Explicit Two-Phase Modeling of the Initiation of Saltation over Heterogeneous Sand Beds

NASA Astrophysics Data System (ADS)

Turney, F. A.; Kok, J. F.; Martin, R. L.; Burr, D. M.; Bridges, N.; Ortiz, C. P.; Smith, J. K.; Emery, J. P.; Van Lew, J. T.

2016-12-01

The initiation of aeolian sediment transport is key in understanding the geomorphology of arid landscapes and emission of mineral dust into the atmosphere. Despite its importance, the process of saltation initiation remains poorly understood, and current models are highly simplified. Previous models of the initiation of aeolian saltation have assumed the particle bed to be monodisperse and homogeneous in arrangement, ignoring the distribution of particle thresholds created by different bed geometries and particle sizes. In addition, mean wind speeds are often used in place of a turbulent wind field, ignoring the distribution of wind velocities at the particle level. Furthermore, the transition from static bed to steady state saltation is often modeled as resulting directly from fluid lifting, while in reality particles need to hop and roll along the surface before attaining enough height and momentum to initiate the cascade of particle splashes that characterizes saltation. We simulate the initiation of saltation with a coupled two-phase CFD-DEM model that overcomes the shortcomings of previous models by explicitly modeling particle-particle and particle-fluid interactions at the particle scale. We constrain our model against particle trajectories taken from high speed video of initiation at the Titan Wind Tunnel at NASA Ames. Results give us insight into the probability that saltation will be initiated, given stochastic variations in bed properties and wind velocity.

OpenFOAM Modeling of Particle Heating and Acceleration in Cold Spraying

NASA Astrophysics Data System (ADS)

Leitz, K.-H.; O'Sullivan, M.; Plankensteiner, A.; Kestler, H.; Sigl, L. S.

2018-01-01

In cold spraying, a powder material is accelerated and heated in the gas flow of a supersonic nozzle to velocities and temperatures that are sufficient to obtain cohesion of the particles to a substrate. The deposition efficiency of the particles is significantly determined by their velocity and temperature. Particle velocity correlates with the amount of kinetic energy that is converted to plastic deformation and thermal heating. The initial particle temperature significantly influences the mechanical properties of the particle. Velocity and temperature of the particles have nonlinear dependence on the pressure and temperature of the gas at the nozzle entrance. In this contribution, a simulation model based on the reactingParcelFoam solver of OpenFOAM is presented and applied for an analysis of particle velocity and temperature in the cold spray nozzle. The model combines a compressible description of the gas flow in the nozzle with a Lagrangian particle tracking. The predictions of the simulation model are verified based on an analytical description of the gas flow, the particle acceleration and heating in the nozzle. Based on experimental data, the drag model according to Plessis and Masliyah is identified to be best suited for OpenFOAM modeling particle heating and acceleration in cold spraying.

Toward a descriptive model of solar particles in the heliosphere

NASA Technical Reports Server (NTRS)

Shea, M. A.; Smart, D. F.; Adams, James H., Jr.; Chenette, D.; Feynman, Joan; Hamilton, Douglas C.; Heckman, G. R.; Konradi, A.; Lee, Martin A.; Nachtwey, D. S.

1988-01-01

During a workshop on the interplanetary charged particle environment held in 1987, a descriptive model of solar particles in the heliosphere was assembled. This model includes the fluence, composition, energy spectra, and spatial and temporal variations of solar particles both within and beyong 1 AU. The ability to predict solar particle fluences was also discussed. Suggestions for specific studies designed to improve the basic model were also made.

State estimation and prediction using clustered particle filters.

PubMed

Lee, Yoonsang; Majda, Andrew J

2016-12-20

Particle filtering is an essential tool to improve uncertain model predictions by incorporating noisy observational data from complex systems including non-Gaussian features. A class of particle filters, clustered particle filters, is introduced for high-dimensional nonlinear systems, which uses relatively few particles compared with the standard particle filter. The clustered particle filter captures non-Gaussian features of the true signal, which are typical in complex nonlinear dynamical systems such as geophysical systems. The method is also robust in the difficult regime of high-quality sparse and infrequent observations. The key features of the clustered particle filtering are coarse-grained localization through the clustering of the state variables and particle adjustment to stabilize the method; each observation affects only neighbor state variables through clustering and particles are adjusted to prevent particle collapse due to high-quality observations. The clustered particle filter is tested for the 40-dimensional Lorenz 96 model with several dynamical regimes including strongly non-Gaussian statistics. The clustered particle filter shows robust skill in both achieving accurate filter results and capturing non-Gaussian statistics of the true signal. It is further extended to multiscale data assimilation, which provides the large-scale estimation by combining a cheap reduced-order forecast model and mixed observations of the large- and small-scale variables. This approach enables the use of a larger number of particles due to the computational savings in the forecast model. The multiscale clustered particle filter is tested for one-dimensional dispersive wave turbulence using a forecast model with model errors.

State estimation and prediction using clustered particle filters

PubMed Central

Lee, Yoonsang; Majda, Andrew J.

2016-01-01

Particle filtering is an essential tool to improve uncertain model predictions by incorporating noisy observational data from complex systems including non-Gaussian features. A class of particle filters, clustered particle filters, is introduced for high-dimensional nonlinear systems, which uses relatively few particles compared with the standard particle filter. The clustered particle filter captures non-Gaussian features of the true signal, which are typical in complex nonlinear dynamical systems such as geophysical systems. The method is also robust in the difficult regime of high-quality sparse and infrequent observations. The key features of the clustered particle filtering are coarse-grained localization through the clustering of the state variables and particle adjustment to stabilize the method; each observation affects only neighbor state variables through clustering and particles are adjusted to prevent particle collapse due to high-quality observations. The clustered particle filter is tested for the 40-dimensional Lorenz 96 model with several dynamical regimes including strongly non-Gaussian statistics. The clustered particle filter shows robust skill in both achieving accurate filter results and capturing non-Gaussian statistics of the true signal. It is further extended to multiscale data assimilation, which provides the large-scale estimation by combining a cheap reduced-order forecast model and mixed observations of the large- and small-scale variables. This approach enables the use of a larger number of particles due to the computational savings in the forecast model. The multiscale clustered particle filter is tested for one-dimensional dispersive wave turbulence using a forecast model with model errors. PMID:27930332

Particle dispersion in homogeneous turbulence using the one-dimensional turbulence model

DOE PAGES

Sun, Guangyuan; Lignell, David O.; Hewson, John C.; ...

2014-10-09

Lagrangian particle dispersion is studied using the one-dimensional turbulence (ODT) model in homogeneous decaying turbulence configurations. The ODT model has been widely and successfully applied to a number of reacting and nonreacting flow configurations, but only limited application has been made to multiphase flows. We present a version of the particle implementation and interaction with the stochastic and instantaneous ODT eddy events. The model is characterized by comparison to experimental data of particle dispersion for a range of intrinsic particle time scales and body forces. Particle dispersion, velocity, and integral time scale results are presented. Moreover, the particle implementation introducesmore » a single model parameter β p , and sensitivity to this parameter and behavior of the model are discussed. Good agreement is found with experimental data and the ODT model is able to capture the particle inertial and trajectory crossing effects. Our results serve as a validation case of the multiphase implementations of ODT for extensions to other flow configurations.« less

An incompressible two-dimensional multiphase particle-in-cell model for dense particle flows

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

Snider, D.M.; O`Rourke, P.J.; Andrews, M.J.

1997-06-01

A two-dimensional, incompressible, multiphase particle-in-cell (MP-PIC) method is presented for dense particle flows. The numerical technique solves the governing equations of the fluid phase using a continuum model and those of the particle phase using a Lagrangian model. Difficulties associated with calculating interparticle interactions for dense particle flows with volume fractions above 5% have been eliminated by mapping particle properties to a Eulerian grid and then mapping back computed stress tensors to particle positions. This approach utilizes the best of Eulerian/Eulerian continuum models and Eulerian/Lagrangian discrete models. The solution scheme allows for distributions of types, sizes, and density of particles,more » with no numerical diffusion from the Lagrangian particle calculations. The computational method is implicit with respect to pressure, velocity, and volume fraction in the continuum solution thus avoiding courant limits on computational time advancement. MP-PIC simulations are compared with one-dimensional problems that have analytical solutions and with two-dimensional problems for which there are experimental data.« less

Assessment of Different Discrete Particle Methods Ability To Predict Gas-Particle Flow in a Small-Scale Fluidized Bed

DOE PAGES

Lu, Liqiang; Gopalan, Balaji; Benyahia, Sofiane

2017-06-21

Several discrete particle methods exist in the open literature to simulate fluidized bed systems, such as discrete element method (DEM), time driven hard sphere (TDHS), coarse-grained particle method (CGPM), coarse grained hard sphere (CGHS), and multi-phase particle-in-cell (MP-PIC). These different approaches usually solve the fluid phase in a Eulerian fixed frame of reference and the particle phase using the Lagrangian method. The first difference between these models lies in tracking either real particles or lumped parcels. The second difference is in the treatment of particle-particle interactions: by calculating collision forces (DEM and CGPM), using momentum conservation laws (TDHS and CGHS),more » or based on particle stress model (MP-PIC). These major model differences lead to a wide range of results accuracy and computation speed. However, these models have never been compared directly using the same experimental dataset. In this research, a small-scale fluidized bed is simulated with these methods using the same open-source code MFIX. The results indicate that modeling the particle-particle collision by TDHS increases the computation speed while maintaining good accuracy. Also, lumping few particles in a parcel increases the computation speed with little loss in accuracy. However, modeling particle-particle interactions with solids stress leads to a big loss in accuracy with a little increase in computation speed. The MP-PIC method predicts an unphysical particle-particle overlap, which results in incorrect voidage distribution and incorrect overall bed hydrodynamics. Based on this study, we recommend using the CGHS method for fluidized bed simulations due to its computational speed that rivals that of MPPIC while maintaining a much better accuracy.« less

Assessment of Different Discrete Particle Methods Ability To Predict Gas-Particle Flow in a Small-Scale Fluidized Bed

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

Lu, Liqiang; Gopalan, Balaji; Benyahia, Sofiane

Several discrete particle methods exist in the open literature to simulate fluidized bed systems, such as discrete element method (DEM), time driven hard sphere (TDHS), coarse-grained particle method (CGPM), coarse grained hard sphere (CGHS), and multi-phase particle-in-cell (MP-PIC). These different approaches usually solve the fluid phase in a Eulerian fixed frame of reference and the particle phase using the Lagrangian method. The first difference between these models lies in tracking either real particles or lumped parcels. The second difference is in the treatment of particle-particle interactions: by calculating collision forces (DEM and CGPM), using momentum conservation laws (TDHS and CGHS),more » or based on particle stress model (MP-PIC). These major model differences lead to a wide range of results accuracy and computation speed. However, these models have never been compared directly using the same experimental dataset. In this research, a small-scale fluidized bed is simulated with these methods using the same open-source code MFIX. The results indicate that modeling the particle-particle collision by TDHS increases the computation speed while maintaining good accuracy. Also, lumping few particles in a parcel increases the computation speed with little loss in accuracy. However, modeling particle-particle interactions with solids stress leads to a big loss in accuracy with a little increase in computation speed. The MP-PIC method predicts an unphysical particle-particle overlap, which results in incorrect voidage distribution and incorrect overall bed hydrodynamics. Based on this study, we recommend using the CGHS method for fluidized bed simulations due to its computational speed that rivals that of MPPIC while maintaining a much better accuracy.« less

Modeling the effects of small turbulent scales on the drag force for particles below and above the Kolmogorov scale

NASA Astrophysics Data System (ADS)

Gorokhovski, Mikhael; Zamansky, Rémi

2018-03-01

Consistently with observations from recent experiments and DNS, we focus on the effects of strong velocity increments at small spatial scales for the simulation of the drag force on particles in high Reynolds number flows. In this paper, we decompose the instantaneous particle acceleration in its systematic and residual parts. The first part is given by the steady-drag force obtained from the large-scale energy-containing motions, explicitly resolved by the simulation, while the second denotes the random contribution due to small unresolved turbulent scales. This is in contrast with standard drag models in which the turbulent microstructures advected by the large-scale eddies are deemed to be filtered by the particle inertia. In our paper, the residual term is introduced as the particle acceleration conditionally averaged on the instantaneous dissipation rate along the particle path. The latter is modeled from a log-normal stochastic process with locally defined parameters obtained from the resolved field. The residual term is supplemented by an orientation model which is given by a random walk on the unit sphere. We propose specific models for particles with diameter smaller and larger size than the Kolmogorov scale. In the case of the small particles, the model is assessed by comparison with direct numerical simulation (DNS). Results showed that by introducing this modeling, the particle acceleration statistics from DNS is predicted fairly well, in contrast with the standard LES approach. For the particles bigger than the Kolmogorov scale, we propose a fluctuating particle response time, based on an eddy viscosity estimated at the particle scale. This model gives stretched tails of the particle acceleration distribution and dependence of its variance consistent with experiments.

The statistical average of optical properties for alumina particle cluster in aircraft plume

NASA Astrophysics Data System (ADS)

Li, Jingying; Bai, Lu; Wu, Zhensen; Guo, Lixin

2018-04-01

We establish a model for lognormal distribution of monomer radius and number of alumina particle clusters in plume. According to the Multi-Sphere T Matrix (MSTM) theory, we provide a method for finding the statistical average of optical properties for alumina particle clusters in plume, analyze the effect of different distributions and different detection wavelengths on the statistical average of optical properties for alumina particle cluster, and compare the statistical average optical properties under the alumina particle cluster model established in this study and those under three simplified alumina particle models. The calculation results show that the monomer number of alumina particle cluster and its size distribution have a considerable effect on its statistical average optical properties. The statistical average of optical properties for alumina particle cluster at common detection wavelengths exhibit obvious differences, whose differences have a great effect on modeling IR and UV radiation properties of plume. Compared with the three simplified models, the alumina particle cluster model herein features both higher extinction and scattering efficiencies. Therefore, we may find that an accurate description of the scattering properties of alumina particles in aircraft plume is of great significance in the study of plume radiation properties.

ISD3: a particokinetic model for predicting the combined effects of particle sedimentation, diffusion and dissolution on cellular dosimetry for in vitro systems.

PubMed

Thomas, Dennis G; Smith, Jordan N; Thrall, Brian D; Baer, Donald R; Jolley, Hadley; Munusamy, Prabhakaran; Kodali, Vamsi; Demokritou, Philip; Cohen, Joel; Teeguarden, Justin G

2018-01-25

The development of particokinetic models describing the delivery of insoluble or poorly soluble nanoparticles to cells in liquid cell culture systems has improved the basis for dose-response analysis, hazard ranking from high-throughput systems, and now allows for translation of exposures across in vitro and in vivo test systems. Complimentary particokinetic models that address processes controlling delivery of both particles and released ions to cells, and the influence of particle size changes from dissolution on particle delivery for cell-culture systems would help advance our understanding of the role of particles and ion dosimetry on cellular toxicology. We developed ISD3, an extension of our previously published model for insoluble particles, by deriving a specific formulation of the Population Balance Equation for soluble particles. ISD3 describes the time, concentration and particle size dependent dissolution of particles, their delivery to cells, and the delivery and uptake of ions to cells in in vitro liquid test systems. We applied the model to calculate the particle and ion dosimetry of nanosilver and silver ions in vitro after calibration of two empirical models, one for particle dissolution and one for ion uptake. Total media ion concentration, particle concentration and total cell-associated silver time-courses were well described by the model, across 2 concentrations of 20 and 110 nm particles. ISD3 was calibrated to dissolution data for 20 nm particles as a function of serum protein concentration, but successfully described the media and cell dosimetry time-course for both particles at all concentrations and time points. We also report the finding that protein content in media affects the initial rate of dissolution and the resulting near-steady state ion concentration in solution for the systems we have studied. By combining experiments and modeling, we were able to quantify the influence of proteins on silver particle solubility, determine the relative amounts of silver ions and particles in exposed cells, and demonstrate the influence of particle size changes resulting from dissolution on particle delivery to cells in culture. ISD3 is modular and can be adapted to new applications by replacing descriptions of dissolution, sedimentation and boundary conditions with those appropriate for particles other than silver.

Particle force model effects in a shock-driven multiphase instability

NASA Astrophysics Data System (ADS)

Black, W. J.; Denissen, N.; McFarland, J. A.

2018-05-01

This work presents simulations on a shock-driven multiphase instability (SDMI) at an initial particle volume fraction of 1% with the addition of a suite of particle force models applicable in dense flows. These models include pressure-gradient, added-mass, and interparticle force terms in an effort to capture the effects neighboring particles have in non-dilute flow regimes. Two studies are presented here: the first seeks to investigate the individual contributions of the force models, while the second study focuses on examining the effect of these force models on the hydrodynamic evolution of a SDMI with various particle relaxation times (particle sizes). In the force study, it was found that the pressure gradient and interparticle forces have little effect on the instability under the conditions examined, while the added-mass force decreases the vorticity deposition and alters the morphology of the instability. The relaxation-time study likewise showed a decrease in metrics associated with the evolution of the SDMI for all sizes when the particle force models were included. The inclusion of these models showed significant morphological differences in both the particle and carrier species fields, which increased as particle relaxation times increased.

Numerical and analytical simulation of the production process of ZrO2 hollow particles

NASA Astrophysics Data System (ADS)

Safaei, Hadi; Emami, Mohsen Davazdah

2017-12-01

In this paper, the production process of hollow particles from the agglomerated particles is addressed analytically and numerically. The important parameters affecting this process, in particular, the initial porosity level of particles and the plasma gun types are investigated. The analytical model adopts a combination of quasi-steady thermal equilibrium and mechanical balance. In the analytical model, the possibility of a solid core existing in agglomerated particles is examined. In this model, a range of particle diameters (50μm ≤ D_{p0} ≤ 160 μ m) and various initial porosities ( 0.2 ≤ p ≤ 0.7) are considered. The numerical model employs the VOF technique for two-phase compressible flows. The production process of hollow particles from the agglomerated particles is simulated, considering an initial diameter of D_{p0} = 60 μm and initial porosity of p = 0.3, p = 0.5, and p = 0.7. Simulation results of the analytical model indicate that the solid core diameter is independent of the initial porosity, whereas the thickness of the particle shell strongly depends on the initial porosity. In both models, a hollow particle may hardly develop at small initial porosity values ( p < 0.3), while the particle disintegrates at high initial porosity values ( p > 0.6.

On aggregation in CA models in biology

NASA Astrophysics Data System (ADS)

Alber, Mark S.; Kiskowski, Audi

2001-12-01

Aggregation of randomly distributed particles into clusters of aligned particles is modeled using a cellular automata (CA) approach. The CA model accounts for interactions between more than one type of particle, in which pressures for angular alignment with neighbors compete with pressures for grouping by cell type. In the case of only one particle type clusters tend to unite into one big cluster. In the case of several types of particles the dynamics of clusters is more complicated and for specific choices of parameters particle sorting occurs simultaneously with the formation of clusters of aligned particles.

SPARSE—A subgrid particle averaged Reynolds stress equivalent model: testing with a priori closure

PubMed Central

Davis, Sean L.; Sen, Oishik; Udaykumar, H. S.

2017-01-01

A Lagrangian particle cloud model is proposed that accounts for the effects of Reynolds-averaged particle and turbulent stresses and the averaged carrier-phase velocity of the subparticle cloud scale on the averaged motion and velocity of the cloud. The SPARSE (subgrid particle averaged Reynolds stress equivalent) model is based on a combination of a truncated Taylor expansion of a drag correction function and Reynolds averaging. It reduces the required number of computational parcels to trace a cloud of particles in Eulerian–Lagrangian methods for the simulation of particle-laden flow. Closure is performed in an a priori manner using a reference simulation where all particles in the cloud are traced individually with a point-particle model. Comparison of a first-order model and SPARSE with the reference simulation in one dimension shows that both the stress and the averaging of the carrier-phase velocity on the cloud subscale affect the averaged motion of the particle. A three-dimensional isotropic turbulence computation shows that only one computational parcel is sufficient to accurately trace a cloud of tens of thousands of particles. PMID:28413341

SPARSE-A subgrid particle averaged Reynolds stress equivalent model: testing with a priori closure.

PubMed

Davis, Sean L; Jacobs, Gustaaf B; Sen, Oishik; Udaykumar, H S

2017-03-01

A Lagrangian particle cloud model is proposed that accounts for the effects of Reynolds-averaged particle and turbulent stresses and the averaged carrier-phase velocity of the subparticle cloud scale on the averaged motion and velocity of the cloud. The SPARSE (subgrid particle averaged Reynolds stress equivalent) model is based on a combination of a truncated Taylor expansion of a drag correction function and Reynolds averaging. It reduces the required number of computational parcels to trace a cloud of particles in Eulerian-Lagrangian methods for the simulation of particle-laden flow. Closure is performed in an a priori manner using a reference simulation where all particles in the cloud are traced individually with a point-particle model. Comparison of a first-order model and SPARSE with the reference simulation in one dimension shows that both the stress and the averaging of the carrier-phase velocity on the cloud subscale affect the averaged motion of the particle. A three-dimensional isotropic turbulence computation shows that only one computational parcel is sufficient to accurately trace a cloud of tens of thousands of particles.

CFD modeling of particle dispersion and deposition coupled with particle dynamical models in a ventilated room

NASA Astrophysics Data System (ADS)

Xu, Guangping; Wang, Jiasong

2017-10-01

Two dynamical models, the traditional method of moments coupled model (MCM) and Taylor-series expansion method of moments coupled model (TECM) for particle dispersion distribution and gravitation deposition are developed in three-dimensional ventilated environments. The turbulent airflow field is modeled with the renormalization group (RNG) k-ε turbulence model. The particle number concentration distribution in a ventilated room is obtained by solving the population balance equation coupled with the airflow field. The coupled dynamical models are validated using experimental data. A good agreement between the numerical and experimental results can be achieved. Both models have a similar characteristic for the spatial distribution of particle concentration. Relative to the MCM model, the TECM model presents a more close result to the experimental data. The vortex structure existed in the air flow makes a relative large concentration difference at the center region and results in a spatial non-uniformity of concentration field. With larger inlet velocity, the mixing level of particles in the room is more uniform. In general, the new dynamical models coupled with computational fluid dynamics (CFD) in the current study provide a reasonable and accurate method for the temporal and spatial evolution of particles effected by the deposition and dispersion behaviors. In addition, two ventilation modes with different inlet velocities are proceeded to study the effect on the particle evolution. The results show that with the ceiling ventilation mode (CVM), the particles can be better mixed and the concentration level is also higher. On the contrast, with the side ceiling ventilation mode (SVM), the particle concentration has an obvious stratified distribution with a relative lower level and it makes a much better environment condition to the human exposure.

Simulation tools for particle-based reaction-diffusion dynamics in continuous space

PubMed Central

2014-01-01

Particle-based reaction-diffusion algorithms facilitate the modeling of the diffusional motion of individual molecules and the reactions between them in cellular environments. A physically realistic model, depending on the system at hand and the questions asked, would require different levels of modeling detail such as particle diffusion, geometrical confinement, particle volume exclusion or particle-particle interaction potentials. Higher levels of detail usually correspond to increased number of parameters and higher computational cost. Certain systems however, require these investments to be modeled adequately. Here we present a review on the current field of particle-based reaction-diffusion software packages operating on continuous space. Four nested levels of modeling detail are identified that capture incrementing amount of detail. Their applicability to different biological questions is discussed, arching from straight diffusion simulations to sophisticated and expensive models that bridge towards coarse grained molecular dynamics. PMID:25737778

Refinement of the probability density function model for preferential concentration of aerosol particles in isotropic turbulence

NASA Astrophysics Data System (ADS)

Zaichik, Leonid I.; Alipchenkov, Vladimir M.

2007-11-01

The purposes of the paper are threefold: (i) to refine the statistical model of preferential particle concentration in isotropic turbulence that was previously proposed by Zaichik and Alipchenkov [Phys. Fluids 15, 1776 (2003)], (ii) to investigate the effect of clustering of low-inertia particles using the refined model, and (iii) to advance a simple model for predicting the collision rate of aerosol particles. The model developed is based on a kinetic equation for the two-point probability density function of the relative velocity distribution of particle pairs. Improvements in predicting the preferential concentration of low-inertia particles are attained due to refining the description of the turbulent velocity field of the carrier fluid by including a difference between the time scales of the of strain and rotation rate correlations. The refined model results in a better agreement with direct numerical simulations for aerosol particles.

