratio ranging from 33 to 333. We have previously used our simulations to explore the effects of cylinder orientation and aspect ratio in three-dimensional composites, and now extend the simulation to consider two-dimensional silver nanowire networks. Preliminary results suggest that increasing the aspect ratio and area fraction of these rods significantly decreases the sheet resistance of the film. For all simulated aspect ratios, this sheet resistance approaches a constant value for high area fractions of rods. This implies that regardless of aspect ratio, there is a limiting minimum sheet resistance that is characteristic of the properties of the nanowires. Experimental data from silver nanowire networks will be incorporated into the simulations to define the contact resistance and corroborate experimentally measured sheet resistances of transparent thin films.

Simulating muscular thin films using thermal contraction capabilities in finite element analysis tools.

PubMed

Webster, Victoria A; Nieto, Santiago G; Grosberg, Anna; Akkus, Ozan; Chiel, Hillel J; Quinn, Roger D

2016-10-01

In this study, new techniques for approximating the contractile properties of cells in biohybrid devices using Finite Element Analysis (FEA) have been investigated. Many current techniques for modeling biohybrid devices use individual cell forces to simulate the cellular contraction. However, such techniques result in long simulation runtimes. In this study we investigated the effect of the use of thermal contraction on simulation runtime. The thermal contraction model was significantly faster than models using individual cell forces, making it beneficial for rapidly designing or optimizing devices. Three techniques, Stoney׳s Approximation, a Modified Stoney׳s Approximation, and a Thermostat Model, were explored for calibrating thermal expansion/contraction parameters (TECPs) needed to simulate cellular contraction using thermal contraction. The TECP values were calibrated by using published data on the deflections of muscular thin films (MTFs). Using these techniques, TECP values that suitably approximate experimental deflections can be determined by using experimental data obtained from cardiomyocyte MTFs. Furthermore, a sensitivity analysis was performed in order to investigate the contribution of individual variables, such as elastic modulus and layer thickness, to the final calibrated TECP for each calibration technique. Additionally, the TECP values are applicable to other types of biohybrid devices. Two non-MTF models were simulated based on devices reported in the existing literature. Copyright © 2016 Elsevier Ltd. All rights reserved.

On the kinetics of anaerobic power

PubMed Central

2012-01-01

Background This study investigated two different mathematical models for the kinetics of anaerobic power. Model 1 assumes that the work power is linear with the work rate, while Model 2 assumes a linear relationship between the alactic anaerobic power and the rate of change of the aerobic power. In order to test these models, a cross country skier ran with poles on a treadmill at different exercise intensities. The aerobic power, based on the measured oxygen uptake, was used as input to the models, whereas the simulated blood lactate concentration was compared with experimental results. Thereafter, the metabolic rate from phosphocreatine break down was calculated theoretically. Finally, the models were used to compare phosphocreatine break down during continuous and interval exercises. Results Good similarity was found between experimental and simulated blood lactate concentration during steady state exercise intensities. The measured blood lactate concentrations were lower than simulated for intensities above the lactate threshold, but higher than simulated during recovery after high intensity exercise when the simulated lactate concentration was averaged over the whole lactate space. This fit was improved when the simulated lactate concentration was separated into two compartments; muscles + internal organs and blood. Model 2 gave a better behavior of alactic energy than Model 1 when compared against invasive measurements presented in the literature. During continuous exercise, Model 2 showed that the alactic energy storage decreased with time, whereas Model 1 showed a minimum value when steady state aerobic conditions were achieved. During interval exercise the two models showed similar patterns of alactic energy. Conclusions The current study provides useful insight on the kinetics of anaerobic power. Overall, our data indicate that blood lactate levels can be accurately modeled during steady state, and suggests a linear relationship between the alactic anaerobic power and the rate of change of the aerobic power. PMID:22830586

Effect of the pulmonary deposition and in vitro permeability on the prediction of plasma levels of inhaled budesonide formulation.

PubMed

Salar-Behzadi, Sharareh; Wu, Shengqian; Mercuri, Annalisa; Meindl, Claudia; Stranzinger, Sandra; Fröhlich, Eleonore

2017-10-30

The growing interest in the inhalable pharmaceutical products requires advanced approaches to safe and fast product development, such as in silico tools that can be used for estimating the bioavailability and toxicity of developed formulation. GastroPlus™ is one of the few available software packages for in silico simulation of PBPK profile of inhalable products. It contains a complementary module for calculating the lung deposition, the permeability and the systemic absorption of inhalable products. Experimental values of lung deposition and permeability can also be used. This study aims to assess the efficiency of simulation by applying experimental permeability and deposition values, using budesonide as a model substance. The lung deposition values were obtained from the literature, the lung permeability data were experimentally determined by culturing Calu-3 cells under air-liquid interface and submersed conditions to morphologically resemble bronchial and alveolar epithelial cells, respectively. A two-compartment PK model was created for i.v. administration and used as a background for the in silico simulation of the plasma profile of budesonide after inhalation. The predicted plasma profile was compared with the in vivo data from the literature and the effects of experimental lung deposition and permeability on prediction were assessed. The developed model was significantly improved by using realistic lung deposition data combined with experimental data for peripheral permeability. Copyright © 2017 Elsevier B.V. All rights reserved.