Microscale simulations of shock interaction with large assembly of particles for developing point-particle models

NASA Astrophysics Data System (ADS)

Thakur, Siddharth; Neal, Chris; Mehta, Yash; Sridharan, Prasanth; Jackson, Thomas; Balachandar, S.

2017-01-01

Micrsoscale simulations are being conducted for developing point-particle and other related models that are needed for the mesoscale and macroscale simulations of explosive dispersal of particles. These particle models are required to compute (a) instantaneous aerodynamic force on the particle and (b) instantaneous net heat transfer between the particle and the surrounding. A strategy for a sequence of microscale simulations has been devised that allows systematic development of the hybrid surrogate models that are applicable at conditions representative of the explosive dispersal application. The ongoing microscale simulations seek to examine particle force dependence on: (a) Mach number, (b) Reynolds number, and (c) volume fraction (different particle arrangements such as cubic, face-centered cubic (FCC), body-centered cubic (BCC) and random). Future plans include investigation of sequences of fully-resolved microscale simulations consisting of an array of particles subjected to more realistic time-dependent flows that progressively better approximate the actual problem of explosive dispersal. Additionally, effects of particle shape, size, and number in simulation as well as the transient particle deformation dependence on various parameters including: (a) particle material, (b) medium material, (c) multiple particles, (d) incoming shock pressure and speed, (e) medium to particle impedance ratio, (f) particle shape and orientation to shock, etc. are being investigated.

Review Article: Advances in modeling of bed particle entrainment sheared by turbulent flow

NASA Astrophysics Data System (ADS)

Dey, Subhasish; Ali, Sk Zeeshan

2018-06-01

Bed particle entrainment by turbulent wall-shear flow is a key topic of interest in hydrodynamics because it plays a major role to govern the planetary morphodynamics. In this paper, the state-of-the-art review of the essential mechanisms governing the bed particle entrainment by turbulent wall-shear flow and their mathematical modeling is presented. The paper starts with the appraisal of the earlier multifaceted ideas in modeling the particle entrainment highlighting the rolling, sliding, and lifting modes of entrainment. Then, various modeling approaches of bed particle entrainment, such as deterministic, stochastic, and spatiotemporal approaches, are critically analyzed. The modeling criteria of particle entrainment are distinguished for hydraulically smooth, transitional, and rough flow regimes. In this context, the responses of particle size, particle exposure, and packing condition to the near-bed turbulent flow that shears the particles to entrain are discussed. From the modern experimental outcomes, the conceptual mechanism of particle entrainment from the viewpoint of near-bed turbulent coherent structures is delineated. As the latest advancement of the subject, the paper sheds light on the origin of the primitive empirical formulations of bed particle entrainment deriving the scaling laws of threshold flow velocity of bed particle motion from the perspective of the phenomenological theory of turbulence. Besides, a model framework that provides a new look on the bed particle entrainment phenomenon stemming from the stochastic-cum-spatiotemporal approach is introduced. Finally, the future scope of research is articulated with open questions.

Development and Demonstration of a Computational Tool for the Analysis of Particle Vitiation Effects in Hypersonic Propulsion Test Facilities

NASA Technical Reports Server (NTRS)

Perkins, Hugh Douglas

2010-01-01

In order to improve the understanding of particle vitiation effects in hypersonic propulsion test facilities, a quasi-one dimensional numerical tool was developed to efficiently model reacting particle-gas flows over a wide range of conditions. Features of this code include gas-phase finite-rate kinetics, a global porous-particle combustion model, mass, momentum and energy interactions between phases, and subsonic and supersonic particle drag and heat transfer models. The basic capabilities of this tool were validated against available data or other validated codes. To demonstrate the capabilities of the code a series of computations were performed for a model hypersonic propulsion test facility and scramjet. Parameters studied were simulated flight Mach number, particle size, particle mass fraction and particle material.

ISD3: a particokinetic model for predicting the combined effects of particle sedimentation, diffusion and dissolution on cellular dosimetry for in vitro systems

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

Thomas, Dennis G.; Smith, Jordan N.; Thrall, Brian D.

The development of particokinetic models describing the delivery of insoluble or poorly soluble nanoparticles to cells in liquid cell culture systems has improved the basis for dose-response analysis, hazard ranking from high-throughput systems, and now allows for translation of exposures across in vitro and in vivo test systems. Complimentary particokinetic models that address processes controlling delivery of both particles and released ions to cells, and the influence of particle size changes from dissolution on particle delivery for cell-culture systems would help advance our understanding of the role of particles ion dosimetry on cellular toxicology. We developed ISD3, an extension ofmore » our previously published model for insoluble particles, by deriving a specific formulation of the Population Balance Equation for soluble particles. ISD3 describes the time, concentration and particle size dependent dissolution of particles, their delivery to cells, and the delivery and uptake of ions to cells in in vitro liquid test systems. The model is modular, and can be adapted by application of any empirical model of dissolution, alternative approaches to calculating sedimentation rates, and cellular uptake or treatment of boundary conditions. We apply the model to calculate the particle and ion dosimetry of nanosilver and silver ions in vitro after calibration of two empirical models, one for particle dissolution and one for ion uptake. The results demonstrate utility and accuracy of the ISD3 framework for dosimetry in these systems. Total media ion concentration, particle concentration and total cell-associated silver time-courses were well described by the model, across 2 concentrations of 20 and 110 nm particles. ISD3 was calibrated to dissolution data for 20 nm particles as a function of serum protein concentration, but successfully described the media and cell dosimetry time-course for both particles at all concentrations and time points. We also report the finding that protein content in media has effects both on the initial rate of dissolution and the resulting near-steady state ion concentration in solution.« less

Hindrance Velocity Model for Phase Segregation in Suspensions of Poly-dispersed Randomly Oriented Spheroids

NASA Astrophysics Data System (ADS)

Faroughi, S. A.; Huber, C.

2015-12-01

Crystal settling and bubbles migration in magmas have significant effects on the physical and chemical evolution of magmas. The rate of phase segregation is controlled by the force balance that governs the migration of particles suspended in the melt. The relative velocity of a single particle or bubble in a quiescent infinite fluid (melt) is well characterized; however, the interplay between particles or bubbles in suspensions and emulsions and its effect on their settling/rising velocity remains poorly quantified. We propose a theoretical model for the hindered velocity of non-Brownian emulsions of nondeformable droplets, and suspensions of spherical solid particles in the creeping flow regime. The model is based on three sets of hydrodynamic corrections: two on the drag coefficient experienced by each particle to account for both return flow and Smoluchowski effects and a correction on the mixture rheology to account for nonlocal interactions between particles. The model is then extended for mono-disperse non-spherical solid particles that are randomly oriented. The non-spherical particles are idealized as spheroids and characterized by their aspect ratio. The poly-disperse nature of natural suspensions is then taken into consideration by introducing an effective volume fraction of particles for each class of mono-disperse particles sizes. Our model is tested against new and published experimental data over a wide range of particle volume fraction and viscosity ratios between the constituents of dispersions. We find an excellent agreement between our model and experiments. We also show two significant applications for our model: (1) We demonstrate that hindered settling can increase mineral residence time by up to an order of magnitude in convecting magma chambers. (2) We provide a model to correct for particle interactions in the conventional hydrometer test to estimate the particle size distribution in soils. Our model offers a greatly improved agreement with the results obtained with direct measurement methods such as laser diffraction.

A theoretical and experimental study of turbulent particle-laden jets

NASA Technical Reports Server (NTRS)

Shuen, J. S.; Solomon, A. S. P.; Zhang, Q. F.; Faeth, G. M.

1983-01-01

Mean and fluctuating velocities of both phases, particle mass fluxes, particle size distributions in turbulent particle-laden jets were measured. The following models are considered: (1) a locally homogeneous flow (LHF) model, where slip between the phases was neglected; (2) a deterministic separated flow (DSF) model, where slip was considered but effects of particle dispersion by turbulence were ignored; and (3) a stochastic separated flow (SSF) model. The SSF model performed reasonably well with no modifications in the prescriptions for eddy properties from its original calibration. A modified k- model, incorporating direct contributions of interphase transport on turbulence properties (turbulence modulation), was developed within the framework of the SSF model.

Viscosity of dilute suspensions of rodlike particles: A numerical simulation method

NASA Astrophysics Data System (ADS)

Yamamoto, Satoru; Matsuoka, Takaaki

1994-02-01

The recently developed simulation method, named as the particle simulation method (PSM), is extended to predict the viscosity of dilute suspensions of rodlike particles. In this method a rodlike particle is modeled by bonded spheres. Each bond has three types of springs for stretching, bending, and twisting deformation. The rod model can therefore deform by changing the bond distance, bond angle, and torsion angle between paired spheres. The rod model can represent a variety of rigidity by modifying the bond parameters related to Young's modulus and the shear modulus of the real particle. The time evolution of each constituent sphere of the rod model is followed by molecular-dynamics-type approach. The intrinsic viscosity of a suspension of rodlike particles is derived from calculating an increased energy dissipation for each sphere of the rod model in a viscous fluid. With and without deformation of the particle, the motion of the rodlike particle was numerically simulated in a three-dimensional simple shear flow at a low particle Reynolds number and without Brownian motion of particles. The intrinsic viscosity of the suspension of rodlike particles was investigated on orientation angle, rotation orbit, deformation, and aspect ratio of the particle. For the rigid rodlike particle, the simulated rotation orbit compared extremely well with theoretical one which was obtained for a rigid ellipsoidal particle by use of Jeffery's equation. The simulated dependence of the intrinsic viscosity on various factors was also identical with that of theories for suspensions of rigid rodlike particles. For the flexible rodlike particle, the rotation orbit could be obtained by the particle simulation method and it was also cleared that the intrinsic viscosity decreased as occurring of recoverable deformation of the rodlike particle induced by flow.

Merging for Particle-Mesh Complex Particle Kinetic Modeling of the Multiple Plasma Beams

NASA Technical Reports Server (NTRS)

Lipatov, Alexander S.

2011-01-01

We suggest a merging procedure for the Particle-Mesh Complex Particle Kinetic (PMCPK) method in case of inter-penetrating flow (multiple plasma beams). We examine the standard particle-in-cell (PIC) and the PMCPK methods in the case of particle acceleration by shock surfing for a wide range of the control numerical parameters. The plasma dynamics is described by a hybrid (particle-ion-fluid-electron) model. Note that one may need a mesh if modeling with the computation of an electromagnetic field. Our calculations use specified, time-independent electromagnetic fields for the shock, rather than self-consistently generated fields. While a particle-mesh method is a well-verified approach, the CPK method seems to be a good approach for multiscale modeling that includes multiple regions with various particle/fluid plasma behavior. However, the CPK method is still in need of a verification for studying the basic plasma phenomena: particle heating and acceleration by collisionless shocks, magnetic field reconnection, beam dynamics, etc.

Optical depth in particle-laden turbulent flows

NASA Astrophysics Data System (ADS)

Frankel, A.; Iaccarino, G.; Mani, A.

2017-11-01

Turbulent clustering of particles causes an increase in the radiation transmission through gas-particle mixtures. Attempts to capture the ensemble-averaged transmission lead to a closure problem called the turbulence-radiation interaction. A simple closure model based on the particle radial distribution function is proposed to capture the effect of turbulent fluctuations in the concentration on radiation intensity. The model is validated against a set of particle-resolved ray tracing experiments through particle fields from direct numerical simulations of particle-laden turbulence. The form of the closure model is generalizable to arbitrary stochastic media with known two-point correlation functions.

A collision scheme for hybrid fluid-particle simulation of plasmas

NASA Astrophysics Data System (ADS)

Nguyen, Christine; Lim, Chul-Hyun; Verboncoeur, John

2006-10-01

Desorption phenomena at the wall of a tokamak can lead to the introduction of impurities at the edge of a thermonuclear plasma. In particular, the use of carbon as a constituent of the tokamak wall, as planned for ITER, requires the study of carbon and hydrocarbon transport in the plasma, including understanding of collisional interaction with the plasma. These collisions can result in new hydrocarbons, hydrogen, secondary electrons and so on. Computational modeling is a primary tool for studying these phenomena. XOOPIC [1] and OOPD1 are widely used computer modeling tools for the simulation of plasmas. Both are particle type codes. Particle simulation gives more kinetic information than fluid simulation, but more computation time is required. In order to reduce this disadvantage, hybrid simulation has been developed, and applied to the modeling of collisions. Present particle simulation tools such as XOOPIC and OODP1 employ a Monte Carlo model for the collisions between particle species and a neutral background gas defined by its temperature and pressure. In fluid-particle hybrid plasma models, collisions include combinations of particle and fluid interactions categorized by projectile-target pairing: particle-particle, particle-fluid, and fluid-fluid. For verification of this hybrid collision scheme, we compare simulation results to analytic solutions for classical plasma models. [1] Verboncoeur et al. Comput. Phys. Comm. 87, 199 (1995).

TopoDrive and ParticleFlow--Two Computer Models for Simulation and Visualization of Ground-Water Flow and Transport of Fluid Particles in Two Dimensions

USGS Publications Warehouse

Hsieh, Paul A.

2001-01-01

This report serves as a user?s guide for two computer models: TopoDrive and ParticleFlow. These two-dimensional models are designed to simulate two ground-water processes: topography-driven flow and advective transport of fluid particles. To simulate topography-driven flow, the user may specify the shape of the water table, which bounds the top of the vertical flow section. To simulate transport of fluid particles, the model domain is a rectangle with overall flow from left to right. In both cases, the flow is under steady state, and the distribution of hydraulic conductivity may be specified by the user. The models compute hydraulic head, ground-water flow paths, and the movement of fluid particles. An interactive visual interface enables the user to easily and quickly explore model behavior, and thereby better understand ground-water flow processes. In this regard, TopoDrive and ParticleFlow are not intended to be comprehensive modeling tools, but are designed for modeling at the exploratory or conceptual level, for visual demonstration, and for educational purposes.

Local lubrication model for spherical particles within incompressible Navier-Stokes flows.

PubMed

Lambert, B; Weynans, L; Bergmann, M

2018-03-01

The lubrication forces are short-range hydrodynamic interactions essential to describe suspension of the particles. Usually, they are underestimated in direct numerical simulations of particle-laden flows. In this paper, we propose a lubrication model for a coupled volume penalization method and discrete element method solver that estimates the unresolved hydrodynamic forces and torques in an incompressible Navier-Stokes flow. Corrections are made locally on the surface of the interacting particles without any assumption on the global particle shape. The numerical model has been validated against experimental data and performs as well as existing numerical models that are limited to spherical particles.

Vision system and three-dimensional modeling techniques for quantification of the morphology of irregular particles

NASA Astrophysics Data System (ADS)

Smith, Lyndon N.; Smith, Melvyn L.

2000-10-01

Particulate materials undergo processing in many industries, and therefore there are significant commercial motivators for attaining improvements in the flow and packing behavior of powders. This can be achieved by modeling the effects of particle size, friction, and most importantly, particle shape or morphology. The method presented here for simulating powders employs a random number generator to construct a model of a random particle by combining a sphere with a number of smaller spheres. The resulting 3D model particle has a nodular type of morphology, which is similar to that exhibited by the atomized powders that are used in the bulk of powder metallurgy (PM) manufacture. The irregularity of the model particles is dependent upon vision system data gathered from microscopic analysis of real powder particles. A methodology is proposed whereby randomly generated model particles of various sized and irregularities can be combined in a random packing simulation. The proposed Monte Carlo technique would allow incorporation of the effects of gravity, wall friction, and inter-particle friction. The improvements in simulation realism that this method is expected to provide would prove useful for controlling powder production, and for predicting die fill behavior during the production of PM parts.

Modeling and simulation of viscoelastic biological particles' 3D manipulation using atomic force microscopy

NASA Astrophysics Data System (ADS)

Korayem, M. H.; Habibi Sooha, Y.; Rastegar, Z.

2018-05-01

Manipulation of the biological particles by atomic force microscopy is used to transfer these particles inside body's cells, diagnosis and destruction of the cancer cells and drug delivery to damaged cells. According to the impossibility of simultaneous observation of this process, the importance of modeling and simulation can be realized. The contact of the tip with biological particle is important during manipulation, therefore, the first step of the modeling is choosing appropriate contact model. Most of the studies about contact between atomic force microscopy and biological particles, consider the biological particle as an elastic material. This is not an appropriate assumption because biological cells are basically soft and this assumption ignores loading history. In this paper, elastic and viscoelastic JKR theories were used in modeling and simulation of the 3D manipulation for three modes of tip-particle sliding, particle-substrate sliding and particle-substrate rolling. Results showed that critical force and time in motion modes (sliding and rolling) for two elastic and viscoelastic states are very close but these magnitudes were lower in the viscoelastic state. Then, three friction models, Coulomb, LuGre and HK, were used for tip-particle sliding mode in the first phase of manipulation to make results closer to reality. In both Coulomb and LuGre models, critical force and time are very close for elastic and viscoelastic states but in general critical force and time prediction of HK model was higher than LuGre and the LuGre model itself had higher prediction than Coulomb.

Dust environment of an airless object: A phase space study with kinetic models

NASA Astrophysics Data System (ADS)

Kallio, E.; Dyadechkin, S.; Fatemi, S.; Holmström, M.; Futaana, Y.; Wurz, P.; Fernandes, V. A.; Álvarez, F.; Heilimo, J.; Jarvinen, R.; Schmidt, W.; Harri, A.-M.; Barabash, S.; Mäkelä, J.; Porjo, N.; Alho, M.

2016-01-01

The study of dust above the lunar surface is important for both science and technology. Dust particles are electrically charged due to impact of the solar radiation and the solar wind plasma and, therefore, they affect the plasma above the lunar surface. Dust is also a health hazard for crewed missions because micron and sub-micron sized dust particles can be toxic and harmful to the human body. Dust also causes malfunctions in mechanical devices and is therefore a risk for spacecraft and instruments on the lunar surface. Properties of dust particles above the lunar surface are not fully known. However, it can be stated that their large surface area to volume ratio due to their irregular shape, broken chemical bonds on the surface of each dust particle, together with the reduced lunar environment cause the dust particles to be chemically very reactive. One critical unknown factor is the electric field and the electric potential near the lunar surface. We have developed a modelling suite, Dusty Plasma Environments: near-surface characterisation and Modelling (DPEM), to study globally and locally dust environments of the Moon and other airless bodies. The DPEM model combines three independent kinetic models: (1) a 3D hybrid model, where ions are modelled as particles and electrons are modelled as a charged neutralising fluid, (2) a 2D electrostatic Particle-in-Cell (PIC) model where both ions and electrons are treated as particles, and (3) a 3D Monte Carlo (MC) model where dust particles are modelled as test particles. The three models are linked to each other unidirectionally; the hybrid model provides upstream plasma parameters to be used as boundary conditions for the PIC model which generates the surface potential for the MC model. We have used the DPEM model to study properties of dust particles injected from the surface of airless objects such as the Moon, the Martian moon Phobos and the asteroid RQ36. We have performed a (v0, m/q)-phase space study where the property of dust particles at different initial velocity (v0) and initial mass per charge (m/q) ratio were analysed. The study especially identifies regions in the phase space where the electric field within a non-quasineutral plasma region above the surface of the object, the Debye layer, becomes important compared with the gravitational force. Properties of the dust particles in the phase space region where the electric field plays an important role are studied by a 3D Monte Carlo model. The current DPEM modelling suite does not include models of how dust particles are initially injected from the surface. Therefore, the presented phase space study cannot give absolute 3D dust density distributions around the analysed airless objects. For that, an additional emission model is necessary, which determines how many dust particles are emitted at various places on the analysed (v0, m/q)-phase space. However, this study identifies phase space regions where the electric field within the Debye layer plays an important role for dust particles. Overall, the initial results indicate that when a realistic dust emission model is available, the unified lunar based DPEM modelling suite is a powerful tool to study globally and locally the dust environments of airless bodies such as planetary moons, Mercury, asteroids and non-active comets far from the Sun.

Effect of particle volume fraction on the settling velocity of volcanic ash particles: insights from joint experimental and numerical simulations

PubMed Central

Del Bello, Elisabetta; Taddeucci, Jacopo; de’ Michieli Vitturi, Mattia; Scarlato, Piergiorgio; Andronico, Daniele; Scollo, Simona; Kueppers, Ulrich; Ricci, Tullio

2017-01-01

Most of the current ash transport and dispersion models neglect particle-fluid (two-way) and particle-fluid plus particle-particle (four-way) reciprocal interactions during particle fallout from volcanic plumes. These interactions, a function of particle concentration in the plume, could play an important role, explaining, for example, discrepancies between observed and modelled ash deposits. Aiming at a more accurate prediction of volcanic ash dispersal and sedimentation, the settling of ash particles at particle volume fractions (ϕp) ranging 10−7-10−3 was performed in laboratory experiments and reproduced by numerical simulations that take into account first the two-way and then the four-way coupling. Results show that the velocity of particles settling together can exceed the velocity of particles settling individually by up to 4 times for ϕp ~ 10−3. Comparisons between experimental and simulation results reveal that, during the sedimentation process, the settling velocity is largely enhanced by particle-fluid interactions but partly hindered by particle-particle interactions with increasing ϕp. Combining the experimental and numerical results, we provide an empirical model allowing correction of the settling velocity of particles of any size, density, and shape, as a function of ϕp. These corrections will impact volcanic plume modelling results as well as remote sensing retrieval techniques for plume parameters. PMID:28045056

Effect of particle volume fraction on the settling velocity of volcanic ash particles: insights from joint experimental and numerical simulations.

PubMed

Del Bello, Elisabetta; Taddeucci, Jacopo; De' Michieli Vitturi, Mattia; Scarlato, Piergiorgio; Andronico, Daniele; Scollo, Simona; Kueppers, Ulrich; Ricci, Tullio

2017-01-03

Most of the current ash transport and dispersion models neglect particle-fluid (two-way) and particle-fluid plus particle-particle (four-way) reciprocal interactions during particle fallout from volcanic plumes. These interactions, a function of particle concentration in the plume, could play an important role, explaining, for example, discrepancies between observed and modelled ash deposits. Aiming at a more accurate prediction of volcanic ash dispersal and sedimentation, the settling of ash particles at particle volume fractions (ϕ p ) ranging 10 -7 -10 -3 was performed in laboratory experiments and reproduced by numerical simulations that take into account first the two-way and then the four-way coupling. Results show that the velocity of particles settling together can exceed the velocity of particles settling individually by up to 4 times for ϕ p  ~ 10 -3 . Comparisons between experimental and simulation results reveal that, during the sedimentation process, the settling velocity is largely enhanced by particle-fluid interactions but partly hindered by particle-particle interactions with increasing ϕ p . Combining the experimental and numerical results, we provide an empirical model allowing correction of the settling velocity of particles of any size, density, and shape, as a function of ϕ p . These corrections will impact volcanic plume modelling results as well as remote sensing retrieval techniques for plume parameters.

The rheology of three-phase suspensions at low bubble capillary number

PubMed Central

Truby, J. M.; Mueller, S. P.; Llewellin, E. W.; Mader, H. M.

2015-01-01

We develop a model for the rheology of a three-phase suspension of bubbles and particles in a Newtonian liquid undergoing steady flow. We adopt an ‘effective-medium’ approach in which the bubbly liquid is treated as a continuous medium which suspends the particles. The resulting three-phase model combines separate two-phase models for bubble suspension rheology and particle suspension rheology, which are taken from the literature. The model is validated against new experimental data for three-phase suspensions of bubbles and spherical particles, collected in the low bubble capillary number regime. Good agreement is found across the experimental range of particle volume fraction (0≤ϕp≲0.5) and bubble volume fraction (0≤ϕb≲0.3). Consistent with model predictions, experimental results demonstrate that adding bubbles to a dilute particle suspension at low capillarity increases its viscosity, while adding bubbles to a concentrated particle suspension decreases its viscosity. The model accounts for particle anisometry and is easily extended to account for variable capillarity, but has not been experimentally validated for these cases. PMID:25568617

Modified parton branching model for multi-particle production in hadronic collisions: Application to SUSY particle branching

NASA Astrophysics Data System (ADS)

Yuanyuan, Zhang

The stochastic branching model of multi-particle productions in high energy collision has theoretical basis in perturbative QCD, and also successfully describes the experimental data for a wide energy range. However, over the years, little attention has been put on the branching model for supersymmetric (SUSY) particles. In this thesis, a stochastic branching model has been built to describe the pure supersymmetric particle jets evolution. This model is a modified two-phase stochastic branching process, or more precisely a two phase Simple Birth Process plus Poisson Process. The general case that the jets contain both ordinary particle jets and supersymmetric particle jets has also been investigated. We get the multiplicity distribution of the general case, which contains a Hypergeometric function in its expression. We apply this new multiplicity distribution to the current experimental data of pp collision at center of mass energy √s = 0.9, 2.36, 7 TeV. The fitting shows the supersymmetric particles haven't participate branching at current collision energy.

Numerical modeling of particle generation from ozone reactions with human-worn clothing in indoor environments

NASA Astrophysics Data System (ADS)

Rai, Aakash C.; Lin, Chao-Hsin; Chen, Qingyan

2015-02-01

Ozone-terpene reactions are important sources of indoor ultrafine particles (UFPs), a potential health hazard for human beings. Humans themselves act as possible sites for ozone-initiated particle generation through reactions with squalene (a terpene) that is present in their skin, hair, and clothing. This investigation developed a numerical model to probe particle generation from ozone reactions with clothing worn by humans. The model was based on particle generation measured in an environmental chamber as well as physical formulations of particle nucleation, condensational growth, and deposition. In five out of the six test cases, the model was able to predict particle size distributions reasonably well. The failure in the remaining case demonstrated the fundamental limitations of nucleation models. The model that was developed was used to predict particle generation under various building and airliner cabin conditions. These predictions indicate that ozone reactions with human-worn clothing could be an important source of UFPs in densely occupied classrooms and airliner cabins. Those reactions could account for about 40% of the total UFPs measured on a Boeing 737-700 flight. The model predictions at this stage are indicative and should be improved further.

REBOUND-ing Off Asteroids: An N-body Particle Model for Ejecta Dynamics on Small Bodies

NASA Astrophysics Data System (ADS)

Larson, Jennifer; Sarid, Gal

2017-10-01

Here we describe our numerical approach to model the evolution of ejecta clouds. Modeling with an N-body particle method enables us to study the micro-dynamics while varying the particle size distribution. A hydrodynamic approach loses many of the fine particle-particle interactions included in the N-body particle approach (Artemieva 2008).We use REBOUND, an N-body integration package (Rein et al. 2012) developed to model various dynamical systems (planetary orbits, ring systems, etc.) with high resolution calculations at a lower performance cost than other N-body integrators (Rein & Tamayo 2017). It offers both symplectic (WHFast) and non-symplectic (IAS15) methods (Rein & Spiegel 2014, Rein & Tamayo 2015). We primarily use the IAS15 integrator due to its robustness and accuracy with short interaction distances and non-conservative forces. We implemented a wrapper (developed in Python) to handle changes in time step and integrator at different stages of ejecta particle evolution.To set up the system, each particle is given a velocity away from the target body’s surface at a given angle within a defined ejecta cone. We study the ejecta cloud evolution beginning immediately after an impact rather than the actual impact itself. This model considers effects such as varying particle size distribution, radiation pressure, perturbations from a binary component, particle-particle collisions and non-axisymmetric gravity of the target body. Restrictions on the boundaries of the target body’s surface define the physical shape and help count the number of particles that land on the target body. Later, we will build the central body from individual particles to allow for a wider variety of target body shapes and topographies.With our particle modeling approach, individual particle trajectories are tracked and predicted on short, medium and long timescales. Our approach will be applied to modeling of the ejecta cloud produced during the Double Asteroid Redirection Test (DART) impact (Cheng et al. 2016, Schwartz et al. 2016). We will present some preliminary results of our applied model and possible applications to other asteroid impact events and Centaur ring formation mechanisms.

Atmospheric fate and transport of fine volcanic ash: Does particle shape matter?

NASA Astrophysics Data System (ADS)

White, C. M.; Allard, M. P.; Klewicki, J.; Proussevitch, A. A.; Mulukutla, G.; Genareau, K.; Sahagian, D. L.

2013-12-01

Volcanic ash presents hazards to infrastructure, agriculture, and human and animal health. In particular, given the economic importance of intercontinental aviation, understanding how long ash is suspended in the atmosphere, and how far it is transported has taken on greater importance. Airborne ash abrades the exteriors of aircraft, enters modern jet engines and melts while coating interior engine parts causing damage and potential failure. The time fine ash stays in the atmosphere depends on its terminal velocity. Existing models of ash terminal velocities are based on smooth, quasi-spherical particles characterized by Stokes velocity. Ash particles, however, violate the various assumptions upon which Stokes flow and associated models are based. Ash particles are non-spherical and can have complex surface and internal structure. This suggests that particle shape may be one reason that models fail to accurately predict removal rates of fine particles from volcanic ash clouds. The present research seeks to better parameterize predictive models for ash particle terminal velocities, diffusivity, and dispersion in the atmospheric boundary layer. The fundamental hypothesis being tested is that particle shape irreducibly impacts the fate and transport properties of fine volcanic ash. Pilot studies, incorporating modeling and experiments, are being conducted to test this hypothesis. Specifically, a statistical model has been developed that can account for actual volcanic ash size distributions, complex ash particle geometry, and geometry variability. Experimental results are used to systematically validate and improve the model. The experiments are being conducted at the Flow Physics Facility (FPF) at UNH. Terminal velocities and dispersion properties of fine ash are characterized using still air drop experiments in an unconstrained open space using a homogenized mix of source particles. Dispersion and sedimentation dynamics are quantified using particle image velocimetry (PIV). Scanning Electron Microscopy (SEM) of ash particles collected in localized deposition areas is used to correlate the PIV results to particle shape. In addition, controlled wind tunnel experiments are used to determine particle fate and transport in a turbulent boundary layer for a mixed particle population. Collectively, these studies will provide an improved understanding of the effects of particle shape on sedimentation and dispersion, and foundational data for the predictive modeling of the fate and transport of fine ash particles suspended in the atmosphere.

A versatile model for soft patchy particles with various patch arrangements.

PubMed

Li, Zhan-Wei; Zhu, You-Liang; Lu, Zhong-Yuan; Sun, Zhao-Yan

2016-01-21

We propose a simple and general mesoscale soft patchy particle model, which can felicitously describe the deformable and surface-anisotropic characteristics of soft patchy particles. This model can be used in dynamics simulations to investigate the aggregation behavior and mechanism of various types of soft patchy particles with tunable number, size, direction, and geometrical arrangement of the patches. To improve the computational efficiency of this mesoscale model in dynamics simulations, we give the simulation algorithm that fits the compute unified device architecture (CUDA) framework of NVIDIA graphics processing units (GPUs). The validation of the model and the performance of the simulations using GPUs are demonstrated by simulating several benchmark systems of soft patchy particles with 1 to 4 patches in a regular geometrical arrangement. Because of its simplicity and computational efficiency, the soft patchy particle model will provide a powerful tool to investigate the aggregation behavior of soft patchy particles, such as patchy micelles, patchy microgels, and patchy dendrimers, over larger spatial and temporal scales.

A compressible two-phase model for dispersed particle flows with application from dense to dilute regimes

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

McGrath, Thomas P., E-mail: thomas.p.mcgrath@navy.mil; St Clair, Jeffrey G.; Department of Mechanical and Aerospace Engineering, University of Florida, 231 MAE-A, P.O. Box 116250, Gainesville, Florida 32611

2016-05-07

Multiphase flows are present in many important fields ranging from multiphase explosions to chemical processing. An important subset of multiphase flow applications involves dispersed materials, such as particles, droplets, and bubbles. This work presents an Eulerian–Eulerian model for multiphase flows containing dispersed particles surrounded by a continuous media such as air or water. Following a large body of multiphase literature, the driving force for particle acceleration is modeled as a direct function of both the continuous-phase pressure gradient and the gradient of intergranular stress existing within the particle phase. While the application of these two components of driving force ismore » well accepted in much of the literature, other models exist in which the particle-phase pressure gradient itself drives particle motion. The multiphase model treats all phases as compressible and is derived to ensure adherence to the 2nd Law of Thermodynamics. The governing equations are presented and discussed, and a characteristic analysis shows the model to be hyperbolic, with a degeneracy in the case that the intergranular stress, which is modeled as a configuration pressure, is zero. Finally, results from a two sample problems involving shock-induced particle dispersion are presented. The results agree well with experimental measurements, providing initial confidence in the proposed model.« less

Modeling Particle Acceleration and Transport at a 2-D CME-Driven Shock

NASA Astrophysics Data System (ADS)

Hu, Junxiang; Li, Gang; Ao, Xianzhi; Zank, Gary P.; Verkhoglyadova, Olga

2017-11-01

We extend our earlier Particle Acceleration and Transport in the Heliosphere (PATH) model to study particle acceleration and transport at a coronal mass ejection (CME)-driven shock. We model the propagation of a CME-driven shock in the ecliptic plane using the ZEUS-3D code from 20 solar radii to 2 AU. As in the previous PATH model, the initiation of the CME-driven shock is simplified and modeled as a disturbance at the inner boundary. Different from the earlier PATH model, the disturbance is now longitudinally dependent. Particles are accelerated at the 2-D shock via the diffusive shock acceleration mechanism. The acceleration depends on both the parallel and perpendicular diffusion coefficients κ|| and κ⊥ and is therefore shock-obliquity dependent. Following the procedure used in Li, Shalchi, et al. (k href="#jgra53857-bib-0045"/>), we obtain the particle injection energy, the maximum energy, and the accelerated particle spectra at the shock front. Once accelerated, particles diffuse and convect in the shock complex. The diffusion and convection of these particles are treated using a refined 2-D shell model in an approach similar to Zank et al. (k href="#jgra53857-bib-0089"/>). When particles escape from the shock, they propagate along and across the interplanetary magnetic field. The propagation is modeled using a focused transport equation with the addition of perpendicular diffusion. We solve the transport equation using a backward stochastic differential equation method where adiabatic cooling, focusing, pitch angle scattering, and cross-field diffusion effects are all included. Time intensity profiles and instantaneous particle spectra as well as particle pitch angle distributions are shown for two example CME shocks.

Anomalous diffusion for bed load transport with a physically-based model

NASA Astrophysics Data System (ADS)

Fan, N.; Singh, A.; Foufoula-Georgiou, E.; Wu, B.

2013-12-01

Diffusion of bed load particles shows both normal and anomalous behavior for different spatial-temporal scales. Understanding and quantifying these different types of diffusion is important not only for the development of theoretical models of particle transport but also for practical purposes, e.g., river management. Here we extend a recently proposed physically-based model of particle transport by Fan et al. [2013] to further develop an Episodic Langevin equation (ELE) for individual particle motion which reproduces the episodic movement (start and stop) of sediment particles. Using the proposed ELE we simulate particle movements for a large number of uniform size particles, incorporating different probability distribution functions (PDFs) of particle waiting time. For exponential PDFs of waiting times, particles reveal ballistic motion in short time scales and turn to normal diffusion at long time scales. The PDF of simulated particle travel distances also shows a change in its shape from exponential to Gamma to Gaussian with a change in timescale implying different diffusion scaling regimes. For power-law PDF (with power - μ) of waiting times, the asymptotic behavior of particles at long time scales reveals both super-diffusion and sub-diffusion, however, only very heavy tailed waiting times (i.e. 1.0 < μ < 1.5) could result in sub-diffusion. We suggest that the contrast between our results and previous studies (for e.g., studies based on fractional advection-diffusion models of thin/heavy tailed particle hops and waiting times) results could be due the assumption in those studies that the hops are achieved instantaneously, but in reality, particles achieve their hops within finite times (as we simulate here) instead of instantaneously, even if the hop times are much shorter than waiting times. In summary, this study stresses on the need to rethink the alternative models to the previous models, such as, fractional advection-diffusion equations, for studying the anomalous diffusion of bed load particles. The implications of these results for modeling sediment transport are discussed.

Particle-Surface Interaction Model and Method of Determining Particle-Surface Interactions

NASA Technical Reports Server (NTRS)

Hughes, David W. (Inventor)

2012-01-01

A method and model of predicting particle-surface interactions with a surface, such as the surface of a spacecraft. The method includes the steps of: determining a trajectory path of a plurality of moving particles; predicting whether any of the moving particles will intersect a surface; predicting whether any of the particles will be captured by the surface and/or; predicting a reflected trajectory and velocity of particles reflected from the surface.

Modelling Solar Energetic Particle Events Using the iPATH Model

NASA Astrophysics Data System (ADS)

Li, G.; Hu, J.; Ao, X.; Zank, G. P.; Verkhoglyadova, O. P.

2016-12-01

Solar Energetic Particles (SEPs) is the No. 1 space weather hazard. Understanding how particles are energized and propagated in these events is of practical concerns to the manned space missions. In particular, both the radial evolution and the longitudinal extent of a gradual solarenergetic particle (SEP) event are central topics for space weather forecasting. In this talk, I discuss the improved Particle Acceleration and Transport in the Heliosphere (iPATH) model. The iPATH model consists of three parts: (1) an updated ZEUS3D V3.5 MHD module that models thebackground solar wind and the initiation of a CME in a 2D domain; (2) an updated shock acceleration module where we investigate particle acceleration at different longitudinal locations along the surface of a CME-driven shock. Accelerated particle spectrum are obtained at the shock under the diffusive shock acceleration mechanism. Shock parameters and particle distributions are recorded and used as inputs for the later part. (3) an updated transport module where we follow the transport of accelerated particles from the shock to any destinations (Earth and/or Mars, e.g.) using a Monte-Carlo method. Both pitch angle scattering due to MHD turbulence and perpendicular diffusion across magnetic field are included. Our iPATH model is therefore intrinsically 2D in nature. The model is capable of generating time intensity profiles and instantaneous particle spectra atvarious locations and can greatly improve our current space weather forecasting capability.

DEM Particle Fracture Model

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

Zhang, Boning; Herbold, Eric B.; Homel, Michael A.

2015-12-01

An adaptive particle fracture model in poly-ellipsoidal Discrete Element Method is developed. The poly-ellipsoidal particle will break into several sub-poly-ellipsoids by Hoek-Brown fracture criterion based on continuum stress and the maximum tensile stress in contacts. Also Weibull theory is introduced to consider the statistics and size effects on particle strength. Finally, high strain-rate split Hopkinson pressure bar experiment of silica sand is simulated using this newly developed model. Comparisons with experiments show that our particle fracture model can capture the mechanical behavior of this experiment very well, both in stress-strain response and particle size redistribution. The effects of density andmore » packings o the samples are also studied in numerical examples.« less

General solution for diffusion-controlled dissolution of spherical particles. 1. Theory.

PubMed

Wang, J; Flanagan, D R

1999-07-01

Three classical particle dissolution rate expressions are commonly used to interpret particle dissolution rate phenomena. Our analysis shows that an assumption used in the derivation of the traditional cube-root law may not be accurate under all conditions for diffusion-controlled particle dissolution. Mathematical analysis shows that the three classical particle dissolution rate expressions are approximate solutions to a general diffusion layer model. The cube-root law is most appropriate when particle size is much larger than the diffusion layer thickness, the two-thirds-root expression applies when the particle size is much smaller than the diffusion layer thickness. The square-root expression is intermediate between these two models. A general solution to the diffusion layer model for monodispersed spherical particles dissolution was derived for sink and nonsink conditions. Constant diffusion layer thickness was assumed in the derivation. Simulated dissolution data showed that the ratio between particle size and diffusion layer thickness (a0/h) is an important factor in controlling the shape of particle dissolution profiles. A new semiempirical general particle dissolution equation is also discussed which encompasses the three classical particle dissolution expressions. The success of the general equation in explaining limitations of traditional particle dissolution expressions demonstrates the usefulness of the general diffusion layer model.

Deposition and fine particle production during dynamic flow in a dry powder inhaler: a CFD approach.

PubMed

Milenkovic, J; Alexopoulos, A H; Kiparissides, C

2014-01-30

In this work the dynamic flow as well as the particle motion and deposition in a commercial dry powder inhaler, DPI (i.e., Turbuhaler) is described using computational fluid dynamics, CFD. The dynamic flow model presented here is an extension of a steady flow model previously described in Milenkovic et al. (2013). The model integrates CFD simulations for dynamic flow, an Eulerian-fluid/Lagrangian-particle description of particle motion as well as a particle/wall interaction model providing the sticking efficiency of particles colliding with the DPI walls. The dynamic flow is imposed by a time varying outlet pressure and the particle injections into the DPI are assumed to occur instantaneously and follow a prescribed particle size distribution, PSD. The total particle deposition and the production of fine particles in the DPI are determined for different peak inspiratory flow rates, PIFR, flow increase rates, FIR, and particle injection times. The simulation results for particle deposition are found to agree well with available experimental data for different values of PIFR and FIR. The predicted values of fine particle fraction are in agreement with available experimental results when the mean size of the injected PSD is taken to depend on the PIFR. Copyright © 2013 Elsevier B.V. All rights reserved.

A multiscale modeling study of particle size effects on the tissue penetration efficacy of drug-delivery nanoparticles.

PubMed

Islam, Mohammad Aminul; Barua, Sutapa; Barua, Dipak

2017-11-25

Particle size is a key parameter for drug-delivery nanoparticle design. It is believed that the size of a nanoparticle may have important effects on its ability to overcome the transport barriers in biological tissues. Nonetheless, such effects remain poorly understood. Using a multiscale model, this work investigates particle size effects on the tissue distribution and penetration efficacy of drug-delivery nanoparticles. We have developed a multiscale spatiotemporal model of nanoparticle transport in biological tissues. The model implements a time-adaptive Brownian Dynamics algorithm that links microscale particle-cell interactions and adhesion dynamics to tissue-scale particle dispersion and penetration. The model accounts for the advection, diffusion, and cellular uptakes of particles. Using the model, we have analyzed how particle size affects the intra-tissue dispersion and penetration of drug delivery nanoparticles. We focused on two published experimental works that investigated particle size effects in in vitro and in vivo tissue conditions. By analyzing experimental data reported in these two studies, we show that particle size effects may appear pronounced in an in vitro cell-free tissue system, such as collagen matrix. In an in vivo tissue system, the effects of particle size could be relatively modest. We provide a detailed analysis on how particle-cell interactions may determine distribution and penetration of nanoparticles in a biological tissue. Our work suggests that the size of a nanoparticle may play a less significant role in its ability to overcome the intra-tissue transport barriers. We show that experiments involving cell-free tissue systems may yield misleading observations of particle size effects due to the absence of advective transport and particle-cell interactions.

Extensive Chemical Modifications in the Primary Protein Structure of IgG1 Subvisible Particles Are Necessary for Breaking Immune Tolerance.

PubMed

Boll, Björn; Bessa, Juliana; Folzer, Emilien; Ríos Quiroz, Anacelia; Schmidt, Roland; Bulau, Patrick; Finkler, Christof; Mahler, Hanns-Christian; Huwyler, Jörg; Iglesias, Antonio; Koulov, Atanas V

2017-04-03

A current concern with the use of therapeutic proteins is the likely presence of aggregates and submicrometer, subvisible, and visible particles. It has been proposed that aggregates and particles may lead to unwanted increases in the immune response with a possible impact on safety or efficacy. The aim of this study was thus to evaluate the ability of subvisible particles of a therapeutic antibody to break immune tolerance in an IgG1 transgenic mouse model and to understand the particle attributes that might play a role in this process. We investigated the immunogenic properties of subvisible particles (unfractionated, mixed populations, and well-defined particle size fractions) using a transgenic mouse model expressing a mini-repertoire of human IgG1 (hIgG1 tg). Immunization with proteinaceous subvisible particles generated by artificial stress conditions demonstrated that only subvisible particles bearing very extensive chemical modifications within the primary amino acid structure could break immune tolerance in the hIgG1 transgenic mouse model. Protein particles exhibiting low levels of chemical modification were not immunogenic in this model.

Injection Efficiency of Low-energy Particles at Oblique Shocks with a Focused Transport Model

NASA Astrophysics Data System (ADS)

Zuo, P.; Zhang, M.; Rassoul, H.

2013-12-01

There is strong evidence that a small portion of thermal and suprathermal particles from hot coronal material or remnants of previous solar energetic particle (SEP) events serve as the source of large SEP events (Desai et al. 2006). To build more powerful SEP models, it is necessary to model the detailed particle injection and acceleration process for source particles especially at lower energies. We present a test particle simulation on the injection and acceleration of low-energy suprathermal particles by Laminar nonrelativistic oblique shocks in the framework of the focused transport theory, which is proved to contain all necessary physics of shock acceleration, but avoid the limitation of diffusive shock acceleration (DSA). The injection efficiency as a function of Mach number, obliquity, injection speed, shock strength, cross-shock potential and the degree of turbulence is calculated. This test particle simulation proves that the focused transport theory is an extension of DSA theory with the capability of predicting the efficiency of particle injection. The results can be applied to modeling the SEP acceleration from source particles.

Predicting the dry deposition of atmospheric aerosol particles onto forests using a size-resolved multi-layer second-order closure model

NASA Astrophysics Data System (ADS)

Huang, C.; Launianen, S.; Gronholm, T.; Katul, G. G.

2013-12-01

Biological aerosol particles are now receiving significant attention given their role in air quality, climate change, and spreading of allergens and other communicable diseases. A major uncertainty in their quantification is associated with complex transport processes governing their generation and removal inside canopies. It has been known for some time now that the commonly used first-order closure to link mean concentration gradients with turbulent fluxes is problematic. The presence of a mean counter-gradient momentum transport in an open trunk space exemplifies such failure. Here, instead of employing K-theory, a size-resolved second-order multilayer model for dry particle deposition is proposed. The starting point of the proposed model is a particle flux budget in which the production, transport, and dissipation terms are modeled. Because these terms require higher-order velocity statistics, this flux budget is coupled with a conventional second-order closure scheme for the flow field within the canopy sub-layer. The failure of conventional K-theory for particle fluxes are explicitly linked to the onset of a mean counter or zero - gradient flow attributed to a significant particle flux transport term. The relative importance of these terms in the particle flux budget and their effects on the foliage particle collection terms for also discussed for each particle size. The proposed model is evaluated against published multi-level measurements of sized-resolved particle fluxes and mean concentration profiles collected within and above a tall Scots pine forest in Hyytiala, Southern Finland. The main findings are that (1) first-order closure schemes may be still plausible for modeling particle deposition velocity, especially in the particle size range smaller than 1 μm when the turbulent particle diffusivity is estimated from higher order flow statistics; (2) the mechanisms leading to the increased trend of particle deposition velocity with increasing friction velocity differ for different particle sizes and different levels (i.e. above and below the canopy); (3) the partitioning of particle deposition onto foliage and forest floor appears insensitive to friction velocity for particles smaller than 100 nm, but decreases with increasing friction velocity for particles large than 100 nm.

The influence of particle shape on dielectric enhancement in metal-insulator composites

NASA Astrophysics Data System (ADS)

Doyle, W. T.; Jacobs, I. S.

1992-04-01

Disordered suspensions of conducting particles exhibit substantial permittivity enhancements beyond the predictions of the Clausius-Mossotti equation and other purely dipolar approximations. The magnitude of the enhancement depends upon the shape of the particles. A recently developed effective cluster model for spherical particles [Phys. Rev. B 42, 9319 (1990)] that treats a disordered suspension as a mixture, or mesosuspension, of isolated spheres and close-packed spherical clusters of arbitrary size is in excellent agreement with experiments on well-stirred suspensions of spheres over the entire accessible range of volume loading. In this paper, the effective cluster model is extended to be applicable to disordered suspensions of arbitrarily shaped conducting particles. Two physical parameters are used to characterize a general suspension: the angular average polarizability of an isolated particle, and the volume loading at closest packing of the suspension. Multipole interactions within the clusters are treated exactly. External particle-shape-dependent interactions between clusters and isolated particles are treated in the dipole approximation in two ways: explicitly, using the Clausius-Mossotti equation, and implicitly, using the Wiener equation. Both versions of the model are used to find the permittivity of a monodisperse suspension of conducting spheroids, for which the model parameters can be determined independently. The two versions are in good agreement when the axial ratio of the particles is not extreme. The Clausius-Mossotti version of the model yields a mesoscopic analogue of the dielectric virial expansion. It is limited to small volume loadings when the particles have an extremely nonspherical shape. The Wiener equation version of the model holds at all volume loadings for particles of arbitrary shape. Comparison of the two versions of the model leads to a simple physical interpretation of Wiener's equation. The models are compared with experiments of Kelly, Stenoien, and Isbell [J. Appl. Phys. 24, 258 (1953)] on aluminum and zinc particles in paraffin, with Nasuhoglu's experiments on iron particles in oil [Commun. Fac. Sci. Univ. Ankara 4, 108 (1952)], and with new X-band and Kα-band permittivity measurements on Ni-Cr alloy particles in a polyurethane binder.