DSMC study of oxygen shockwaves based on high-fidelity vibrational relaxation and dissociation models

NASA Astrophysics Data System (ADS)

Borges Sebastião, Israel; Kulakhmetov, Marat; Alexeenko, Alina

2017-01-01

This work evaluates high-fidelity vibrational-translational (VT) energy relaxation and dissociation models for pure O2 normal shockwave simulations with the direct simulation Monte Carlo (DSMC) method. The O2-O collisions are described using ab initio state-specific relaxation and dissociation models. The Macheret-Fridman (MF) dissociation model is adapted to the DSMC framework by modifying the standard implementation of the total collision energy (TCE) model. The O2-O2 dissociation is modeled with this TCE+MF approach, which is calibrated with O2-O ab initio data and experimental equilibrium dissociation rates. The O2-O2 vibrational relaxation is modeled via the Larsen-Borgnakke model, calibrated to experimental VT rates. All the present results are compared to experimental data and previous calculations available in the literature. It is found that, in general, the ab initio dissociation model is better than the TCE model at matching the shock experiments. Therefore, when available, efficient ab initio models are preferred over phenomenological models. We also show that the proposed TCE + MF formulation can be used to improve the standard TCE model results when ab initio data are not available or limited.

Flexible statistical modelling detects clinical functional magnetic resonance imaging activation in partially compliant subjects.

PubMed

Waites, Anthony B; Mannfolk, Peter; Shaw, Marnie E; Olsrud, Johan; Jackson, Graeme D

2007-02-01

Clinical functional magnetic resonance imaging (fMRI) occasionally fails to detect significant activation, often due to variability in task performance. The present study seeks to test whether a more flexible statistical analysis can better detect activation, by accounting for variance associated with variable compliance to the task over time. Experimental results and simulated data both confirm that even at 80% compliance to the task, such a flexible model outperforms standard statistical analysis when assessed using the extent of activation (experimental data), goodness of fit (experimental data), and area under the operator characteristic curve (simulated data). Furthermore, retrospective examination of 14 clinical fMRI examinations reveals that in patients where the standard statistical approach yields activation, there is a measurable gain in model performance in adopting the flexible statistical model, with little or no penalty in lost sensitivity. This indicates that a flexible model should be considered, particularly for clinical patients who may have difficulty complying fully with the study task.

Kinetic modeling of kraft delignification of Eucalyptus globulus

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

Santos, A.; Rodriguez, F.; Gilarranz, M.A.

1997-10-01

A kinetic model for the kraft pulping delignification of Eucalyptus globulus is proposed. This model is discriminated among some kinetic expressions often used in the literature, and the kinetic parameters are determined by fitting of experimental results. A total of 25 isothermal experiments at liquor-to-wood ratios of 50 and 5 L/kg have been carried out. Initial, bulk, and residual delignification stages have been observed during the lignin removal, the transitions being, referring to the lignin initial content, about 82 and 3%. Carbohydrate removal and effective alkali-metal and hydrosulfide consumption have been related with the lignin removal by means of effectivemore » stoichiometric coefficients for each stage, coefficients also being calculated by fitting of the experimental data. The kinetic model chosen has been used to simulate typical kraft pulping experiments carried out at nonisothermal conditions, using a temperature ramp. The model yields simulated values close to those obtained experimentally for the wood studied and also ably reproduces the trends of the literature data.« less

A multi-scale experimental and simulation approach for fractured subsurface systems

NASA Astrophysics Data System (ADS)

Viswanathan, H. S.; Carey, J. W.; Frash, L.; Karra, S.; Hyman, J.; Kang, Q.; Rougier, E.; Srinivasan, G.