Turbulent particulate transportation during electrostatic precipitation

NASA Astrophysics Data System (ADS)

Choi, Bum Seog

The generation of secondary flows and turbulence by a corona discharge influences particle transport in an electrostatic precipitator (ESP), and is known to play an important role in the particle collection process. However, it is difficult to characterise theoretically and experimentally the ``turbulent'' fluctuations of the gas flow produced by negative tuft corona. Because of this difficulty, only limited studies have been undertaken previously to understand the structure of corona-induced turbulence and its influence on particle transport in ESPs. The present study is aimed at modelling electrohydrodynamic turbulent flows and particle transport, and at establishing an unproved understanding of them. For a multiply interactive coupling of electrostatics, fluid dynamics and particle dynamics, a strongly coupled system of the governing equations has been solved. The present computer model has considered the most important interaction mechanisms including an ionic wind, corona- induced turbulence and the particle space charge effect. Numerical simulations have been performed for the extensive validation of the numerical and physical models. To account for electrically excited turbulence associated with the inhomogeneous and unsteady characteristics of negative corona discharges, a new turbulence model (called the electrostatic turbulence model) has been developed. In this, an additional production or destruction term is included into the turbulent kinetic energy and dissipation rate equations. It employs a gradient type model of the current density and an electrostatic diffusivity concept. The results of the computation show that the electrostatic turbulence model gives much better agreement with the experimental data than the conventional RNG k-ɛ turbulence model when predicting turbulent gas flows and particle distributions in an ESP. Computations of turbulent particulate two-phase flows for both mono-dispersed and poly-dispersed particles have been performed. The effects of coriona-induced turbulence and the particle space charge on particle transport and the collection process have been investigated. The calculated results for the poly-dispersed particulate flow were compared with those of the mono-dispersed particulate flow, and significant differences were demonstrated. It is established that effective particle- particle interaction occurs, due to the influence of the particle space charge, even for dilute gas-particle flows that occur in ESPs.

Transport properties and efficiency of elastically coupled particles in asymmetric periodic potentials

NASA Astrophysics Data System (ADS)

Igarashi, Akito; Tsukamoto, Shinji

2000-02-01

Biological molecular motors drive unidirectional transport and transduce chemical energy to mechanical work. In order to identify this energy conversion which is a common feature of molecular motors, many workers have studied various physical models, which consist of Brownian particles in spatially periodic potentials. Most of the models are, however, based on "single-particle" dynamics and too simple as models for biological motors, especially for actin-myosin motors, which cause muscle contraction. In this paper, particles coupled by elastic strings in an asymmetric periodic potential are considered as a model for the motors. We investigate the dynamics of the model and calculate the efficiency of energy conversion with the use of molecular dynamical method. In particular, we find that the velocity and efficiency of the elastically coupled particles where the natural length of the springs is incommensurable with the period of the periodic potential are larger than those of the corresponding single particle model.

Gyrokinetic modelling of the quasilinear particle flux for plasmas with neutral-beam fuelling

NASA Astrophysics Data System (ADS)

Narita, E.; Honda, M.; Nakata, M.; Yoshida, M.; Takenaga, H.; Hayashi, N.

2018-02-01

A quasilinear particle flux is modelled based on gyrokinetic calculations. The particle flux is estimated by determining factors, namely, coefficients of off-diagonal terms and a particle diffusivity. In this paper, the methodology to estimate the factors is presented using a subset of JT-60U plasmas. First, the coefficients of off-diagonal terms are estimated by linear gyrokinetic calculations. Next, to obtain the particle diffusivity, a semi-empirical approach is taken. Most experimental analyses for particle transport have assumed that turbulent particle fluxes are zero in the core region. On the other hand, even in the stationary state, the plasmas in question have a finite turbulent particle flux due to neutral-beam fuelling. By combining estimates of the experimental turbulent particle flux and the coefficients of off-diagonal terms calculated earlier, the particle diffusivity is obtained. The particle diffusivity should reflect a saturation amplitude of instabilities. The particle diffusivity is investigated in terms of the effects of the linear instability and linear zonal flow response, and it is found that a formula including these effects roughly reproduces the particle diffusivity. The developed framework for prediction of the particle flux is flexible to add terms neglected in the current model. The methodology to estimate the quasilinear particle flux requires so low computational cost that a database consisting of the resultant coefficients of off-diagonal terms and particle diffusivity can be constructed to train a neural network. The development of the methodology is the first step towards a neural-network-based particle transport model for fast prediction of the particle flux.

Coarse-graining to the meso and continuum scales with molecular-dynamics-like models

NASA Astrophysics Data System (ADS)

Plimpton, Steve

Many engineering-scale problems that industry or the national labs try to address with particle-based simulations occur at length and time scales well beyond the most optimistic hopes of traditional coarse-graining methods for molecular dynamics (MD), which typically start at the atomic scale and build upward. However classical MD can be viewed as an engine for simulating particles at literally any length or time scale, depending on the models used for individual particles and their interactions. To illustrate I'll highlight several coarse-grained (CG) materials models, some of which are likely familiar to molecular-scale modelers, but others probably not. These include models for water droplet freezing on surfaces, dissipative particle dynamics (DPD) models of explosives where particles have internal state, CG models of nano or colloidal particles in solution, models for aspherical particles, Peridynamics models for fracture, and models of granular materials at the scale of industrial processing. All of these can be implemented as MD-style models for either soft or hard materials; in fact they are all part of our LAMMPS MD package, added either by our group or contributed by collaborators. Unlike most all-atom MD simulations, CG simulations at these scales often involve highly non-uniform particle densities. So I'll also discuss a load-balancing method we've implemented for these kinds of models, which can improve parallel efficiencies. From the physics point-of-view, these models may be viewed as non-traditional or ad hoc. But because they are MD-style simulations, there's an opportunity for physicists to add statistical mechanics rigor to individual models. Or, in keeping with a theme of this session, to devise methods that more accurately bridge models from one scale to the next.

Particle deposition in human respiratory system: deposition of concentrated hygroscopic aerosols.

PubMed

Varghese, Suresh K; Gangamma, S

2009-06-01

In the nearly saturated human respiratory tract, the presence of water-soluble substances in the inhaled aerosols can cause change in the size distribution of the particles. This consequently alters the lung deposition profiles of the inhaled airborne particles. Similarly, the presence of high concentration of hygroscopic aerosols also affects the water vapor and temperature profiles in the respiratory tract. A model is presented to analyze these effects in human respiratory system. The model solves simultaneously the heat and mass transfer equations to determine the size evolution of respirable particles and gas-phase properties within human respiratory tract. First, the model predictions for nonhygroscopic aerosols are compared with experimental results. The model results are compared with experimental results of sodium chloride particles. The model reproduces the major features of the experimental data. The water vapor profile is significantly modified only when a high concentration of particles is present. The model is used to study the effect of equilibrium assumptions on particle deposition. Simulations show that an infinite dilution solution assumption to calculate the saturation equilibrium over droplet could induce errors in estimating particle growth. This error is significant in the case of particles of size greater than 1 mum and at number concentrations higher than 10(5)/cm(3).

Learning Particle Physics with DIY Play Dough Model

NASA Astrophysics Data System (ADS)

Thunyaniti, T.; Toedtanya, K.; Wuttiprom, S.

2017-09-01

The scientists once believed an atom was the smallest particle, nothing was smaller than this tiny particle. Later, they discovered an atom which consists of protons, neutrons and electrons, and they believed that these particles cannot be broken into the smaller particles. According to advanced technology, the scientists have discovered these particles are consisted of a smaller particles. The new particles are called quarks leptons and bosons which we called fundamental particle. Atomic structure cannot be observed directly, so it is complicated for studying these particles. To help the students get more understanding of its properties, so the researcher develops the learning pattern of fundamental particles from Play Dough Model for high school to graduate students. Four step of learning are 1) to introduces the concept of the fundamental particles discovery 2) to play the Happy Families game by using fundamental particles cards 3) to design and make their particle in a way that reflects its properties 4) to represents their particles from Play Dough Model. After doing activities, the students had more conceptual understanding and better memorability on fundamental particles. In addition, the students gained collaborative working experience among their friends also.

Mechanism of travelling-wave transport of particles

NASA Astrophysics Data System (ADS)

Kawamoto, Hiroyuki; Seki, Kyogo; Kuromiya, Naoyuki

2006-03-01

Numerical and experimental investigations have been carried out on transport of particles in an electrostatic travelling field. A three-dimensional hard-sphere model of the distinct element method was developed to simulate the dynamics of particles. Forces applied to particles in the model were the Coulomb force, the dielectrophoresis force on polarized dipole particles in a non-uniform field, the image force, gravity and the air drag. Friction and repulsion between particle-particle and particle-conveyer were included in the model to replace initial conditions after mechanical contacts. Two kinds of experiments were performed to confirm the model. One was the measurement of charge of particles that is indispensable to determine the Coulomb force. Charge distribution was measured from the locus of free-fallen particles in a parallel electrostatic field. The averaged charge of the bulk particle was confirmed by measurement with a Faraday cage. The other experiment was measurements of the differential dynamics of particles on a conveyer consisting of parallel electrodes to which a four-phase travelling electrostatic wave was applied. Calculated results agreed with measurements, and the following characteristics were clarified. (1) The Coulomb force is the predominant force to drive particles compared with the other kinds of forces, (2) the direction of particle transport did not always coincide with that of the travelling wave but changed partially. It depended on the frequency of the travelling wave, the particle diameter and the electric field, (3) although some particles overtook the travelling wave at a very low frequency, the motion of particles was almost synchronized with the wave at the low frequency and (4) the transport of some particles was delayed to the wave at medium frequency; the majority of particles were transported backwards at high frequency and particles were not transported but only vibrated at very high frequency.

Particle Tracking Model (PTM) with Coastal Modeling System (CMS)

DTIC Science & Technology

2015-11-04

Coastal Inlets Research Program Particle Tracking Model (PTM) with Coastal Modeling System ( CMS ) The Particle Tracking Model (PTM) is a Lagrangian...currents and waves. The Coastal Inlets Research Program (CIRP) supports the PTM with the Coastal Modeling System ( CMS ), which provides coupled wave...and current forcing for PTM simulations. CMS -PTM is implemented in the Surface-water Modeling System, a GUI environment for input development

A new hybrid particle/fluid model for cometary dust

NASA Astrophysics Data System (ADS)

Shou, Y.; Combi, M. R.; Tenishev, V.; Toth, G.; Hansen, K. C.; Huang, Z.; Gombosi, T. I.; Fougere, N.; Rubin, M.

2017-12-01

Cometary dust grains, which originate from comets, are believed to contain clues to the formation and the evolution of comets. They also play an important role in shaping the cometary environment, as they are able to decelerate and heat the gas through collisions, carry charges and interact with the plasma environment, and possibly sublimate gases. Therefore, the loss rate and behavior of dust grains are of interest to scientists. Currently, mainly two types of numerical dust models exist: particle models and fluid models have been developed. Particle models, which keep track of the positions and velocities of all gas and dust particles, allow crossing dust trajectories and a more accurate description of returning dust grains than the fluid model. However, in order to compute the gas drag force, the particle model needs to follow more gas particles than dust particles. A fluid model is usually more computationally efficient and is often used to provide simulations on larger spatial and temporal scales. In this work, a new hybrid model is developed to combine the advantages of both particle and fluid models. In the new approach a fluid model based on the University of Michigan BATSRUS code computes the gas properties, and feeds the gas drag force to the particle model, which is based on the Adaptive Mesh Particle Simulator (AMPS) code, to calculate the motion of dust grains. The coupling is done via the Space Weather Modeling Framework (SWMF). In addition to the capability of simulating the long-term dust phenomena, the model can also designate small active regions on the nucleus for comparison with the temporary fine dust features in observations. With the assistance of the newly developed model, the effect of viewing angles on observed dust jet shapes and the transportation of heavy dust grains from the southern to the northern hemisphere of comet 67P/Churyumov-Gerasimenko will be studied and compared with Rosetta mission images. Preliminary results will be presented. Support from contracts JPL #1266314 and #1266313 from the US Rosetta Project and grant NNX14AG84G from the NASA Planetary Atmospheres Program are gratefully acknowledged.

Magneto-elastic modeling of composites containing chain-structured magnetostrictive particles

NASA Astrophysics Data System (ADS)

Yin, H. M.; Sun, L. Z.; Chen, J. S.

2006-05-01

Magneto-elastic behavior is investigated for two-phase composites containing chain-structured magnetostrictive particles under both magnetic and mechanical loading. To derive the local magnetic and elastic fields, three modified Green's functions are derived and explicitly integrated for the infinite domain containing a spherical inclusion with a prescribed magnetization, body force, and eigenstrain. A representative volume element containing a chain of infinite particles is introduced to solve averaged magnetic and elastic fields in the particles and the matrix. Effective magnetostriction of composites is derived by considering the particle's magnetostriction and the magnetic interaction force. It is shown that there exists an optimal choice of the Young's modulus of the matrix and the volume fraction of the particles to achieve the maximum effective magnetostriction. A transversely isotropic effective elasticity is derived at the infinitesimal deformation. Disregarding the interaction term, this model provides the same effective elasticity as Mori-Tanaka's model. Comparisons of model results with the experimental data and other models show the efficacy of the model and suggest that the particle interactions have a considerable effect on the effective magneto-elastic properties of composites even for a low particle volume fraction.

On a two-particle bound system on the half-line

NASA Astrophysics Data System (ADS)

Kerner, Joachim; Mühlenbruch, Tobias

2017-10-01

In this paper we provide an extension of the model discussed in [10] describing two singularly interacting particles on the half-line ℝ+. In this model, the particles are interacting only whenever at least one particle is situated at the origin. Stimulated by [11] we then provide a generalisation of this model in order to include additional interactions between the particles leading to a molecular-like state. We give a precise mathematical formulation of the Hamiltonian of the system and perform spectral analysis. In particular, we are interested in the effect of the singular two-particle interactions onto the molecule.

Cluster kinetics model of particle separation in vibrated granular media.

PubMed

McCoy, Benjamin J; Madras, Giridhar

2006-01-01

We model the Brazil-nut effect (BNE) by hypothesizing that granules form clusters that fragment and aggregate. This provides a heterogeneous medium in which the immersed intruder particle rises (BNE) or sinks (reverse BNE) according to relative convection currents and buoyant and drag forces. A simple relationship proposed for viscous drag in terms of the vibrational intensity and the particle to grain density ratio allows simulation of published experimental data for rise and sink times as functions of particle radius, initial depth of the particle, and particle-grain density ratio. The proposed model correctly describes the experimentally observed maximum in risetime.

First Steps to Develop and Validate a CFPD Model in Order to Support the Design of Nose-to-Brain Delivered Biopharmaceuticals.

PubMed

Engelhardt, Lucas; Röhm, Martina; Mavoungou, Chrystelle; Schindowski, Katharina; Schafmeister, Annette; Simon, Ulrich

2016-06-01

Aerosol particle deposition in the human nasal cavity is of high interest in particular for intranasal central nervous system (CNS) drug delivery via the olfactory cleft. The objective of this study was the development and comparison of a numerical and experimental model to investigate various parameters for olfactory particle deposition within the complex anatomical nasal geometry. Based on a standardized nasal cavity, a computational fluid and particle dynamics (CFPD) model was developed that enables the variation and optimization of different parameters, which were validated by in vitro experiments using a constructed rapid-prototyped human nose model. For various flow rates (5 to 40 l/min) and particle sizes (1 to 10 μm), the airflow velocities, the calculated particle airflow patterns and the particle deposition correlated very well with the experiment. Particle deposition was investigated numerically by varying particle sizes at constant flow rate and vice versa assuming the particle size distribution of the used nebulizer. The developed CFPD model could be directly translated to the in vitro results. Hence, it can be applied for parameter screening and will contribute to the improvement of aerosol particle deposition at the olfactory cleft for CNS drug delivery in particular for biopharmaceuticals.

Quantifying the VNIR Effects of Nanophase Iron Generated through the Space Weathering of Silicates: Reconciling Modeled Data with Laboratory Observations

NASA Astrophysics Data System (ADS)

Legett, C., IV; Glotch, T. D.; Lucey, P. G.

2015-12-01

Space weathering is a diverse set of processes that occur on the surfaces of airless bodies due to exposure to the space environment. One of the effects of space weathering is the generation of nanophase iron particles in glassy rims on mineral grains due to sputtering of iron-bearing minerals. These particles have a size-dependent effect on visible and near infrared (VNIR) reflectance spectra with smaller diameter particles (< 50 nm) causing both reddening and darkening of the spectra with respect to unweathered material (Britt-Pieters particle behavior), while larger particles (> 300 nm) darken without reddening. Between these two sizes, a gradual shift between these two behaviors occurs. In this work, we present results from the Multiple Sphere T-Matrix (MSTM) scattering model in combination with Hapke theory to explore the particle size and iron content parameter spaces with respect to VNIR (700-1700 nm) spectral slope. Previous work has shown that the MSTM-Hapke hybrid model offers improvements over Mie-Hapke models. Virtual particles are constructed out of an arbitrary number of spheres, and each sphere is assigned a refractive index and extinction coefficient for each wavelength of interest. The model then directly solves Maxwell's Equations at every wave-particle interface to predict the scattering, extinction and absorption efficiencies. These are then put into a simplified Hapke bidirectional reflectance model that yields a predicted reflectance. Preliminary results show an area of maximum slopes for iron particle diameters < 80 nm and iron concentrations of ~1-10wt% in an amorphous silica matrix. Further model runs are planned to better refine the extent of this region. Companion laboratory work using mixtures of powdered aerogel and nanophase iron particles provides a point of comparison to modeling efforts. The effects on reflectance and emissivity values due to particle size in a nearly ideal scatterer (aerogel) are also observed with comparisons to model data.

Lower Bound on the Mean Square Displacement of Particles in the Hard Disk Model

NASA Astrophysics Data System (ADS)

Richthammer, Thomas

2016-08-01

The hard disk model is a 2D Gibbsian process of particles interacting via pure hard core repulsion. At high particle density the model is believed to show orientational order, however, it is known not to exhibit positional order. Here we investigate to what extent particle positions may fluctuate. We consider a finite volume version of the model in a box of dimensions 2 n × 2 n with arbitrary boundary configuration, and we show that the mean square displacement of particles near the center of the box is bounded from below by c log n. The result generalizes to a large class of models with fairly arbitrary interaction.

An Ellipsoidal Particle-Finite Element Method for Hypervelocity Impact Simulation. Chapter 1

NASA Technical Reports Server (NTRS)

Shivarama, Ravishankar; Fahrenthold, Eric P.

2004-01-01

A number of coupled particle-element and hybrid particle-element methods have been developed for the simulation of hypervelocity impact problems, to avoid certain disadvantages associated with the use of pure continuum based or pure particle based methods. To date these methods have employed spherical particles. In recent work a hybrid formulation has been extended to the ellipsoidal particle case. A model formulation approach based on Lagrange's equations, with particles entropies serving as generalized coordinates, avoids the angular momentum conservation problems which have been reported with ellipsoidal smooth particle hydrodynamics models.

Time-reversibility and particle sedimentation

NASA Technical Reports Server (NTRS)

Golubitsky, Martin; Krupa, Martin; Lim, Chjan

1991-01-01

This paper studies an ODE model, called the Stokeslet model, and describes sedimentation of small clusters of particles in a highly viscous fluid. This model has a trivial solution in which the n particles arrange themselves at the vertices of a regular n-sided polygon. When n = 3, Hocking and Caflisch et al. (1988) proved the existence of periodic motion (in the frame moving with the center of gravity in the cluster) in which the particles form an isosceles triangle. Here, the study of periodic and quasi-periodic solutions of the Stokeslet model is continued, with emphasis on the spatial and time-reversal symmetry of the model. For three particles, the existence of a second family of periodic solutions and a family of quasi-periodic solutions is proved. It is also indicated how the methods generalize to the case of n particles.

Microscopic motion of particles flowing through a porous medium

NASA Astrophysics Data System (ADS)

Lee, Jysoo; Koplik, Joel

1999-01-01

Stokesian dynamics simulations are used to study the microscopic motion of particles suspended in fluids passing through porous media. Model porous media with fixed spherical particles are constructed, and mobile ones move through this fixed bed under the action of an ambient velocity field. The pore scale motion of individual suspended particles at pore junctions are first considered. The relative particle flux into different possible directions exiting from a single pore, for two- and three-dimensional model porous media is found to approximately equal the corresponding fractional channel width or area. Next the waiting time distribution for particles which are delayed in a junction due to a stagnation point caused by a flow bifurcation is considered. The waiting times are found to be controlled by two-particle interactions, and the distributions take the same form in model porous media as in two-particle systems. A simple theoretical estimate of the waiting time is consistent with the simulations. It is found that perturbing such a slow-moving particle by another nearby one leads to rather complicated behavior. Finally, the stability of geometrically trapped particles is studied. For simple model traps, it is found that particles passing nearby can "relaunch" the trapped particle through its hydrodynamic interaction, although the conditions for relaunching depend sensitively on the details of the trap and its surroundings.

Numerical study on turbulence modulation in gas-particle flows

NASA Astrophysics Data System (ADS)

Yan, F.; Lightstone, M. F.; Wood, P. E.

2007-01-01

A mathematical model is proposed based on the Eulerian/Lagrangian approach to account for both the particle crossing trajectory effect and the extra turbulence production due to particle wake effects. The resulting model, together with existing models from the literature, is applied to two different particle-laden flow configurations, namely a vertical pipe flow and axisymmetric downward jet flow. The results show that the proposed model is able to provide improved predictions of the experimental results.

Microscopic particle-rotor model for the low-lying spectrum of Λ hypernuclei

NASA Astrophysics Data System (ADS)

Mei, H.; Hagino, K.; Yao, J. M.; Motoba, T.

2014-12-01

We propose a novel method for low-lying states of hypernuclei based on the particle-rotor model, in which hypernuclear states are constructed by coupling the hyperon to low-lying states of the core nucleus. In contrast to the conventional particle-rotor model, we employ a microscopic approach for the core states; that is, the generator coordinate method (GCM) with the particle number and angular momentum projections. We apply this microscopic particle-rotor model to Λ9Be as an example employing a point-coupling version of the relativistic mean-field Lagrangian. A reasonable agreement with the experimental data for the low-spin spectrum is achieved using the Λ N coupling strengths determined to reproduce the binding energy of the Λ particle.

Improved tunable range of the field-induced storage modulus by using flower-like particles as the active phase of magnetorheological elastomers.

PubMed

Tong, Yu; Dong, Xufeng; Qi, Min

2018-05-09

The field-induced storage modulus is an important parameter for the applications of magnetorheological (MR) elastomers. In this study, a model mechanism is established to analyze the potential benefits of using flower-like particles as the active phase compared with the benefits of using conventional spherical particles. To verify the model mechanism and to investigate the difference in dynamic viscoelasticity between MREs with spherical particles and flower-like particles, flower-like cobalt particles and spherical cobalt particles with similar particle sizes and magnetic properties are synthesized and used as the active phase to prepare MR elastomers. As the model predicts, MREs with flower-like cobalt particles present a higher crosslink density and enhanced interfacial bond strength, which leads to a higher storage modulus and higher loss modulus with respect to MREs with spherical cobalt particles. The tunable range of the field-induced storage modulus of MREs is also improved upon using the flower-like particles as the active phase.

Charge-Spot Model for Electrostatic Forces in Simulation of Fine Particulates

NASA Technical Reports Server (NTRS)

Walton, Otis R.; Johnson, Scott M.

2010-01-01

The charge-spot technique for modeling the static electric forces acting between charged fine particles entails treating electric charges on individual particles as small sets of discrete point charges, located near their surfaces. This is in contrast to existing models, which assume a single charge per particle. The charge-spot technique more accurately describes the forces, torques, and moments that act on triboelectrically charged particles, especially image-charge forces acting near conducting surfaces. The discrete element method (DEM) simulation uses a truncation range to limit the number of near-neighbor charge spots via a shifted and truncated potential Coulomb interaction. The model can be readily adapted to account for induced dipoles in uncharged particles (and thus dielectrophoretic forces) by allowing two charge spots of opposite signs to be created in response to an external electric field. To account for virtual overlap during contacts, the model can be set to automatically scale down the effective charge in proportion to the amount of virtual overlap of the charge spots. This can be accomplished by mimicking the behavior of two real overlapping spherical charge clouds, or with other approximate forms. The charge-spot method much more closely resembles real non-uniform surface charge distributions that result from tribocharging than simpler approaches, which just assign a single total charge to a particle. With the charge-spot model, a single particle may have a zero net charge, but still have both positive and negative charge spots, which could produce substantial forces on the particle when it is close to other charges, when it is in an external electric field, or when near a conducting surface. Since the charge-spot model can contain any number of charges per particle, can be used with only one or two charge spots per particle for simulating charging from solar wind bombardment, or with several charge spots for simulating triboelectric charging. Adhesive image-charge forces acting on charged particles touching conducting surfaces can be up to 50 times stronger if the charge is located in discrete spots on the particle surface instead of being distributed uniformly over the surface of the particle, as is assumed by most other models. Besides being useful in modeling particulates in space and distant objects, this modeling technique is useful for electrophotography (used in copiers) and in simulating the effects of static charge in the pulmonary delivery of fine dry powders.

Modeling particle number concentrations along Interstate 10 in El Paso, Texas

PubMed Central

Olvera, Hector A.; Jimenez, Omar; Provencio-Vasquez, Elias

2014-01-01

Annual average daily particle number concentrations around a highway were estimated with an atmospheric dispersion model and a land use regression model. The dispersion model was used to estimate particle concentrations along Interstate 10 at 98 locations within El Paso, Texas. This model employed annual averaged wind speed and annual average daily traffic counts as inputs. A land use regression model with vehicle kilometers traveled as the predictor variable was used to estimate local background concentrations away from the highway to adjust the near-highway concentration estimates. Estimated particle number concentrations ranged between 9.8 × 103 particles/cc and 1.3 × 105 particles/cc, and averaged 2.5 × 104 particles/cc (SE 421.0). Estimates were compared against values measured at seven sites located along I10 throughout the region. The average fractional error was 6% and ranged between -1% and -13% across sites. The largest bias of -13% was observed at a semi-rural site where traffic was lowest. The average bias amongst urban sites was 5%. The accuracy of the estimates depended primarily on the emission factor and the adjustment to local background conditions. An emission factor of 1.63 × 1014 particles/veh-km was based on a value proposed in the literature and adjusted with local measurements. The integration of the two modeling techniques ensured that the particle number concentrations estimates captured the impact of traffic along both the highway and arterial roadways. The performance and economical aspects of the two modeling techniques used in this study shows that producing particle concentration surfaces along major roadways would be feasible in urban regions where traffic and meteorological data are readily available. PMID:25313294

Dusty gas influences on transport in turbulent erosive propellant flow

NASA Astrophysics Data System (ADS)

Buckingham, A. C.

1980-01-01

A theoretical-numerical model is introduced which relates the influences of particles on erosive transport in a turbulent reactive boundary layer. Specifically, this discussion concerns additive particles used to suppress wall erosion in gun barrel turbulent propellant combustion. The turbulent-particle interactions are modeled with random particulate motion computations. These produce particulate trajectories, distributions and momenta. The interaction model includes effects of particle size, mass, and rotation as well as two-particle hard sphere collisions. The main purpose of this work is to evaluate the effects of the particles on the energy, mass, and momentum transport in the erosive wall boundary layer region. Neglecting thermal relaxation, the heat transfer rates are found to be substantially reduced when smaller diameter (0.2 micron) particles are introduced as compared to larger diameter particles (5 microns).

Modeling compressible multiphase flows with dispersed particles in both dense and dilute regimes

NASA Astrophysics Data System (ADS)

McGrath, T.; St. Clair, J.; Balachandar, S.

2018-05-01

Many important explosives and energetics applications involve multiphase formulations employing dispersed particles. While considerable progress has been made toward developing mathematical models and computational methodologies for these flows, significant challenges remain. In this work, we apply a mathematical model for compressible multiphase flows with dispersed particles to existing shock and explosive dispersal problems from the literature. The model is cast in an Eulerian framework, treats all phases as compressible, is hyperbolic, and satisfies the second law of thermodynamics. It directly applies the continuous-phase pressure gradient as a forcing function for particle acceleration and thereby retains relaxed characteristics for the dispersed particle phase that remove the constituent material sound velocity from the eigenvalues. This is consistent with the expected characteristics of dispersed particle phases and can significantly improve the stable time-step size for explicit methods. The model is applied to test cases involving the shock and explosive dispersal of solid particles and compared to data from the literature. Computed results compare well with experimental measurements, providing confidence in the model and computational methods applied.

Dynamic properties of polydisperse colloidal particles in the presence of thermal gradient studied by a modified Brownian dynamic model

NASA Astrophysics Data System (ADS)

Song, Dongxing; Jin, Hui; Jing, Dengwei; Wang, Xin

2018-03-01

Aggregation and migration of colloidal particles under the thermal gradient widely exists in nature and many industrial processes. In this study, dynamic properties of polydisperse colloidal particles in the presence of thermal gradient were studied by a modified Brownian dynamic model. Other than the traditional forces on colloidal particles, including Brownian force, hydrodynamic force, and electrostatic force from other particles, the electrostatic force from the asymmetric ionic diffusion layer under a thermal gradient has been considered and introduced into the Brownian dynamic model. The aggregation ratio of particles (R A), the balance time (t B) indicating the time threshold when {{R}A} becomes constant, the porosity ({{P}BA} ), fractal dimension (D f) and distributions of concentration (DISC) and aggregation (DISA) for the aggregated particles were discussed based on this model. The aggregated structures formed by polydisperse particles are less dense and the particles therein are loosely bonded. Also it showed a quite large compressibility as the increases of concentration and interparticle potential can significantly increase the fractal dimension. The thermal gradient can induce two competitive factors leading to a two-stage migration of particles. When t<{{t}B} , the unsynchronized aggregation is dominant and the particles slightly migrate along the thermal gradient. When t>{{t}B} , the thermophoresis becomes dominant thus the migrations of particles are against the thermal gradient. The effect of thermophoresis on the aggregate structures was found to be similar to the effect of increasing particle concentration. This study demonstrates how the thermal gradient affects the aggregation of monodisperse and polydisperse particles and can be a guide for the biomimetics and precise control of colloid system under the thermal gradient. Moreover, our model can be easily extended to other more complex colloidal systems considering shear, temperature fluctuation, surfactant, etc.

Phytoplankton as Particles - A New Approach to Modeling Algal Blooms

DTIC Science & Technology

2013-07-01

68  Figure 69. Amplitudes of lunar semi-diurnal and diurnal harmonics of observed and computed...particle behavior when the trajectory takes a particle outside the model domain. The rules associated with the present particle-tracking algorithms are... land - ward, although occasional reversals occurred. Amplitude of the current fluctuations was ≈ 20 cm s-1. Model residual currents for one year were

Three-phase boundary length in solid-oxide fuel cells: A mathematical model

NASA Astrophysics Data System (ADS)

Janardhanan, Vinod M.; Heuveline, Vincent; Deutschmann, Olaf

A mathematical model to calculate the volume specific three-phase boundary length in the porous composite electrodes of solid-oxide fuel cell is presented. The model is exclusively based on geometrical considerations accounting for porosity, particle diameter, particle size distribution, and solids phase distribution. Results are presented for uniform particle size distribution as well as for non-uniform particle size distribution.

On The Importance of Connecting Laboratory Measurements of Ice Crystal Growth with Model Parameterizations: Predicting Ice Particle Properties

NASA Astrophysics Data System (ADS)

Harrington, J. Y.

2017-12-01

Parameterizing the growth of ice particles in numerical models is at an interesting cross-roads. Most parameterizations developed in the past, including some that I have developed, parse model ice into numerous categories based primarily on the growth mode of the particle. Models routinely possess smaller ice, snow crystals, aggregates, graupel, and hail. The snow and ice categories in some models are further split into subcategories to account for the various shapes of ice. There has been a relatively recent shift towards a new class of microphysical models that predict the properties of ice particles instead of using multiple categories and subcategories. Particle property models predict the physical characteristics of ice, such as aspect ratio, maximum dimension, effective density, rime density, effective area, and so forth. These models are attractive in the sense that particle characteristics evolve naturally in time and space without the need for numerous (and somewhat artificial) transitions among pre-defined classes. However, particle property models often require fundamental parameters that are typically derived from laboratory measurements. For instance, the evolution of particle shape during vapor depositional growth requires knowledge of the growth efficiencies for the various axis of the crystals, which in turn depends on surface parameters that can only be determined in the laboratory. The evolution of particle shapes and density during riming, aggregation, and melting require data on the redistribution of mass across a crystals axis as that crystal collects water drops, ice crystals, or melts. Predicting the evolution of particle properties based on laboratory-determined parameters has a substantial influence on the evolution of some cloud systems. Radiatively-driven cirrus clouds show a broader range of competition between heterogeneous nucleation and homogeneous freezing when ice crystal properties are predicted. Even strongly convective squall lines show a substantial influence to predicted particle properties: The more natural evolution of ice crystals during riming produces graupel-like particles with size and fall-speeds required for the formation of a classic transition zone and extended stratiform precipitation region.

A square-force cohesion model and its extraction from bulk measurements

NASA Astrophysics Data System (ADS)

Liu, Peiyuan; Lamarche, Casey; Kellogg, Kevin; Hrenya, Christine

2017-11-01

Cohesive particles remain poorly understood, with order of magnitude differences exhibited for prior, physical predictions of agglomerate size. A major obstacle lies in the absence of robust models of particle-particle cohesion, thereby precluding accurate prediction of the behavior of cohesive particles. Rigorous cohesion models commonly contain parameters related to surface roughness, to which cohesion shows extreme sensitivity. However, both roughness measurement and its distillation into these model parameters are challenging. Accordingly, we propose a ``square-force'' model, where cohesive force remains constant until a cut-off separation. Via DEM simulations, we demonstrate validity of the square-force model as surrogate of more rigorous models, when its two parameters are selected to match the two key quantities governing dense and dilute granular flows, namely maximum cohesive force and critical cohesive energy, respectively. Perhaps more importantly, we establish a method to extract the parameters in the square-force model via defluidization, due to its ability to isolate the effects of the two parameters. Thus, instead of relying on complicated scans of individual grains, determination of particle-particle cohesion from simple bulk measurements becomes feasible. Dow Corning Corporation.

Modelling non-equilibrium secondary organic aerosol formation and evaporation with the aerosol dynamics, gas- and particle-phase chemistry kinetic multilayer model ADCHAM

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

Roldin, P.; Eriksson, A. C.; Nordin, E. Z.

2014-08-11

We have developed the novel Aerosol Dynamics, gas- and particle- phase chemistry model for laboratory CHAMber studies (ADCHAM). The model combines the detailed gas phase Master Chemical Mechanism version 3.2, an aerosol dynamics and particle phase chemistry module (which considers acid catalysed oligomerization, heterogeneous oxidation reactions in the particle phase and non-ideal interactions between organic compounds, water and inorganic ions) and a kinetic multilayer module for diffusion limited transport of compounds between the gas phase, particle surface and particle bulk phase. In this article we describe and use ADCHAM to study: 1) the mass transfer limited uptake of ammonia (NH3)more » and formation of organic salts between ammonium (NH4+) and carboxylic acids (RCOOH), 2) the slow and almost particle size independent evaporation of α-pinene secondary organic aerosol (SOA) particles, and 3) the influence of chamber wall effects on the observed SOA formation in smog chambers.« less

Numerical study of a stochastic particle algorithm solving a multidimensional population balance model for high shear granulation

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

Braumann, Andreas; Kraft, Markus, E-mail: mk306@cam.ac.u; Wagner, Wolfgang

2010-10-01

This paper is concerned with computational aspects of a multidimensional population balance model of a wet granulation process. Wet granulation is a manufacturing method to form composite particles, granules, from small particles and binders. A detailed numerical study of a stochastic particle algorithm for the solution of a five-dimensional population balance model for wet granulation is presented. Each particle consists of two types of solids (containing pores) and of external and internal liquid (located in the pores). Several transformations of particles are considered, including coalescence, compaction and breakage. A convergence study is performed with respect to the parameter that determinesmore » the number of numerical particles. Averaged properties of the system are computed. In addition, the ensemble is subdivided into practically relevant size classes and analysed with respect to the amount of mass and the particle porosity in each class. These results illustrate the importance of the multidimensional approach. Finally, the kinetic equation corresponding to the stochastic model is discussed.« less

Testing and Improving Theories of Radiative Transfer for Determining the Mineralogy of Planetary Surfaces

NASA Astrophysics Data System (ADS)

Gudmundsson, E.; Ehlmann, B. L.; Mustard, J. F.; Hiroi, T.; Poulet, F.

2012-12-01

Two radiative transfer theories, the Hapke and Shkuratov models, have been used to estimate the mineralogic composition of laboratory mixtures of anhydrous mafic minerals from reflected near-infrared light, accurately modeling abundances to within 10%. For this project, we tested the efficacy of the Hapke model for determining the composition of mixtures (weight fraction, particle diameter) containing hydrous minerals, including phyllosilicates. Modal mineral abundances for some binary mixtures were modeled to +/-10% of actual values, but other mixtures showed higher inaccuracies (up to 25%). Consequently, a sensitivity analysis of selected input and model parameters was performed. We first examined the shape of the model's error function (RMS error between modeled and measured spectra) over a large range of endmember weight fractions and particle diameters and found that there was a single global minimum for each mixture (rather than local minima). The minimum was sensitive to modeled particle diameter but comparatively insensitive to modeled endmember weight fraction. Derivation of the endmembers' k optical constant spectra using the Hapke model showed differences with the Shkuratov-derived optical constants originally used. Model runs with different sets of optical constants suggest that slight differences in the optical constants used significantly affect the accuracy of model predictions. Even for mixtures where abundance was modeled correctly, particle diameter agreed inconsistently with sieved particle sizes and varied greatly for individual mix within suite. Particle diameter was highly sensitive to the optical constants, possibly indicating that changes in modeled path length (proportional to particle diameter) compensate for changes in the k optical constant. Alternatively, it may not be appropriate to model path length and particle diameter with the same proportionality for all materials. Across mixtures, RMS error increased in proportion to the fraction of the darker endmember. Analyses are ongoing and further studies will investigate the effect of sample hydration, permitted variability in particle size, assumed photometric functions and use of different wavelength ranges on model results. Such studies will advance understanding of how to best apply radiative transfer modeling to geologically complex planetary surfaces. Corresponding authors: eyjolfur88@gmail.com, ehlmann@caltech.edu

Biomass particle models with realistic morphology and resolved microstructure for simulations of intraparticle transport phenomena

DOE PAGES

Ciesielski, Peter N.; Crowley, Michael F.; Nimlos, Mark R.; ...

2014-12-09

Biomass exhibits a complex microstructure of directional pores that impact how heat and mass are transferred within biomass particles during conversion processes. However, models of biomass particles used in simulations of conversion processes typically employ oversimplified geometries such as spheres and cylinders and neglect intraparticle microstructure. In this study, we develop 3D models of biomass particles with size, morphology, and microstructure based on parameters obtained from quantitative image analysis. We obtain measurements of particle size and morphology by analyzing large ensembles of particles that result from typical size reduction methods, and we delineate several representative size classes. Microstructural parameters, includingmore » cell wall thickness and cell lumen dimensions, are measured directly from micrographs of sectioned biomass. A general constructive solid geometry algorithm is presented that produces models of biomass particles based on these measurements. Next, we employ the parameters obtained from image analysis to construct models of three different particle size classes from two different feedstocks representing a hardwood poplar species ( Populus tremuloides, quaking aspen) and a softwood pine ( Pinus taeda, loblolly pine). Finally, we demonstrate the utility of the models and the effects explicit microstructure by performing finite-element simulations of intraparticle heat and mass transfer, and the results are compared to similar simulations using traditional simplified geometries. In conclusion, we show how the behavior of particle models with more realistic morphology and explicit microstructure departs from that of spherical models in simulations of transport phenomena and that species-dependent differences in microstructure impact simulation results in some cases.« less

3D finite element modelling of force transmission and particle fracture of sand

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

Imseeh, Wadi H.; Alshibli, Khalid A.

Global compressive loading of granular media causes rearrangements of particles into a denser configuration. Under 1D compression, researchers observed that particles initially translate and rotate which lead to more contacts between particles and the development of force chains to resist applied loads. Particles within force chains resist most of the applied loads while neighbor particles provide lateral support to prevent particles within force chains from buckling. Several experimental and numerical models have been proposed in the literature to characterize force chains within granular materials. This paper presents a 3D finite element (FE) model that simulates 1D compression experiment on F-75more » Ottawa sand. The FE mesh of particles closely matched 3D physical shape of sand particles that were acquired using 3D synchrotron micro-computed tomography (SMT) technique. The paper presents a quantitative assessment of the model, in which evolution of force chains, fracture modes, and stress-strain relationships showed an excellent agreement with experimental measurements reported by Cil et al. Alshibli (2017).« less

How to bridge the gap between "unresolved" model and "resolved" model in CFD-DEM coupled method for sediment transport?

NASA Astrophysics Data System (ADS)

Liu, D.; Fu, X.; Liu, X.

2016-12-01

In nature, granular materials exist widely in water bodies. Understanding the fundamentals of solid-liquid two-phase flow, such as turbulent sediment-laden flow, is of importance for a wide range of applications. A coupling method combining computational fluid dynamics (CFD) and discrete element method (DEM) is now widely used for modeling such flows. In this method, when particles are significantly larger than the CFD cells, the fluid field around each particle should be fully resolved. On the other hand, the "unresolved" model is designed for the situation where particles are significantly smaller than the mesh cells. Using "unresolved" model, large amount of particles can be simulated simultaneously. However, there is a gap between these two situations when the size of DEM particles and CFD cell is in the same order of magnitude. In this work, the most commonly used void fraction models are tested with numerical sedimentation experiments. The range of applicability for each model is presented. Based on this, a new void fraction model, i.e., a modified version of "tri-linear" model, is proposed. Particular attention is paid to the smooth function of void fraction in order to avoid numerical instability. The results show good agreement with the experimental data and analytical solution for both single-particle motion and also group-particle motion, indicating great potential of the new void fraction model.

A Local-Realistic Model of Quantum Mechanics Based on a Discrete Spacetime

NASA Astrophysics Data System (ADS)

Sciarretta, Antonio

2018-01-01

This paper presents a realistic, stochastic, and local model that reproduces nonrelativistic quantum mechanics (QM) results without using its mathematical formulation. The proposed model only uses integer-valued quantities and operations on probabilities, in particular assuming a discrete spacetime under the form of a Euclidean lattice. Individual (spinless) particle trajectories are described as random walks. Transition probabilities are simple functions of a few quantities that are either randomly associated to the particles during their preparation, or stored in the lattice nodes they visit during the walk. QM predictions are retrieved as probability distributions of similarly-prepared ensembles of particles. The scenarios considered to assess the model comprise of free particle, constant external force, harmonic oscillator, particle in a box, the Delta potential, particle on a ring, particle on a sphere and include quantization of energy levels and angular momentum, as well as momentum entanglement.

Particle-laden weakly swirling free jets: Measurements and predictions. Ph.D. Thesis - Pennsylvania State Univ.

NASA Technical Reports Server (NTRS)

Bulzan, Daniel L.

1988-01-01

A theoretical and experimental investigation of particle-laden, weakly swirling, turbulent free jets was conducted. Glass particles, having a Sauter mean diameter of 39 microns, with a standard deviation of 15 microns, were used. A single loading ratio (the mass flow rate of particles per unit mass flow rate of air) of 0.2 was used in the experiments. Measurements are reported for three swirl numbers, ranging from 0 to 0.33. The measurements included mean and fluctuating velocities of both phases, and particle mass flux distributions. Measurements were also completed for single-phase non-swirling and swirling jets, as baselines. Measurements were compared with predictions from three types of multiphase flow analysis, as follows: (1) locally homogeneous flow (LHF) where slip between the phases was neglected; (2) deterministic separated flow (DSF), where slip was considered but effects of turbulence/particle interactions were neglected; and (3) stochastic separated flow (SSF), where effects of both interphase slip and turbulence/particle interactions were considered using random sampling for turbulence properties in conjunction with random-walk computations for particle motion. Single-phase weakly swirling jets were considered first. Predictions using a standard k-epsilon turbulence model, as well as two versions modified to account for effects of streamline curvature, were compared with measurements. Predictions using a streamline curvature modification based on the flux Richardson number gave better agreement with measurements for the single-phase swirling jets than the standard k-epsilon model. For the particle-laden jets, the LHF and DSF models did not provide very satisfactory predictions. The LHF model generally overestimated the rate of decay of particle mean axial and angular velocities with streamwise distance, and predicted particle mass fluxes also showed poor agreement with measurements, due to the assumption of no-slip between phases. The DSF model also performed quite poorly for predictions of particle mass flux because turbulent dispersion of the particles was neglected. The SSF model, which accounts for both particle inertia and turbulent dispersion of the particles, yielded reasonably good predictions throughout the flow field for the particle-laden jets.

Evaluation of stochastic particle dispersion modeling in turbulent round jets

DOE PAGES

Sun, Guangyuan; Hewson, John C.; Lignell, David O.

2016-11-02

ODT (one-dimensional turbulence) simulations of particle-carrier gas interactions are performed in the jet flow configuration. Particles with different diameters are injected onto the centerline of a turbulent air jet. The particles are passive and do not impact the fluid phase. Their radial dispersion and axial velocities are obtained as functions of axial position. The time and length scales of the jet are varied through control of the jet exit velocity and nozzle diameter. Dispersion data at long times of flight for the nozzle diameter (7 mm), particle diameters (60 and 90 µm), and Reynolds numbers (10, 000–30, 000) are analyzedmore » to obtain the Lagrangian particle dispersivity. Flow statistics of the ODT particle model are compared to experimental measurements. It is shown that the particle tracking method is capable of yielding Lagrangian prediction of the dispersive transport of particles in a round jet. In this study, three particle-eddy interaction models (Type-I, -C, and -IC) are presented to examine the details of particle dispersion and particle-eddy interaction in jet flow.« less

A stochastic model of particle dispersion in turbulent reacting gaseous environments

NASA Astrophysics Data System (ADS)

Sun, Guangyuan; Lignell, David; Hewson, John

2012-11-01

We are performing fundamental studies of dispersive transport and time-temperature histories of Lagrangian particles in turbulent reacting flows. The particle-flow statistics including the full particle temperature PDF are of interest. A challenge in modeling particle motions is the accurate prediction of fine-scale aerosol-fluid interactions. A computationally affordable stochastic modeling approach, one-dimensional turbulence (ODT), is a proven method that captures the full range of length and time scales, and provides detailed statistics of fine-scale turbulent-particle mixing and transport. Limited results of particle transport in ODT have been reported in non-reacting flow. Here, we extend ODT to particle transport in reacting flow. The results of particle transport in three flow configurations are presented: channel flow, homogeneous isotropic turbulence, and jet flames. We investigate the functional dependence of the statistics of particle-flow interactions including (1) parametric study with varying temperatures, Reynolds numbers, and particle Stokes numbers; (2) particle temperature histories and PDFs; (3) time scale and the sensitivity of initial and boundary conditions. Flow statistics are compared to both experimental measurements and DNS data.