2017-12-01

Fractured systems play an important role in numerous subsurface applications including hydraulic fracturing, carbon sequestration, geothermal energy and underground nuclear test detection. Fractures that range in scale from microns to meters and their structure control the behavior of these systems which provide over 85% of our energy and 50% of US drinking water. Determining the key mechanisms in subsurface fractured systems has been impeded due to the lack of sophisticated experimental methods to measure fracture aperture and connectivity, multiphase permeability, and chemical exchange capacities at the high temperature, pressure, and stresses present in the subsurface. In this study, we developed and use microfluidic and triaxial core flood experiments required to reveal the fundamental dynamics of fracture-fluid interactions. In addition we have developed high fidelity fracture propagation and discrete fracture network flow models to simulate these fractured systems. We also have developed reduced order models of these fracture simulators in order to conduct uncertainty quantification for these systems. We demonstrate an integrated experimental/modeling approach that allows for a comprehensive characterization of fractured systems and develop models that can be used to optimize the reservoir operating conditions over a range of subsurface conditions.

Simulation and parametric study of a film-coated controlled-release pharmaceutical.

PubMed

Borgquist, Per; Zackrisson, Gunnar; Nilsson, Bernt; Axelsson, Anders

2002-04-23

Pharmaceutical formulations can be designed as Multiple Unit Systems, such as Roxiam CR, studied in this work. The dose is administrated as a capsule, which contains about 100 individual pellets, which in turn contain the active drug remoxipride. Experimental data for a large number of single pellets can be obtained by studying the release using microtitre plates. This makes it possible to study the release of the individual subunits making up the total dose. A mathematical model for simulating the release of remoxipride from single film-coated pellets is presented including internal and external mass transfer hindrance apart from the most important film resistance. The model can successfully simulate the release of remoxipride from single film-coated pellets if the lag phase of the experimental data is ignored. This was shown to have a minor influence on the release rate. The use of the present model is demonstrated by a parametric study showing that the release process is film-controlled, i.e. is limited by the mass transport through the polymer coating. The model was used to fit the film thickness and the drug loading to the experimental release data. The variation in the fitted values was similar to that obtained in the experiments.

The Elastic Behaviour of Sintered Metallic Fibre Networks: A Finite Element Study by Beam Theory

PubMed Central

Bosbach, Wolfram A.

2015-01-01

Background The finite element method has complimented research in the field of network mechanics in the past years in numerous studies about various materials. Numerical predictions and the planning efficiency of experimental procedures are two of the motivational aspects for these numerical studies. The widespread availability of high performance computing facilities has been the enabler for the simulation of sufficiently large systems. Objectives and Motivation In the present study, finite element models were built for sintered, metallic fibre networks and validated by previously published experimental stiffness measurements. The validated models were the basis for predictions about so far unknown properties. Materials and Methods The finite element models were built by transferring previously published skeletons of fibre networks into finite element models. Beam theory was applied as simplification method. Results and Conclusions The obtained material stiffness isn’t a constant but rather a function of variables such as sample size and boundary conditions. Beam theory offers an efficient finite element method for the simulated fibre networks. The experimental results can be approximated by the simulated systems. Two worthwhile aspects for future work will be the influence of size and shape and the mechanical interaction with matrix materials. PMID:26569603

Simulation of the detonation process of an ammonium nitrate based emulsion explosive using the Lee-Tarver reactive flow model

NASA Astrophysics Data System (ADS)

Ribeiro, Jose; Silva, Cristovao; Mendes, Ricardo; Plaksin, Igor; Campos, Jose

2011-06-01

The use of emulsion explosives [EEx] for processing materials (compaction, welding and forming) requires the ability to perform detailed simulations of its detonation process [DP]. Detailed numerical simulations of the DP of this kind of explosives, characterized by having a finite reaction zone thickness, are thought to be suitable performed using the Lee-Tarver reactive flow model. In this work a real coded genetic algorithm methodology was used to estimate the 15 parameters of the reaction rate equation [RRE] of that model for a particular EEx. This methodology allows, in a single optimization procedure, using only one experimental result and without the need of any starting solution, to seek for the 15 parameters of the RRE 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 EoS assessment and the thermochemical code THOR retrieved the data used in the detonation products JWL EoS assessment. The obtained parameters allow a good description of the experimental data and show some peculiarities arising from the intrinsic nature of this kind of composite explosive.

Ion velocity distribution functions in argon and helium discharges: detailed comparison of numerical simulation results and experimental data

NASA Astrophysics Data System (ADS)

Wang, Huihui; Sukhomlinov, Vladimir S.; Kaganovich, Igor D.; Mustafaev, Alexander S.

2017-02-01

Using the Monte Carlo collision method, we have performed simulations of ion velocity distribution functions (IVDF) taking into account both elastic collisions and charge exchange collisions of ions with atoms in uniform electric fields for argon and helium background gases. The simulation results are verified by comparison with the experiment data of the ion mobilities and the ion transverse diffusion coefficients in argon and helium. The recently published experimental data for the first seven coefficients of the Legendre polynomial expansion of the ion energy and angular distribution functions are used to validate simulation results for IVDF. Good agreement between measured and simulated IVDFs shows that the developed simulation model can be used for accurate calculations of IVDFs.