A model study of aggregates composed of spherical soot monomers with an acentric carbon shell

NASA Astrophysics Data System (ADS)

Luo, Jie; Zhang, Yongming; Zhang, Qixing

2018-01-01

Influences of morphology on the optical properties of soot particles have gained increasing attentions. However, studies on the effect of the way primary particles are coated on the optical properties is few. Aimed to understand how the primary particles are coated affect the optical properties of soot particles, the coated soot particle was simulated using the acentric core-shell monomers model (ACM), which was generated by randomly moving the cores of concentric core-shell monomers (CCM) model. Single scattering properties of the CCM model with identical fractal parameters were calculated 50 times at first to evaluate the optical diversities of different realizations of fractal aggregates with identical parameters. The results show that optical diversities of different realizations for fractal aggregates with identical parameters cannot be eliminated by averaging over ten random realizations. To preserve the fractal characteristics, 10 realizations of each model were generated based on the identical 10 parent fractal aggregates, and then the results were averaged over each 10 realizations, respectively. The single scattering properties of all models were calculated using the numerically exact multiple-sphere T-matrix (MSTM) method. It is found that the single scattering properties of randomly coated soot particles calculated using the ACM model are extremely close to those using CCM model and homogeneous aggregate (HA) model using Maxwell-Garnett effective medium theory. Our results are different from previous studies. The reason may be that the differences in previous studies were caused by fractal characteristics but not models. Our findings indicate that how the individual primary particles are coated has little effect on the single scattering properties of soot particles with acentric core-shell monomers. This work provides a suggestion for scattering model simplification and model selection.

High frequency sonar variability in littoral environments: Irregular particles and bubbles

NASA Astrophysics Data System (ADS)

Richards, Simon D.; Leighton, Timothy G.; White, Paul R.

2002-11-01

Littoral environments may be characterized by high concentrations of suspended particles. Such suspensions contribute to attenuation through visco-inertial absorption and scattering and may therefore be partially responsible for the observed variability in high frequency sonar performance in littoral environments. Microbubbles which are prevalent in littoral waters also contribute to volume attenuation through radiation, viscous and thermal damping and cause dispersion. The attenuation due to a polydisperse suspension of particles with depth-dependent concentration has been included in a sonar model. The effects of a depth-dependent, polydisperse population of microbubbles on attenuation, sound speed and volume reverberation are also included. Marine suspensions are characterized by nonspherical particles, often plate-like clay particles. Measurements of absorption in dilute suspensions of nonspherical particles have shown disagreement with predictions of spherical particle models. These measurements have been reanalyzed using three techniques for particle sizing: laser diffraction, gravitational sedimentation, and centrifugal sedimentation, highlighting the difficulty of characterizing polydisperse suspensions of irregular particles. The measurements have been compared with predictions of a model for suspensions of oblate spheroids. Excellent agreement is obtained between this model and the measurements for kaolin particles, without requiring any a priori knowledge of the measurements.

Cloud-In-Cell modeling of shocked particle-laden flows at a ``SPARSE'' cost

NASA Astrophysics Data System (ADS)

Taverniers, Soren; Jacobs, Gustaaf; Sen, Oishik; Udaykumar, H. S.

2017-11-01

A common tool for enabling process-scale simulations of shocked particle-laden flows is Eulerian-Lagrangian Particle-Source-In-Cell (PSIC) modeling where each particle is traced in its Lagrangian frame and treated as a mathematical point. Its dynamics are governed by Stokes drag corrected for high Reynolds and Mach numbers. The computational burden is often reduced further through a ``Cloud-In-Cell'' (CIC) approach which amalgamates groups of physical particles into computational ``macro-particles''. CIC does not account for subgrid particle fluctuations, leading to erroneous predictions of cloud dynamics. A Subgrid Particle-Averaged Reynolds-Stress Equivalent (SPARSE) model is proposed that incorporates subgrid interphase velocity and temperature perturbations. A bivariate Gaussian source distribution, whose covariance captures the cloud's deformation to first order, accounts for the particles' momentum and energy influence on the carrier gas. SPARSE is validated by conducting tests on the interaction of a particle cloud with the accelerated flow behind a shock. The cloud's average dynamics and its deformation over time predicted with SPARSE converge to their counterparts computed with reference PSIC models as the number of Gaussians is increased from 1 to 16. This work was supported by AFOSR Grant No. FA9550-16-1-0008.

Modeling of the rough spherical nanoparticles manipulation on a substrate based on the AFM nanorobot

NASA Astrophysics Data System (ADS)

Zakeri, M.; Faraji, J.

2014-12-01

In this paper, dynamic behavior of the rough spherical micro/nanoparticles during pulling/pushing on the flat substrate has been investigated and analyzed. For this purpose, at first, two hexagonal roughness models (George and Cooper) were studied and then evaluations for adhesion force were determined for rough particle manipulation on flat substrate. These two models were then changed by using of the Rabinovich theory. Evaluations were determined for contact adhesion force between rough particle and flat substrate; depth of penetration evaluations were determined by the Johnson-Kendall-Roberts contact mechanic theory and the Schwartz method and according to Cooper and George roughness models. Then, the novel contact theory was used to determine a dynamic model for rough micro/nanoparticle manipulation on flat substrate. Finally, simulation of particle dynamic behavior was implemented during pushing of rough spherical gold particles with radii of 50, 150, 400, 600, and 1,000 nm. Results derived from simulations of particles with several rates of roughness on flat substrate indicated that compared to results for flat particles, inherent roughness on particles might reduce the rate of critical force needed for sliding and rolling given particles. Given a fixed radius for roughness value and increased roughness height, evaluations for sliding and rolling critical forces showed greater reduction. Alternately, the rate of critical force was shown to reduce relative to an increased roughness radius. With respect to both models, based on the George roughness model, the predicted rate of adhesion force was greater than that determined in the Cooper roughness model, and as a result, the predicted rate of critical force based on the George roughness model was closer to the critical force value of flat particle.

Attrition of coal ash particles in a fluidized-bed reactor

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

Tomeczek, J.; Mocek, P.

2007-05-15

Experimental data of ash-particles attrition in a fluidized bed is presented, and also the results of modeling. Five sizes of ash particles (1.02-1.25; 1.25-1.6; 1.6-2.0; 2.0-5.0; 5.0-10.0 mm) produced in an industrial CFB boiler were examined. A new model of mechanical attrition has been proposed which incorporates new parameters: the shape factor of particles and the ratio of the bed height to bed diameter, strongly influencing the rate of bed mass loss. The model describes very well experimental data for coal-ash particles attrition. The attrition-rate coefficient for ash particles was evaluated.

Viscosity and transient electric birefringence study of clay colloidal aggregation.

PubMed

Bakk, Audun; Fossum, Jon O; da Silva, Geraldo J; Adland, Hans M; Mikkelsen, Arne; Elgsaeter, Arnljot

2002-02-01

We study a synthetic clay suspension of laponite at different particle and NaCl concentrations by measuring stationary shear viscosity and transient electrically induced birefringence (TEB). On one hand the viscosity data are consistent with the particles being spheres and the particles being associated with large amount bound water. On the other hand the viscosity data are also consistent with the particles being asymmetric, consistent with single laponite platelets associated with a very few monolayers of water. We analyze the TEB data by employing two different models of aggregate size (effective hydrodynamic radius) distribution: (1) bidisperse model and (2) log-normal distributed model. Both models fit, in the same manner, fairly well to the experimental TEB data and they indicate that the suspension consists of polydisperse particles. The models also appear to confirm that the aggregates increase in size vs increasing ionic strength. The smallest particles at low salt concentrations seem to be monomers and oligomers.

McSnow: A Monte-Carlo Particle Model for Riming and Aggregation of Ice Particles in a Multidimensional Microphysical Phase Space

NASA Astrophysics Data System (ADS)

Brdar, S.; Seifert, A.

2018-01-01

We present a novel Monte-Carlo ice microphysics model, McSnow, to simulate the evolution of ice particles due to deposition, aggregation, riming, and sedimentation. The model is an application and extension of the super-droplet method of Shima et al. (2009) to the more complex problem of rimed ice particles and aggregates. For each individual super-particle, the ice mass, rime mass, rime volume, and the number of monomers are predicted establishing a four-dimensional particle-size distribution. The sensitivity of the model to various assumptions is discussed based on box model and one-dimensional simulations. We show that the Monte-Carlo method provides a feasible approach to tackle this high-dimensional problem. The largest uncertainty seems to be related to the treatment of the riming processes. This calls for additional field and laboratory measurements of partially rimed snowflakes.

Statistical analyses of Higgs- and Z -portal dark matter models

NASA Astrophysics Data System (ADS)

Ellis, John; Fowlie, Andrew; Marzola, Luca; Raidal, Martti

2018-06-01

We perform frequentist and Bayesian statistical analyses of Higgs- and Z -portal models of dark matter particles with spin 0, 1 /2 , and 1. Our analyses incorporate data from direct detection and indirect detection experiments, as well as LHC searches for monojet and monophoton events, and we also analyze the potential impacts of future direct detection experiments. We find acceptable regions of the parameter spaces for Higgs-portal models with real scalar, neutral vector, Majorana, or Dirac fermion dark matter particles, and Z -portal models with Majorana or Dirac fermion dark matter particles. In many of these cases, there are interesting prospects for discovering dark matter particles in Higgs or Z decays, as well as dark matter particles weighing ≳100 GeV . Negative results from planned direct detection experiments would still allow acceptable regions for Higgs- and Z -portal models with Majorana or Dirac fermion dark matter particles.

Multi-step production of a diphoton resonance

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

Dobrescu, Bogdan A.; Fox, Patrick J.; Kearney, John

2017-04-24

Assuming that the mass peak at 750 GeV reported by the ATLAS and CMS Collaborations is due to a spin-0 particle that decays into two photons, we present two weakly-coupled renormalizable models that lead to different production mechanisms. In one model, a scalar particle produced through gluon fusion decays into the diphoton particle and a light, long-lived pseudoscalar. In another model, a $Z'$ boson produced from the annihilation of a strange-antistrange quark pair undergoes a cascade decay that leads to the diphoton particle and two sterile neutrinos. We show that various kinematic distributions may differentiate these models from the canonicalmore » model where the diphoton particle is directly produced in gluon fusion.« less

Evaluation and modelling of the size fractionated aerosol particle number concentration measurements nearby a major road in Helsinki - Part I: Modelling results within the LIPIKA project

NASA Astrophysics Data System (ADS)

Pohjola, M. A.; Pirjola, L.; Karppinen, A.; Härkönen, J.; Korhonen, H.; Hussein, T.; Ketzel, M.; Kukkonen, J.

2007-08-01

A field measurement campaign was conducted near a major road "Itäväylä" in an urban area in Helsinki in 17-20 February 2003. Aerosol measurements were conducted using a mobile laboratory "Sniffer" at various distances from the road, and at an urban background location. Measurements included particle size distribution in the size range of 7 nm-10 μm (aerodynamic diameter) by the Electrical Low Pressure Impactor (ELPI) and in the size range of 3-50 nm (mobility diameter) by Scanning Mobility Particle Sizer (SMPS), total number concentration of particles larger than 3 nm detected by an ultrafine condensation particle counter (UCPC), temperature, relative humidity, wind speed and direction, driving route of the mobile laboratory, and traffic density on the studied road. In this study, we have compared measured concentration data with the predictions of the road network dispersion model CAR-FMI used in combination with an aerosol process model MONO32. For model comparison purposes, one of the cases was additionally computed using the aerosol process model UHMA, combined with the CAR-FMI model. The vehicular exhaust emissions, and atmospheric dispersion and transformation of fine and ultrafine particles was evaluated within the distance scale of 200 m (corresponding to a time scale of a couple of minutes). We computed the temporal evolution of the number concentrations, size distributions and chemical compositions of various particle size classes. The atmospheric dilution rate of particles is obtained from the roadside dispersion model CAR-FMI. Considering the evolution of total number concentration, dilution was shown to be the most important process. The influence of coagulation and condensation on the number concentrations of particle size modes was found to be negligible on this distance scale. Condensation was found to affect the evolution of particle diameter in the two smallest particle modes. The assumed value of the concentration of condensable organic vapour of 1012 molecules cm-3 was shown to be in a disagreement with the measured particle size evolution, while the modelling runs with the concentration of condensable organic vapour of 109-1010 molecules cm-3 resulted in particle sizes that were closest to the measured values.

Size dependence of second-harmonic generation at the surface of microspheres

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

Viarbitskaya, Sviatlana; Meulen, Peter van der; Hansson, Tony

2010-05-15

The resonance-enhanced surface second-harmonic generation (SHG) from a suspension of polystyrene microspheres was investigated as a function of particle size in a range of the order of the fundamental wavelength for two different second-harmonic-enhancing dyes--malachite green and pyridine 1. The two dyes gave the same strongly modulated pattern of the forward second-harmonic scattering efficiency. Direct comparison to the nonlinear Rayleigh-Gans-Debye (NLRGD) and nonlinear Wentzel-Kramers-Brillouin (NLWKB) model predictions showed that the NLWKB model reproduces the overall trend in the size dependence but fails with respect to the strong modulations. The standard NLRGD model was found to fail altogether in the presentmore » particle size range, which was well beyond the observed upper particle size for which the NLRGD and NLWKB models give comparable results. A generalization of the NLRGD model to allow for dispersion and to use the particle refractive indices instead of those of the surrounding medium extended its applicability range by almost an order of magnitude in particle size. There is a pronounced maximal SHG efficiency for particles with a radius that is close to the fundamental wavelength inside the particle. The optically soft particle approximation is inadequate to describe the SHG in this particle size range, as refraction and reflection of the waves at the particle surface have a decisive influence. Dispersion of the media plays a negligible role for particle sizes up to about twice the optimal one for SHG.« less

Effect of natural particles on the transport of lindane in saturated porous media: Laboratory experiments and model-based analysis

NASA Astrophysics Data System (ADS)

Ngueleu, Stéphane K.; Grathwohl, Peter; Cirpka, Olaf A.

2013-06-01

Colloidal particles can act as carriers for adsorbing pollutants, such as hydrophobic organic pollutants, and enhance their mobility in the subsurface. In this study, we investigate the influence of colloidal particles on the transport of pesticides through saturated porous media by column experiments. We also investigate the effect of particle size on this transport. The model pesticide is lindane (gamma-hexachlorocyclohexane), a representative hydrophobic insecticide which has been banned in 2009 but is still used in many developing countries. The breakthrough curves are analyzed with the help of numerical modeling, in which we examine the minimum model complexity needed to simulate such transport. The transport of lindane without particles can be described by advective-dispersive transport coupled to linear three-site sorption, one site being in local equilibrium and the others undergoing first-order kinetic sorption. In the presence of mobile particles, the total concentration of mobile lindane is increased, that is, lindane is transported not only in aqueous solution but also sorbed onto the smallest, mobile particles. The models developed to simulate separate and associated transport of lindane and the particles reproduced the measurements very well and showed that the adsorption/desorption of lindane to the particles could be expressed by a common first-order rate law, regardless whether the particles are mobile, attached, or strained.

A MODEL FOR FINE PARTICLE AGGLOMERATION IN CIRCULATING FLUIDIZED BED ABSORBERS

EPA Science Inventory

A model for fine particle agglomeration in circulating fluidized bed absorbers (CFBAS) has been developed. It can model the influence of different factors on agglomeration, such as the geometry of CFBAs, superficial gas velocity, initial particle size distribution, and type of ag...

Surface charge accumulation of particles containing radionuclides in open air

DOE PAGES

Kim, Yong-ha; Yiacoumi, Sotira; Tsouris, Costas

2015-05-01

Radioactivity can induce charge accumulation on radioactive particles. But, electrostatic interactions caused by radioactivity are typically neglected in transport modeling of radioactive plumes because it is assumed that ionizing radiation leads to charge neutralization. The assumption that electrostatic interactions caused by radioactivity are negligible is evaluated here by examining charge accumulation and neutralization on particles containing radionuclides in open air. Moreover, a charge-balance model is employed to predict charge accumulation on radioactive particles. It is shown that particles containing short-lived radionuclides can be charged with multiple elementary charges through radioactive decay. The presence of radioactive particles can significantly modify themore » particle charge distribution in open air and yield an asymmetric bimodal charge distribution, suggesting that strong electrostatic particle interactions may occur during short- and long-range transport of radioactive particles. Possible effects of transported radioactive particles on electrical properties of the local atmosphere are reported. Our study offers insight into transport characteristics of airborne radionuclides. Results are useful in atmospheric transport modeling of radioactive plumes.« less

Shear thinning in soft particle suspensions

NASA Astrophysics Data System (ADS)

Voudouris, Panayiotis; van der Zanden, Berco; Florea, Daniel; Fahimi, Zahra; Wyss, Hans

2012-02-01

Suspensions of soft deformable particles are encountered in a wide range of food and biological materials. Examples are biological cells, micelles, vesicles or microgel particles. While the behavior of suspenions of hard spheres - the classical model system of colloid science - is reasonably well understood, a full understanding of these soft particle suspensions remains elusive. The relation between single particle properties and macroscopic mechanical behavior still remains poorly understood in these materials. Here we examine the surprising shear thinning behavior that is observed in soft particle suspensions as a function of particle softness. We use poly-N-isopropylacrylamide (p-NIPAM) microgel particles as a model system to study this effect in detail. These soft spheres show significant shear thinning even at very large Peclet numbers, where this would not be observed for hard particles. The degree of shear thinning is directly related to the single particle elastic properties, which we characterize by the recently developed Capillary Micromechanics technique. We present a simple model that qualitatively accounts for the observed behavior.

Two-structured solid particle model for predicting and analyzing supercritical extraction performance.

PubMed

Samadi, Sara; Vaziri, Behrooz Mahmoodzadeh

2017-07-14

Solid extraction process, using the supercritical fluid, is a modern science and technology, which has come in vogue regarding its considerable advantages. In the present article, a new and comprehensive model is presented for predicting the performance and separation yield of the supercritical extraction process. The base of process modeling is partial differential mass balances. In the proposed model, the solid particles are considered twofold: (a) particles with intact structure, (b) particles with destructed structure. A distinct mass transfer coefficient has been used for extraction of each part of solid particles to express different extraction regimes and to evaluate the process accurately (internal mass transfer coefficient was used for the intact-structure particles and external mass transfer coefficient was employed for the destructed-structure particles). In order to evaluate and validate the proposed model, the obtained results from simulations were compared with two series of available experimental data for extraction of chamomile extract with supercritical carbon dioxide, which had an excellent agreement. This is indicative of high potentiality of the model in predicting the extraction process, precisely. In the following, the effect of major parameters on supercritical extraction process, like pressure, temperature, supercritical fluid flow rate, and the size of solid particles was evaluated. The model can be used as a superb starting point for scientific and experimental applications. Copyright © 2017 Elsevier B.V. All rights reserved.

Kinetic model for the mechanical response of suspensions of sponge-like particles.

PubMed

Hütter, Markus; Faber, Timo J; Wyss, Hans M

2012-01-01

A dynamic two-scale model is developed that describes the stationary and transient mechanical behavior of concentrated suspensions made of highly porous particles. Particularly, we are interested in particles that not only deform elastically, but also can swell or shrink by taking up or expelling the viscous solvent from their interior, leading to rate-dependent deformability of the particles. The fine level of the model describes the evolution of particle centers and their current sizes, while the shapes are at present not taken into account. The versatility of the model permits inclusion of density- and temperature-dependent particle interactions, and hydrodynamic interactions, as well as to implement insight into the mechanism of swelling and shrinking. The coarse level of the model is given in terms of macroscopic hydrodynamics. The two levels are mutually coupled, since the flow changes the particle configuration, while in turn the configuration gives rise to stress contributions, that eventually determine the macroscopic mechanical properties of the suspension. Using a thermodynamic procedure for the model development, it is demonstrated that the driving forces for position change and for size change are derived from the same potential energy. The model is translated into a form that is suitable for particle-based Brownian dynamics simulations for performing rheological tests. Various possibilities for connection with experiments, e.g. rheological and structural, are discussed.

On the modeling of the 2010 Gulf of Mexico Oil Spill

NASA Astrophysics Data System (ADS)

Mariano, A. J.; Kourafalou, V. H.; Srinivasan, A.; Kang, H.; Halliwell, G. R.; Ryan, E. H.; Roffer, M.

2011-09-01

Two oil particle trajectory forecasting systems were developed and applied to the 2010 Deepwater Horizon Oil Spill in the Gulf of Mexico. Both systems use ocean current fields from high-resolution numerical ocean circulation model simulations, Lagrangian stochastic models to represent unresolved sub-grid scale variability to advect oil particles, and Monte Carlo-based schemes for representing uncertain biochemical and physical processes. The first system assumes two-dimensional particle motion at the ocean surface, the oil is in one state, and the particle removal is modeled as a Monte Carlo process parameterized by a one number removal rate. Oil particles are seeded using both initial conditions based on observations and particles released at the location of the Maconda well. The initial conditions (ICs) of oil particle location for the two-dimensional surface oil trajectory forecasts are based on a fusing of all available information including satellite-based analyses. The resulting oil map is digitized into a shape file within which a polygon filling software generates longitude and latitude with variable particle density depending on the amount of oil present in the observations for the IC. The more complex system assumes three (light, medium, heavy) states for the oil, each state has a different removal rate in the Monte Carlo process, three-dimensional particle motion, and a particle size-dependent oil mixing model. Simulations from the two-dimensional forecast system produced results that qualitatively agreed with the uncertain "truth" fields. These simulations validated the use of our Monte Carlo scheme for representing oil removal by evaporation and other weathering processes. Eulerian velocity fields for predicting particle motion from data-assimilative models produced better particle trajectory distributions than a free running model with no data assimilation. Monte Carlo simulations of the three-dimensional oil particle trajectory, whose ensembles were generated by perturbing the size of the oil particles and the fraction in a given size range that are released at depth, the two largest unknowns in this problem. 36 realizations of the model were run with only subsurface oil releases. An average of these results yields that after three months, about 25% of the oil remains in the water column and that most of the oil is below 800 m.

Computational modeling of nanoscale and microscale particle deposition, retention and dosimetry in the mouse respiratory tract.

PubMed

Asgharian, B; Price, O T; Oldham, M; Chen, Lung-Chi; Saunders, E L; Gordon, T; Mikheev, V B; Minard, K R; Teeguarden, J G

2014-12-01

Comparing effects of inhaled particles across rodent test systems and between rodent test systems and humans is a key obstacle to the interpretation of common toxicological test systems for human risk assessment. These comparisons, correlation with effects and prediction of effects, are best conducted using measures of tissue dose in the respiratory tract. Differences in lung geometry, physiology and the characteristics of ventilation can give rise to differences in the regional deposition of particles in the lung in these species. Differences in regional lung tissue doses cannot currently be measured experimentally. Regional lung tissue dosimetry can however be predicted using models developed for rats, monkeys, and humans. A computational model of particle respiratory tract deposition and clearance was developed for BALB/c and B6C3F1 mice, creating a cross-species suite of available models for particle dosimetry in the lung. Airflow and particle transport equations were solved throughout the respiratory tract of these mice strains to obtain temporal and spatial concentration of inhaled particles from which deposition fractions were determined. Particle inhalability (Inhalable fraction, IF) and upper respiratory tract (URT) deposition were directly related to particle diffusive and inertial properties. Measurements of the retained mass at several post-exposure times following exposure to iron oxide nanoparticles, micro- and nanoscale C60 fullerene, and nanoscale silver particles were used to calibrate and verify model predictions of total lung dose. Interstrain (mice) and interspecies (mouse, rat and human) differences in particle inhalability, fractional deposition and tissue dosimetry are described for ultrafine, fine and coarse particles.

Component-specific, cigarette particle deposition modeling in the human respiratory tract

PubMed Central

Price, Owen T.; Yurteri, Caner U.; Dickens, Colin; McAughey, John

2014-01-01

Inhalation of cigarette smoke particles (CSP) leads to adverse health effects in smokers. Determination of the localized dose to the lung of the inhaled smoke aids in determining vulnerable sites, and identifying components of the smoke that may be responsible for the adverse effects; thus providing a roadmap for harm reduction of cigarette smoking. A particle deposition model specific to CSP was developed for the oral cavity and the lung by accounting for cigarette particle size growth by hygroscopicity, phase change and coagulation. In addition, since the cigarette puff enters the respiratory tract as a dense cloud, the cloud effect on particle drag and deposition was accounted for in the deposition model. Models of particle losses in the oral cavities were developed during puff drawing and subsequent mouth-hold. Cigarette particles were found to grow by hygroscopicity and coagulation, but to shrink as a result of nicotine evaporation. The particle size reached a plateau beyond which any disturbances in the environmental conditions caused the various mechanisms to balance each other out and the particle size remain stable. Predicted particle deposition considering the cloud effects was greater than when treated as a collection of non-interacting particles (i.e. no cloud effects). Accounting for cloud movement provided the necessary physical mechanism to explain the greater than expected, experimentally observed and particle deposition. The deposition model for CSP can provide the necessary input to determine the fate of inhaled CSP in the lung. The knowledge of deposition will be helpful for health assessment and identification and reduction of harmful components of CSP. PMID:24354791

Hydrodynamic interaction of a self-propelling particle with a wall : Comparison between an active Janus particle and a squirmer model.

PubMed

Shen, Zaiyi; Würger, Alois; Lintuvuori, Juho S

2018-03-27

Using lattice Boltzmann simulations we study the hydrodynamics of an active spherical particle near a no-slip wall. We develop a computational model for an active Janus particle, by considering different and independent mobilities on the two hemispheres and compare the behaviour to a standard squirmer model. We show that the topology of the far-field hydrodynamic nature of the active Janus particle is similar to the standard squirmer model, but in the near-field the hydrodynamics differ. In order to study how the near-field effects affect the interaction between the particle and a flat wall, we compare the behaviour of a Janus swimmer and a squirmer near a no-slip surface via extensive numerical simulations. Our results show generally a good agreement between these two models, but they reveal some key differences especially with low magnitudes of the squirming parameter [Formula: see text]. Notably the affinity of the particles to be trapped at a surface is increased for the active Janus particles when compared to standard squirmers. Finally, we find that when the particle is trapped on the surface, the velocity parallel to the surface exceeds the bulk swimming speed and scales linearly with [Formula: see text].

Explicit simulation of ice particle habits in a Numerical Weather Prediction Model

NASA Astrophysics Data System (ADS)

Hashino, Tempei

2007-05-01

This study developed a scheme for explicit simulation of ice particle habits in Numerical Weather Prediction (NWP) Models. The scheme is called Spectral Ice Habit Prediction System (SHIPS), and the goal is to retain growth history of ice particles in the Eulerian dynamics framework. It diagnoses characteristics of ice particles based on a series of particle property variables (PPVs) that reflect history of microphysieal processes and the transport between mass bins and air parcels in space. Therefore, categorization of ice particles typically used in bulk microphysical parameterization and traditional bin models is not necessary, so that errors that stem from the categorization can be avoided. SHIPS predicts polycrystals as well as hexagonal monocrystals based on empirically derived habit frequency and growth rate, and simulates the habit-dependent aggregation and riming processes by use of the stochastic collection equation with predicted PPVs. Idealized two dimensional simulations were performed with SHIPS in a NWP model. The predicted spatial distribution of ice particle habits and types, and evolution of particle size distributions showed good quantitative agreement with observation This comprehensive model of ice particle properties, distributions, and evolution in clouds can be used to better understand problems facing wide range of research disciplines, including microphysics processes, radiative transfer in a cloudy atmosphere, data assimilation, and weather modification.

Statistical models for predicting pair dispersion and particle clustering in isotropic turbulence and their applications

NASA Astrophysics Data System (ADS)

Zaichik, Leonid I.; Alipchenkov, Vladimir M.

2009-10-01

The purpose of this paper is twofold: (i) to advance and extend the statistical two-point models of pair dispersion and particle clustering in isotropic turbulence that were previously proposed by Zaichik and Alipchenkov (2003 Phys. Fluids15 1776-87 2007 Phys. Fluids 19, 113308) and (ii) to present some applications of these models. The models developed are based on a kinetic equation for the two-point probability density function of the relative velocity distribution of two particles. These models predict the pair relative velocity statistics and the preferential accumulation of heavy particles in stationary and decaying homogeneous isotropic turbulent flows. Moreover, the models are applied to predict the effect of particle clustering on turbulent collisions, sedimentation and intensity of microwave radiation as well as to calculate the mean filtered subgrid stress of the particulate phase. Model predictions are compared with direct numerical simulations and experimental measurements.

Comparisons of calculated respiratory tract deposition of particles based on the NCRP/ITRI model and the new ICRP66 model

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

Yeh, Hsu-Chi; Phalen, R.F.; Chang, I.

1995-12-01

The National Council on Radiation Protection and Measurements (NCRP) in the United States and the International Commission on Radiological Protection (ICRP) have been independently reviewing and revising respiratory tract dosimetry models for inhaled radioactive aerosols. The newly proposed NCRP respiratory tract dosimetry model represents a significant change in philosophy from the old ICRP Task Group model. The proposed NCRP model describes respiratory tract deposition, clearance, and dosimetry for radioactive substances inhaled by workers and the general public and is expected to be published soon. In support of the NCRP proposed model, ITRI staff members have been developing computer software. Althoughmore » this software is still incomplete, the deposition portion has been completed and can be used to calculate inhaled particle deposition within the respiratory tract for particle sizes as small as radon and radon progeny ({approximately} 1 nm) to particles larger than 100 {mu}m. Recently, ICRP published their new dosimetric model for the respiratory tract, ICRP66. Based on ICRP66, the National Radiological Protection Board of the UK developed PC-based software, LUDEP, for calculating particle deposition and internal doses. The purpose of this report is to compare the calculated respiratory tract deposition of particles using the NCRP/ITRI model and the ICRP66 model, under the same particle size distribution and breathing conditions. In summary, the general trends of the deposition curves for the two models were similar.« less

Particle momentum effects from the detonation of heterogeneous explosives

NASA Astrophysics Data System (ADS)

Frost, D. L.; Ornthanalai, C.; Zarei, Z.; Tanguay, V.; Zhang, F.

2007-06-01

Detonation of a spherical high explosive charge containing solid particles generates a high-speed two-phase flow comprised of a decaying spherical air blast wave together with a rapidly expanding cloud of particles. The particle momentum effects associated with this two-phase flow have been investigated experimentally and numerically for a heterogeneous explosive consisting of a packed bed of inert particles saturated with a liquid explosive. Experimentally, the dispersion of the particles was tracked using flash radiography and high-speed photography. A particle streak gauge was developed to measure the rate of arrival of the particles at various locations. Using a cantilever gauge and a free-piston impulse gauge, it was found that the particle momentum flux provided the primary contribution of the multiphase flow to the near-field impulse applied to a nearby small structure. The qualitative features of the interaction between a particle and the flow field are illustrated using simple models for the particle motion and blast wave dynamics. A more realistic Eulerian two-fluid model for the gas-particle flow and a finite-element model for the structural response of the cantilever gauge are then used to determine the relative contributions of the gas and particles to the loading.

Modeling the C. elegans nematode and its environment using a particle system.

PubMed

Rönkkö, Mauno; Wong, Garry

2008-07-21

A particle system, as understood in computer science, is a novel technique for modeling living organisms in their environment. Such particle systems have traditionally been used for modeling the complex dynamics of fluids and gases. In the present study, a particle system was devised to model the movement and feeding behavior of the nematode Caenorhabditis elegans in three different virtual environments: gel, liquid, and soil. The results demonstrate that distinct movements of the nematode can be attributed to its mechanical interactions with the virtual environment. These results also revealed emergent properties associated with modeling organisms within environment-based systems.

The Influence of Turbulent Coherent Structure on Suspended Sediment Transport

NASA Astrophysics Data System (ADS)

Huang, S. H.; Tsai, C.

2017-12-01

The anomalous diffusion of turbulent sedimentation has received more and more attention in recent years. With the advent of new instruments and technologies, researchers have found that sediment behavior may deviate from Fickian assumptions when particles are heavier. In particle-laden flow, bursting phenomena affects instantaneous local concentrations, and seems to carry suspended particles for a longer distance. Instead of the pure diffusion process in an analogy to Brownian motion, Levy flight which allows particles to move in response to bursting phenomena is suspected to be more suitable for describing particle movement in turbulence. And the fractional differential equation is a potential candidate to improve the concentration profile. However, stochastic modeling (the Differential Chapmen-Kolmogorov Equation) also provides an alternative mathematical framework to describe system transits between different states through diffusion/the jump processes. Within this framework, the stochastic particle tracking model linked with advection diffusion equation is a powerful tool to simulate particle locations in the flow field. By including the jump process to this model, a more comprehensive description for suspended sediment transport can be provided with a better physical insight. This study also shows the adaptability and expandability of the stochastic particle tracking model for suspended sediment transport modeling.

Waste tyre pyrolysis: modelling of a moving bed reactor.

PubMed

Aylón, E; Fernández-Colino, A; Murillo, R; Grasa, G; Navarro, M V; García, T; Mastral, A M

2010-12-01

This paper describes the development of a new model for waste tyre pyrolysis in a moving bed reactor. This model comprises three different sub-models: a kinetic sub-model that predicts solid conversion in terms of reaction time and temperature, a heat transfer sub-model that calculates the temperature profile inside the particle and the energy flux from the surroundings to the tyre particles and, finally, a hydrodynamic model that predicts the solid flow pattern inside the reactor. These three sub-models have been integrated in order to develop a comprehensive reactor model. Experimental results were obtained in a continuous moving bed reactor and used to validate model predictions, with good approximation achieved between the experimental and simulated results. In addition, a parametric study of the model was carried out, which showed that tyre particle heating is clearly faster than average particle residence time inside the reactor. Therefore, this fast particle heating together with fast reaction kinetics enables total solid conversion to be achieved in this system in accordance with the predictive model. Copyright © 2010 Elsevier Ltd. All rights reserved.

Numerical investigation of fluid-particle interactions for embolic stroke

NASA Astrophysics Data System (ADS)

Mukherjee, Debanjan; Padilla, Jose; Shadden, Shawn C.

2016-04-01

Roughly one-third of all strokes are caused by an embolus traveling to a cerebral artery and blocking blood flow in the brain. The objective of this study is to gain a detailed understanding of the dynamics of embolic particles within arteries. Patient computed tomography image is used to construct a three-dimensional model of the carotid bifurcation. An idealized carotid bifurcation model of same vessel diameters was also constructed for comparison. Blood flow velocities and embolic particle trajectories are resolved using a coupled Euler-Lagrange approach. Blood is modeled as a Newtonian fluid, discretized using the finite volume method, with physiologically appropriate inflow and outflow boundary conditions. The embolus trajectory is modeled using Lagrangian particle equations accounting for embolus interaction with blood as well as vessel wall. Both one- and two-way fluid-particle coupling are considered, the latter being implemented using momentum sources augmented to the discretized flow equations. It was observed that for small-to-moderate particle sizes (relative to vessel diameters), the estimated particle distribution ratio—with and without the inclusion of two-way fluid-particle momentum exchange—were found to be similar. The maximum observed differences in distribution ratio with and without the coupling were found to be higher for the idealized bifurcation model. Additionally, the distribution was found to be reasonably matching the volumetric flow distribution for the idealized model, while a notable deviation from volumetric flow was observed in the anatomical model. It was also observed from an analysis of particle path lines that particle interaction with helical flow, characteristic of anatomical vasculature models, could play a prominent role in transport of embolic particle. The results indicate therefore that flow helicity could be an important hemodynamic indicator for analysis of embolus particle transport. Additionally, in the presence of helical flow, and vessel curvature, inclusion of two-way momentum exchange was found to have a secondary effect for transporting small to moderate embolus particles—and one-way coupling could be used as a reasonable approximation, thereby causing substantial savings in computational resources.

Multiscale virtual particle based elastic network model (MVP-ENM) for normal mode analysis of large-sized biomolecules.

PubMed

Xia, Kelin

2017-12-20

In this paper, a multiscale virtual particle based elastic network model (MVP-ENM) is proposed for the normal mode analysis of large-sized biomolecules. The multiscale virtual particle (MVP) model is proposed for the discretization of biomolecular density data. With this model, large-sized biomolecular structures can be coarse-grained into virtual particles such that a balance between model accuracy and computational cost can be achieved. An elastic network is constructed by assuming "connections" between virtual particles. The connection is described by a special harmonic potential function, which considers the influence from both the mass distributions and distance relations of the virtual particles. Two independent models, i.e., the multiscale virtual particle based Gaussian network model (MVP-GNM) and the multiscale virtual particle based anisotropic network model (MVP-ANM), are proposed. It has been found that in the Debye-Waller factor (B-factor) prediction, the results from our MVP-GNM with a high resolution are as good as the ones from GNM. Even with low resolutions, our MVP-GNM can still capture the global behavior of the B-factor very well with mismatches predominantly from the regions with large B-factor values. Further, it has been demonstrated that the low-frequency eigenmodes from our MVP-ANM are highly consistent with the ones from ANM even with very low resolutions and a coarse grid. Finally, the great advantage of MVP-ANM model for large-sized biomolecules has been demonstrated by using two poliovirus virus structures. The paper ends with a conclusion.

Size exclusion deep bed filtration: Experimental and modelling uncertainties

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

Badalyan, Alexander, E-mail: alexander.badalyan@adelaide.edu.au; You, Zhenjiang; Aji, Kaiser

A detailed uncertainty analysis associated with carboxyl-modified latex particle capture in glass bead-formed porous media enabled verification of the two theoretical stochastic models for prediction of particle retention due to size exclusion. At the beginning of this analysis it is established that size exclusion is a dominant particle capture mechanism in the present study: calculated significant repulsive Derjaguin-Landau-Verwey-Overbeek potential between latex particles and glass beads is an indication of their mutual repulsion, thus, fulfilling the necessary condition for size exclusion. Applying linear uncertainty propagation method in the form of truncated Taylor's series expansion, combined standard uncertainties (CSUs) in normalised suspendedmore » particle concentrations are calculated using CSUs in experimentally determined parameters such as: an inlet volumetric flowrate of suspension, particle number in suspensions, particle concentrations in inlet and outlet streams, particle and pore throat size distributions. Weathering of glass beads in high alkaline solutions does not appreciably change particle size distribution, and, therefore, is not considered as an additional contributor to the weighted mean particle radius and corresponded weighted mean standard deviation. Weighted mean particle radius and LogNormal mean pore throat radius are characterised by the highest CSUs among all experimental parameters translating to high CSU in the jamming ratio factor (dimensionless particle size). Normalised suspended particle concentrations calculated via two theoretical models are characterised by higher CSUs than those for experimental data. The model accounting the fraction of inaccessible flow as a function of latex particle radius excellently predicts normalised suspended particle concentrations for the whole range of jamming ratios. The presented uncertainty analysis can be also used for comparison of intra- and inter-laboratory particle size exclusion data.« less

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

Cherkaduvasala, V.; Murphy, D.W.; Ban, H.

Popcorn ash particles are fragments of sintered coal fly ash masses that resemble popcorn in low apparent density. They can travel with the flow in the furnace and settle on key places such as catalyst surfaces. Computational fluid dynamics (CFD) models are often used in the design process to prevent the carryover and settling of these particles on catalysts. Particle size, density, and drag coefficient are the most important aerodynamic parameters needed in CFD modeling of particle flow. The objective of this study was to experimentally determine particle size, shape, apparent density, and drag characteristics for popcorn ash particles frommore » a coal-fired power plant. Particle size and shape were characterized by digital photography in three orthogonal directions and by computer image analysis. Particle apparent density was determined by volume and mass measurements. Particle terminal velocities in three directions were measured in water and each particle was also weighed in air and in water. The experimental data were analyzed and models were developed for equivalent sphere and equivalent ellipsoid with apparent density and drag coefficient distributions. The method developed in this study can be used to characterize the aerodynamic properties of popcorn-like particles.« less

Modeling photoacoustic spectral features of micron-sized particles

NASA Astrophysics Data System (ADS)

Strohm, Eric M.; Gorelikov, Ivan; Matsuura, Naomi; Kolios, Michael C.

2014-10-01

The photoacoustic signal generated from particles when irradiated by light is determined by attributes of the particle such as the size, speed of sound, morphology and the optical absorption coefficient. Unique features such as periodically varying minima and maxima are observed throughout the photoacoustic signal power spectrum, where the periodicity depends on these physical attributes. The frequency content of the photoacoustic signals can be used to obtain the physical attributes of unknown particles by comparison to analytical solutions of homogeneous symmetric geometric structures, such as spheres. However, analytical solutions do not exist for irregularly shaped particles, inhomogeneous particles or particles near structures. A finite element model (FEM) was used to simulate photoacoustic wave propagation from four different particle configurations: a homogeneous particle suspended in water, a homogeneous particle on a reflecting boundary, an inhomogeneous particle with an absorbing shell and non-absorbing core, and an irregularly shaped particle such as a red blood cell. Biocompatible perfluorocarbon droplets, 3-5 μm in diameter containing optically absorbing nanoparticles were used as the representative ideal particles, as they are spherical, homogeneous, optically translucent, and have known physical properties. The photoacoustic spectrum of micron-sized single droplets in suspension and on a reflecting boundary were measured over the frequency range of 100-500 MHz and compared directly to analytical models and the FEM. Good agreement between the analytical model, FEM and measured values were observed for a droplet in suspension, where the spectral minima agreed to within a 3.3 MHz standard deviation. For a droplet on a reflecting boundary, spectral features were correctly reproduced using the FEM but not the analytical model. The photoacoustic spectra from other common particle configurations such as particle with an absorbing shell and a biconcave-shaped red blood cell were also investigated, where unique features in the power spectrum could be used to identify them.

A Closed Parameterization of DNA–Damage by Charged Particles, as a Function of Energy — A Geometrical Approach

PubMed Central

Van den Heuvel, Frank

2014-01-01

Purpose To present a closed formalism calculating charged particle radiation damage induced in DNA. The formalism is valid for all types of charged particles and due to its closed nature is suited to provide fast conversion of dose to DNA-damage. Methods The induction of double strand breaks in DNA–strings residing in irradiated cells is quantified using a single particle model. This leads to a proposal to use the cumulative Cauchy distribution to express the mix of high and low LET type damage probability generated by a single particle. A microscopic phenomenological Monte Carlo code is used to fit the parameters of the model as a function of kinetic energy related to the damage to a DNA molecule embedded in a cell. The model is applied for four particles: electrons, protons, alpha–particles, and carbon ions. A geometric interpretation of this observation using the impact ionization mean free path as a quantifier, allows extension of the model to very low energies. Results The mathematical expression describes the model adequately using a chi–square test (). This applies to all particle types with an almost perfect fit for protons, while the other particles seem to result in some discrepancies at very low energies. The implementation calculating a strict version of the RBE based on complex damage alone is corroborated by experimental data from the measured RBE. The geometric interpretation generates a unique dimensionless parameter for each type of charged particle. In addition, it predicts a distribution of DNA damage which is different from the current models. PMID:25340636

Near-wall effects for momentum, heat and mass transport in gas-particle suspensions at moderate Reynolds numbers

NASA Astrophysics Data System (ADS)

Radl, Stefan; Municchi, Federico; Goniva, Christoph

2016-11-01

Understanding transport phenomena in fluid-particle systems is of primary importance for the design of large-scale equipment, e.g., in the chemical industry. Typically, the analysis of such systems is performed by numerically solving a set of partial differential equations modeling the particle phase and the fluid phase as interpenetrating continua. Such models require a number of closure models that are often constructed via spatial filtering of data obtained from particle-resolved direct numerical simulations (PR-DNS). In the present work we make use of PR-DNS to evaluate corrections to existing closure models. Specifically, we aim on accounting for wall effects on the fluid-particle drag force and the particle-individual Nusselt number. We then propose an improved closure model to be used in particle-unresolved Euler-Lagrange (PU-EL) simulations. We demonstrate that such an advanced closure should account for a dimensionless filter size, as well as a normalized distance from the wall. In addition, we make an attempt to model the filtered fluid velocity profile in wall-bounded suspension flows. The authors acknowledge funding from the European Commission through FP7 Grant Agreement No. 604656, as well as VSC-3 and dcluster.tugraz.at.

A Process-Based Transport-Distance Model of Aeolian Transport

NASA Astrophysics Data System (ADS)

Naylor, A. K.; Okin, G.; Wainwright, J.; Parsons, A. J.

2017-12-01

We present a new approach to modeling aeolian transport based on transport distance. Particle fluxes are based on statistical probabilities of particle detachment and distributions of transport lengths, which are functions of particle size classes. A computational saltation model is used to simulate transport distances over a variety of sizes. These are fit to an exponential distribution, which has the advantages of computational economy, concordance with current field measurements, and a meaningful relationship to theoretical assumptions about mean and median particle transport distance. This novel approach includes particle-particle interactions, which are important for sustaining aeolian transport and dust emission. Results from this model are compared with results from both bulk- and particle-sized-specific transport equations as well as empirical wind tunnel studies. The transport-distance approach has been successfully used for hydraulic processes, and extending this methodology from hydraulic to aeolian transport opens up the possibility of modeling joint transport by wind and water using consistent physics. Particularly in nutrient-limited environments, modeling the joint action of aeolian and hydraulic transport is essential for understanding the spatial distribution of biomass across landscapes and how it responds to climatic variability and change.

Investigation of unsteadiness in Shock-particle cloud interaction: Fully resolved two-dimensional simulation and one-dimensional modeling

NASA Astrophysics Data System (ADS)

Hosseinzadeh-Nik, Zahra; Regele, Jonathan D.

2015-11-01

Dense compressible particle-laden flow, which has a complex nature, exists in various engineering applications. Shock waves impacting a particle cloud is a canonical problem to investigate this type of flow. It has been demonstrated that large flow unsteadiness is generated inside the particle cloud from the flow induced by the shock passage. It is desirable to develop models for the Reynolds stress to capture the energy contained in vortical structures so that volume-averaged models with point particles can be simulated accurately. However, the previous work used Euler equations, which makes the prediction of vorticity generation and propagation innacurate. In this work, a fully resolved two dimensional (2D) simulation using the compressible Navier-Stokes equations with a volume penalization method to model the particles has been performed with the parallel adaptive wavelet-collocation method. The results still show large unsteadiness inside and downstream of the particle cloud. A 1D model is created for the unclosed terms based upon these 2D results. The 1D model uses a two-phase simple low dissipation AUSM scheme (TSLAU) developed by coupled with the compressible two phase kinetic energy equation.

Intercomparison and Evaluation of Global Aerosol Microphysical Properties Among Aerocom Models of a Range of Complexity

NASA Technical Reports Server (NTRS)

Mann, G. W.; Carslaw, K. S.; Reddington, C. L.; Pringle, K. J.; Schulz, M.; Asmi, A.; Spracklen, D. V.; Ridley, D. A.; Woodhouse, M. T.; Lee, L. A.;

Development of land-use regression models for exposure assessment to ultrafine particles in Rome, Italy

NASA Astrophysics Data System (ADS)

Cattani, Giorgio; Gaeta, Alessandra; di Menno di Bucchianico, Alessandro; de Santis, Antonella; Gaddi, Raffaela; Cusano, Mariacarmela; Ancona, Carla; Badaloni, Chiara; Forastiere, Francesco; Gariazzo, Claudio; Sozzi, Roberto; Inglessis, Marco; Silibello, Camillo; Salvatori, Elisabetta; Manes, Fausto; Cesaroni, Giulia; The Viias Study Group

2017-05-01

The health effects of long-term exposure to ultrafine particles (UFPs) are poorly understood. Data on spatial contrasts in ambient ultrafine particles (UFPs) concentrations are needed with fine resolution. This study aimed to assess the spatial variability of total particle number concentrations (PNC, a proxy for UFPs) in the city of Rome, Italy, using land use regression (LUR) models, and the correspondent exposure of population here living. PNC were measured using condensation particle counters at the building facade of 28 homes throughout the city. Three 7-day monitoring periods were carried out during cold, warm and intermediate seasons. Geographic Information System predictor variables, with buffers of varying size, were evaluated to model spatial variations of PNC. A stepwise forward selection procedure was used to develop a "base" linear regression model according to the European Study of Cohorts for Air Pollution Effects project methodology. Other variables were then included in more enhanced models and their capability of improving model performance was evaluated. Four LUR models were developed. Local variation in UFPs in the study area can be largely explained by the ratio of traffic intensity and distance to the nearest major road. The best model (adjusted R2 = 0.71; root mean square error = ±1,572 particles/cm³, leave one out cross validated R2 = 0.68) was achieved by regressing building and street configuration variables against residual from the "base" model, which added 3% more to the total variance explained. Urban green and population density in a 5,000 m buffer around each home were also relevant predictors. The spatial contrast in ambient PNC across the large conurbation of Rome, was successfully assessed. The average exposure of subjects living in the study area was 16,006 particles/cm³ (SD 2165 particles/cm³, range: 11,075-28,632 particles/cm³). A total of 203,886 subjects (16%) lives in Rome within 50 m from a high traffic road and they experience the highest exposure levels (18,229 particles/cm³). The results will be used to estimate the long-term health effects of ultrafine particle exposure of participants in Rome.