CFD simulation of liquid-liquid dispersions in a stirred tank bioreactor

NASA Astrophysics Data System (ADS)

Gelves, R.

2013-10-01

In this paper simulations were developed in order to allow the examinations of drop sizes in liquid-liquid dispersions (oil-water) in a stirred tank bioreactor using CFD simulations (Computational Fluid Dynamics). The effects of turbulence, rotating flow, drop breakage were simulated by using the k-e, MRF (Multiple Reference Frame) and PBM (Population Balance Model), respectively. The numerical results from different operational conditions are compared with experimental data obtained from an endoscope technique and good agreement is achieved. Motivated by these simulated and experimental results CFD simulations are qualified as a very promising tool for predicting hydrodynamics and drop sizes especially useful for liquid-liquid applications which are characterized by the challenging problem of emulsion stability due to undesired drop sizes.

Prediction of Forming Limit Diagram for Seamed Tube Hydroforming Based on Thickness Gradient Criterion

NASA Astrophysics Data System (ADS)

Chen, Xianfeng; Lin, Zhongqin; Yu, Zhongqi; Chen, Xinping; Li, Shuhui

2011-08-01

This study establishes the forming limit diagram (FLD) for QSTE340 seamed tube hydroforming by finite element method (FEM) simulation. FLD is commonly obtained from experiment, theoretical calculation and FEM simulation. But for tube hydroforming, both of the experimental and theoretical means are restricted in the application due to the equipment costs and the lack of authoritative theoretical knowledge. In this paper, a novel approach of predicting forming limit using thickness gradient criterion (TGC) is presented for seamed tube hydroforming. Firstly, tube bulge tests and uniaxial tensile tests are performed to obtain the stress-strain curve for tube three parts. Then one FE model for a classical tube free hydroforming and another FE model for a novel experimental apparatus by applying the lateral compression force and the internal pressure are constructed. After that, the forming limit strain is calculated based on TGC in the FEM simulation. Good agreement between the simulation and experimental results is indicated. By combining the TGC and FEM, an alternative way of predicting forming limit with enough accuracy and convenience is provided.

Static response of deformable microchannels

NASA Astrophysics Data System (ADS)

Christov, Ivan C.; Sidhore, Tanmay C.

2017-11-01

Microfluidic channels manufactured from PDMS are a key component of lab-on-a-chip devices. Experimentally, rectangular microchannels are found to deform into a non-rectangular cross-section due to fluid-structure interactions. Deformation affects the flow profile, which results in a nonlinear relationship between the volumetric flow rate and the pressure drop. We develop a framework, within the lubrication approximation (l >> w >> h), to self-consistently derive flow rate-pressure drop relations. Emphasis is placed on handling different types of elastic response: from pure plate-bending, to half-space deformation, to membrane stretching. The ``simplest'' model (Stokes flow in a 3D rectangular channel capped with a linearly elastic Kirchhoff-Love plate) agrees well with recent experiments. We also simulate the static response of such microfluidic channels under laminar flow conditions using ANSYSWorkbench. Simulations are calibrated using experimental flow rate-pressure drop data from the literature. The simulations provide highly resolved deformation profiles, which are difficult to measure experimentally. By comparing simulations, experiments and our theoretical models, we show good agreement in many flow/deformation regimes, without any fitting parameters.

Comparison of aldehyde emissions simulation with FTIR measurements in the exhaust of a spark ignition engine fueled by ethanol

NASA Astrophysics Data System (ADS)

Zarante, Paola Helena Barros; Sodré, José Ricardo

2018-07-01

This work presents a numerical simulation model for aldehyde formation and exhaust emissions from ethanol-fueled spark ignition engines. The aldehyde simulation model was developed using FORTRAN software, with the input data obtained from the dedicated engine cycle simulation software AVL BOOST. The model calculates formaldehyde and acetaldehyde concentrations from post-flame partial oxidation of methane, ethane and unburned ethanol. The calculated values were compared with experimental data obtained from a mid-size sedan powered by a 1.4-l spark ignition engine, tested on a chassis dynamometer. Exhaust aldehyde concentrations were determined using a Fourier Transform Infrared (FTIR) Spectroscopy analyzer. In general, the results demonstrate that the concentrations of aldehydes and the source elements increased with engine speed and exhaust gas temperature. The measured acetaldehyde concentrations showed values from 3 to 6 times higher than formaldehyde in the range studied. The model could predict reasonably well the qualitative experimental trends, with the quantitative results showing a maximum discrepancy of 39% for acetaldehyde concentration and 21 ppm for exhaust formaldehyde.