Nonlinear data assimilation using synchronization in a particle filter

NASA Astrophysics Data System (ADS)

Rodrigues-Pinheiro, Flavia; Van Leeuwen, Peter Jan

2017-04-01

Current data assimilation methods still face problems in strongly nonlinear cases. A promising solution is a particle filter, which provides a representation of the model probability density function by a discrete set of particles. However, the basic particle filter does not work in high-dimensional cases. The performance can be improved by considering the proposal density freedom. A potential choice of proposal density might come from the synchronisation theory, in which one tries to synchronise the model with the true evolution of a system using one-way coupling via the observations. In practice, an extra term is added to the model equations that damps growth of instabilities on the synchronisation manifold. When only part of the system is observed synchronization can be achieved via a time embedding, similar to smoothers in data assimilation. In this work, two new ideas are tested. First, ensemble-based time embedding, similar to an ensemble smoother or 4DEnsVar is used on each particle, avoiding the need for tangent-linear models and adjoint calculations. Tests were performed using Lorenz96 model for 20, 100 and 1000-dimension systems. Results show state-averaged synchronisation errors smaller than observation errors even in partly observed systems, suggesting that the scheme is a promising tool to steer model states to the truth. Next, we combine these efficient particles using an extension of the Implicit Equal-Weights Particle Filter, a particle filter that ensures equal weights for all particles, avoiding filter degeneracy by construction. Promising results will be shown on low- and high-dimensional Lorenz96 models, and the pros and cons of these new ideas will be discussed.

A collision model for grain-resolving simulations of flows over dense, mobile, polydisperse granular sediment beds

DOE PAGES

Biegert, Edward; Vowinckel, Bernhard; Meiburg, Eckart

2017-03-21

We present a collision model for phase-resolved Direct Numerical Simulations of sediment transport that couple the fluid and particles by the Immersed Boundary Method. Typically, a contact model for these types of simulations comprises a lubrication force for particles in close proximity to another solid object, a normal contact force to prevent particles from overlapping, and a tangential contact force to account for friction. Our model extends the work of previous authors to improve upon the time integration scheme to obtain consistent results for particle-wall collisions. Furthermore, we account for polydisperse spherical particles and introduce new criteria to account formore » enduring contact, which occurs in many sediment transport situations. This is done without using arbitrary values for physically-defined parameters and by maintaining the full momentum balance of a particle in enduring contact. Lastly, we validate our model against several test cases for binary particle-wall collisions as well as the collective motion of a sediment bed sheared by a viscous flow, yielding satisfactory agreement with experimental data by various authors.« less

Stochastic many-particle model for LFP electrodes

NASA Astrophysics Data System (ADS)

Guhlke, Clemens; Gajewski, Paul; Maurelli, Mario; Friz, Peter K.; Dreyer, Wolfgang

2018-02-01

In the framework of non-equilibrium thermodynamics, we derive a new model for many-particle electrodes. The model is applied to LiFePO4 (LFP) electrodes consisting of many LFP particles of nanometer size. The phase transition from a lithium-poor to a lithium-rich phase within LFP electrodes is controlled by both different particle sizes and surface fluctuations leading to a system of stochastic differential equations. An explicit relation between battery voltage and current controlled by the thermodynamic state variables is derived. This voltage-current relation reveals that in thin LFP electrodes lithium intercalation from the particle surfaces into the LFP particles is the principal rate-limiting process. There are only two constant kinetic parameters in the model describing the intercalation rate and the fluctuation strength, respectively. The model correctly predicts several features of LFP electrodes, viz. the phase transition, the observed voltage plateaus, hysteresis and the rate-limiting capacity. Moreover we study the impact of both the particle size distribution and the active surface area on the voltage-charge characteristics of the electrode. Finally we carefully discuss the phase transition for varying charging/discharging rates.

A battery model that enables consideration of realistic anisotropic environment surrounding an active material particle and its application

NASA Astrophysics Data System (ADS)

Lin, Xianke; Lu, Wei

2017-07-01

This paper proposes a model that enables consideration of the realistic anisotropic environment surrounding an active material particle by incorporating both diffusion and migration of lithium ions and electrons in the particle. This model makes it possible to quantitatively evaluate effects such as fracture on capacity degradation. In contrast, the conventional model assumes isotropic environment and only considers diffusion in the active particle, which cannot capture the effect of fracture since it would predict results contradictory to experimental observations. With the developed model we have investigated the effects of active material electronic conductivity, particle size, and State of Charge (SOC) swing window when fracture exists. The study shows that the low electronic conductivity of active material has a significant impact on the lithium ion pattern. Fracture increases the resistance for electron transport and therefore reduces lithium intercalation/deintercalation. Particle size plays an important role in lithium ion transport. Smaller particle size is preferable for mitigating capacity loss when fracture happens. The study also shows that operating at high SOC reduces the impact of fracture.

A collision model for grain-resolving simulations of flows over dense, mobile, polydisperse granular sediment beds

NASA Astrophysics Data System (ADS)

Biegert, Edward; Vowinckel, Bernhard; Meiburg, Eckart

2017-07-01

We present a collision model for phase-resolved Direct Numerical Simulations of sediment transport that couple the fluid and particles by the Immersed Boundary Method. Typically, a contact model for these types of simulations comprises a lubrication force for particles in close proximity to another solid object, a normal contact force to prevent particles from overlapping, and a tangential contact force to account for friction. Our model extends the work of previous authors to improve upon the time integration scheme to obtain consistent results for particle-wall collisions. Furthermore, we account for polydisperse spherical particles and introduce new criteria to account for enduring contact, which occurs in many sediment transport situations. This is done without using arbitrary values for physically-defined parameters and by maintaining the full momentum balance of a particle in enduring contact. We validate our model against several test cases for binary particle-wall collisions as well as the collective motion of a sediment bed sheared by a viscous flow, yielding satisfactory agreement with experimental data by various authors.

Modeling magnetic field amplification in nonlinear diffusive shock acceleration

NASA Astrophysics Data System (ADS)

Vladimirov, Andrey

2009-02-01

This research was motivated by the recent observations indicating very strong magnetic fields at some supernova remnant shocks, which suggests in-situ generation of magnetic turbulence. The dissertation presents a numerical model of collisionless shocks with strong amplification of stochastic magnetic fields, self-consistently coupled to efficient shock acceleration of charged particles. Based on a Monte Carlo simulation of particle transport and acceleration in nonlinear shocks, the model describes magnetic field amplification using the state-of-the-art analytic models of instabilities in magnetized plasmas in the presence of non-thermal particle streaming. The results help one understand the complex nonlinear connections between the thermal plasma, the accelerated particles and the stochastic magnetic fields in strong collisionless shocks. Also, predictions regarding the efficiency of particle acceleration and magnetic field amplification, the impact of magnetic field amplification on the maximum energy of accelerated particles, and the compression and heating of the thermal plasma by the shocks are presented. Particle distribution functions and turbulence spectra derived with this model can be used to calculate the emission of observable nonthermal radiation.

The GammeV suite of experimental searches for axion-like particles

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

Steffen, Jason H.; /Fermilab; Upadhye, Amol

2009-08-01

We report on the design and results of the GammeV search for axion-like particles and for chameleon particles. We also discuss plans for an improved experiment to search for chameleon particles, one which is sensitive to both cosmological and power-law chameleon models. Plans for an improved axion-like particle search using coupled resonant cavities are also presented. This experiment will be more sensitive to axion-like particles than stellar astrophysical models or current helioscope experiments.

Interplanetary propagation of flare-associated energetic particles

NASA Technical Reports Server (NTRS)

Masung, L. L.; Earl, J. A.

1978-01-01

A propagation model which combines a Gaussian profile for particle release from the sun, with interplanetary particle densities predicted by focused diffusion, was proposed to explain the propagation history of flare associated energetic particles. This model, which depends on only two parameters, successfully describes the time-intensity profiles of 30 proton and electron events originating from the western hemisphere of the sun. Generally, particles are released from the sun over a finite interval. In almost all events, particle release begins at the time of flare acceleration.

Computer modeling of test particle acceleration at oblique shocks

NASA Technical Reports Server (NTRS)

Decker, Robert B.

1988-01-01

The present evaluation of the basic techniques and illustrative results of charged particle-modeling numerical codes suitable for particle acceleration at oblique, fast-mode collisionless shocks emphasizes the treatment of ions as test particles, calculating particle dynamics through numerical integration along exact phase-space orbits. Attention is given to the acceleration of particles at planar, infinitessimally thin shocks, as well as to plasma simulations in which low-energy ions are injected and accelerated at quasi-perpendicular shocks with internal structure.

An analytical force balance model for dust particles with size up to several Debye lengths

NASA Astrophysics Data System (ADS)

Aussems, D. U. B.; Khrapak, S. A.; Doǧan, I.; van de Sanden, M. C. M.; Morgan, T. W.

2017-11-01

In this study, we developed a revised stationary force balance model for particles in the regime a / λ D < 10 . In contrast to other analytical models, the pressure and dipole force were included too, and for anisotropic plasmas, a novel contribution to the dipole moment was derived. Moreover, the Coulomb logarithm and collection cross-section were modified. The model was applied on a case study where carbon dust is formed near the plasma sheath in the linear plasma device Pilot-PSI. The pressure force and dipole force were found to be significant. By tracing the equilibrium position, the particle radius was determined at which the particle deposits. The obtained particle radius agrees well with the experimentally obtained size and suggests better agreement as compared to the unrevised model.

Effect of work of adhesion on deep bed filtration process

NASA Astrophysics Data System (ADS)

Przekop, Rafał; Jackiewicz, Anna; WoŻniak, Michał; Gradoń, Leon

2016-06-01

Collection of aerosol particles in the particular steps of the technology of their production, and purification of the air at the workplace and atmospheric environment, requires the efficient method of separation of particulate matter from the carrier gas. There are many papers published in last few years in which the deposition of particles on fibrous collectors is considered, Most of them assume that collisions between particle and collector surface is 100% effective. In this work we study the influence of particles and fiber properties on the deposition efficiency. For the purpose of this work the lattice-Boltzmann model describes fluid dynamics, while the solid particle motion is modeled by the Brownian dynamics. The interactions between particles and surface are modelled using energy balanced oscillatory model. The work of adhesion was estimated using Atomic Force Microscopy.

Effect of work of adhesion on deep bed filtration process

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

Przekop, Rafał; Jackiewicz, Anna; Gradoń, Leon

2016-06-08

Collection of aerosol particles in the particular steps of the technology of their production, and purification of the air at the workplace and atmospheric environment, requires the efficient method of separation of particulate matter from the carrier gas. There are many papers published in last few years in which the deposition of particles on fibrous collectors is considered, Most of them assume that collisions between particle and collector surface is 100% effective. In this work we study the influence of particles and fiber properties on the deposition efficiency. For the purpose of this work the lattice-Boltzmann model describes fluid dynamics,more » while the solid particle motion is modeled by the Brownian dynamics. The interactions between particles and surface are modelled using energy balanced oscillatory model. The work of adhesion was estimated using Atomic Force Microscopy.« less

Evaluation of char combustion models: measurement and analysis of variability in char particle size and density

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

Maloney, Daniel J; Monazam, Esmail R; Casleton, Kent H

Char samples representing a range of combustion conditions and extents of burnout were obtained from a well-characterized laminar flow combustion experiment. Individual particles from the parent coal and char samples were characterized to determine distributions in particle volume, mass, and density at different extent of burnout. The data were then compared with predictions from a comprehensive char combustion model referred to as the char burnout kinetics model (CBK). The data clearly reflect the particle- to-particle heterogeneity of the parent coal and show a significant broadening in the size and density distributions of the chars resulting from both devolatilization and combustion.more » Data for chars prepared in a lower oxygen content environment (6% oxygen by vol.) are consistent with zone II type combustion behavior where most of the combustion is occurring near the particle surface. At higher oxygen contents (12% by vol.), the data show indications of more burning occurring in the particle interior. The CBK model does a good job of predicting the general nature of the development of size and density distributions during burning but the input distribution of particle size and density is critical to obtaining good predictions. A significant reduction in particle size was observed to occur as a result of devolatilization. For comprehensive combustion models to provide accurate predictions, this size reduction phenomenon needs to be included in devolatilization models so that representative char distributions are carried through the calculations.« less

Uncertainty quantification in Eulerian-Lagrangian models for particle-laden flows

NASA Astrophysics Data System (ADS)

Fountoulakis, Vasileios; Jacobs, Gustaaf; Udaykumar, Hs

2017-11-01

A common approach to ameliorate the computational burden in simulations of particle-laden flows is to use a point-particle based Eulerian-Lagrangian model, which traces individual particles in their Lagrangian frame and models particles as mathematical points. The particle motion is determined by Stokes drag law, which is empirically corrected for Reynolds number, Mach number and other parameters. The empirical corrections are subject to uncertainty. Treating them as random variables renders the coupled system of PDEs and ODEs stochastic. An approach to quantify the propagation of this parametric uncertainty to the particle solution variables is proposed. The approach is based on averaging of the governing equations and allows for estimation of the first moments of the quantities of interest. We demonstrate the feasibility of our proposed methodology of uncertainty quantification of particle-laden flows on one-dimensional linear and nonlinear Eulerian-Lagrangian systems. This research is supported by AFOSR under Grant FA9550-16-1-0008.

An experimental and theoretical investigation on torrefaction of a large wet wood particle.

PubMed

Basu, Prabir; Sadhukhan, Anup Kumar; Gupta, Parthapratim; Rao, Shailendra; Dhungana, Alok; Acharya, Bishnu

2014-05-01

A competitive kinetic scheme representing primary and secondary reactions is proposed for torrefaction of large wet wood particles. Drying and diffusive, convective and radiative mode of heat transfer is considered including particle shrinking during torrefaction. The model prediction compares well with the experimental results of both mass fraction residue and temperature profiles for biomass particles. The effect of temperature, residence time and particle size on torrefaction of cylindrical wood particles is investigated through model simulations. For large biomass particles heat transfer is identified as one of the controlling factor for torrefaction. The optimum torrefaction temperature, residence time and particle size are identified. The model may thus be integrated with CFD analysis to estimate the performance of an existing torrefier for a given feedstock. The performance analysis may also provide useful insight for design and development of an efficient torrefier. Copyright © 2014 Elsevier Ltd. All rights reserved.

A modified Brownian force for ultrafine particle penetration through building crack modeling

NASA Astrophysics Data System (ADS)

Chen, Chen; Zhao, Bin

2017-12-01

Combustion processes related to industry, traffic, agriculture, and waste treatment and disposal increase the amount of outdoor ultrafine particles (UFPs), which have adverse effects on human health. Given that people spend the majority of their time indoors, it is critical to understand the penetration of outdoor UFPs through building cracks in order to estimate human exposure to outdoor-originated UFPs. Lagrangian tracking is an efficient approach for modeling particle penetration. However, the Brownian motion for Lagrangian tracking in ANSYS Fluent®, a widely used software for particle dispersion modeling, is not able to model UFP dispersion accurately. In this study, we modified the Brownian force by rewriting the Brownian diffusion coefficient and particle integration time step with a user-defined function in ANSYS Fluent® to model particle penetration through building cracks. The results obtained using the modified model agree much better with the experimental results, with the averaged relative error less than 14% for the smooth crack cases and 21% for the rough crack case. We expect the modified Brownian force model proposed herein to be applied for UFP dispersion modeling in more indoor air quality studies.

Physical Investigations of Small Particles: (I) Aerosol Particle Charging and Flux Enhancement and (II) Whispering Gallery Mode Sensing

NASA Astrophysics Data System (ADS)

Lopez-Yglesias, Xerxes

Part I: Particles are a key feature of planetary atmospheres. On Earth they represent the greatest source of uncertainty in the global energy budget. This uncertainty can be addressed by making more measurement, by improving the theoretical analysis of measurements, and by better modeling basic particle nucleation and initial particle growth within an atmosphere. This work will focus on the latter two methods of improvement. Uncertainty in measurements is largely due to particle charging. Accurate descriptions of particle charging are challenging because one deals with particles in a gas as opposed to a vacuum, so different length scales come into play. Previous studies have considered the effects of transition between the continuum and kinetic regime and the effects of two and three body interactions within the kinetic regime. These studies, however, use questionable assumptions about the charging process which resulted in skewed observations, and bias in the proposed dynamics of aerosol particles. These assumptions affect both the ions and particles in the system. Ions are assumed to be point monopoles that have a single characteristic speed rather than follow a distribution. Particles are assumed to be perfect conductors that have up to five elementary charges on them. The effects of three body interaction, ion-molecule-particle, are also overestimated. By revising this theory so that the basic physical attributes of both ions and particles and their interactions are better represented, we are able to make more accurate predictions of particle charging in both the kinetic and continuum regimes. The same revised theory that was used above to model ion charging can also be applied to the flux of neutral vapor phase molecules to a particle or initial cluster. Using these results we can model the vapor flux to a neutral or charged particle due to diffusion and electromagnetic interactions. In many classical theories currently applied to these models, the finite size of the molecule and the electromagnetic interaction between the molecule and particle, especially for the neutral particle case, are completely ignored, or, as is often the case for a permanent dipole vapor species, strongly underestimated. Comparing our model to these classical models we determine an "enhancement factor" to characterize how important the addition of these physical parameters and processes is to the understanding of particle nucleation and growth. Part II: Whispering gallery mode (WGM) optical biosensors are capable of extraordinarily sensitive specific and non-specific detection of species suspended in a gas or fluid. Recent experimental results suggest that these devices may attain single-molecule sensitivity to protein solutions in the form of stepwise shifts in their resonance wavelength, lambdaR, but present sensor models predict much smaller steps than were reported. This study examines the physical interaction between a WGM sensor and a molecule adsorbed to its surface, exploring assumptions made in previous efforts to model WGM sensor behavior, and describing computational schemes that model the experiments for which single protein sensitivity was reported. The resulting model is used to simulate sensor performance, within constraints imposed by the limited material property data. On this basis, we conclude that nonlinear optical effects would be needed to attain the reported sensitivity, and that, in the experiments for which extreme sensitivity was reported, a bound protein experiences optical energy fluxes too high for such effects to be ignored.

Investigation of ice particle habits to be used for ice cloud remote sensing for the GCOM-C satellite mission

NASA Astrophysics Data System (ADS)

Letu, Husi; Ishimoto, Hiroshi; Riedi, Jerome; Nakajima, Takashi Y.; -Labonnote, Laurent C.; Baran, Anthony J.; Nagao, Takashi M.; Sekiguchi, Miho

2016-09-01

In this study, various ice particle habits are investigated in conjunction with inferring the optical properties of ice clouds for use in the Global Change Observation Mission-Climate (GCOM-C) satellite programme. We develop a database of the single-scattering properties of five ice habit models: plates, columns, droxtals, bullet rosettes, and Voronoi. The database is based on the specification of the Second Generation Global Imager (SGLI) sensor on board the GCOM-C satellite, which is scheduled to be launched in 2017 by the Japan Aerospace Exploration Agency. A combination of the finite-difference time-domain method, the geometric optics integral equation technique, and the geometric optics method is applied to compute the single-scattering properties of the selected ice particle habits at 36 wavelengths, from the visible to the infrared spectral regions. This covers the SGLI channels for the size parameter, which is defined as a single-particle radius of an equivalent volume sphere, ranging between 6 and 9000 µm. The database includes the extinction efficiency, absorption efficiency, average geometrical cross section, single-scattering albedo, asymmetry factor, size parameter of a volume-equivalent sphere, maximum distance from the centre of mass, particle volume, and six nonzero elements of the scattering phase matrix. The characteristics of calculated extinction efficiency, single-scattering albedo, and asymmetry factor of the five ice particle habits are compared. Furthermore, size-integrated bulk scattering properties for the five ice particle habit models are calculated from the single-scattering database and microphysical data. Using the five ice particle habit models, the optical thickness and spherical albedo of ice clouds are retrieved from the Polarization and Directionality of the Earth's Reflectances-3 (POLDER-3) measurements, recorded on board the Polarization and Anisotropy of Reflectances for Atmospheric Sciences coupled with Observations from a Lidar (PARASOL) satellite. The optimal ice particle habit for retrieving the SGLI ice cloud properties is investigated by adopting the spherical albedo difference (SAD) method. It is found that the SAD is distributed stably due to the scattering angle increases for bullet rosettes with an effective diameter (Deff) of 10 µm and Voronoi particles with Deff values of 10, 60, and 100 µm. It is confirmed that the SAD of small bullet-rosette particles and all sizes of Voronoi particles has a low angular dependence, indicating that a combination of the bullet-rosette and Voronoi models is sufficient for retrieval of the ice cloud's spherical albedo and optical thickness as effective habit models for the SGLI sensor. Finally, SAD analysis based on the Voronoi habit model with moderate particle size (Deff = 60 µm) is compared with the conventional general habit mixture model, inhomogeneous hexagonal monocrystal model, five-plate aggregate model, and ensemble ice particle model. The Voronoi habit model is found to have an effect similar to that found in some conventional models for the retrieval of ice cloud properties from space-borne radiometric observations.

Importance of aggregation and small ice crystals in cirrus clouds, based on observations and an ice particle growth model

NASA Technical Reports Server (NTRS)

Mitchell, David L.; Chai, Steven K.; Dong, Yayi; Arnott, W. Patrick; Hallett, John

1993-01-01

The 1 November 1986 FIRE I case study was used to test an ice particle growth model which predicts bimodal size spectra in cirrus clouds. The model was developed from an analytically based model which predicts the height evolution of monomodal ice particle size spectra from the measured ice water content (IWC). Size spectra from the monomodal model are represented by a gamma distribution, N(D) = N(sub o)D(exp nu)exp(-lambda D), where D = ice particle maximum dimension. The slope parameter, lambda, and the parameter N(sub o) are predicted from the IWC through the growth processes of vapor diffusion and aggregation. The model formulation is analytical, computationally efficient, and well suited for incorporation into larger models. The monomodal model has been validated against two other cirrus cloud case studies. From the monomodal size spectra, the size distributions which determine concentrations of ice particles less than about 150 mu m are predicted.

Pairwise-interaction extended point-particle model for particle-laden flows

NASA Astrophysics Data System (ADS)

Akiki, G.; Moore, W. C.; Balachandar, S.

2017-12-01

In this work we consider the pairwise interaction extended point-particle (PIEP) model for Euler-Lagrange simulations of particle-laden flows. By accounting for the precise location of neighbors the PIEP model goes beyond local particle volume fraction, and distinguishes the influence of upstream, downstream and laterally located neighbors. The two main ingredients of the PIEP model are (i) the undisturbed flow at any particle is evaluated as a superposition of the macroscale flow and a microscale flow that is approximated as a pairwise superposition of perturbation fields induced by each of the neighboring particles, and (ii) the forces and torque on the particle are then calculated from the undisturbed flow using the Faxén form of the force relation. The computational efficiency of the standard Euler-Lagrange approach is retained, since the microscale perturbation fields induced by a neighbor are pre-computed and stored as PIEP maps. Here we extend the PIEP force model of Akiki et al. [3] with a corresponding torque model to systematically include the effect of perturbation fields induced by the neighbors in evaluating the net torque. Also, we use DNS results from a uniform flow over two stationary spheres to further improve the PIEP force and torque models. We then test the PIEP model in three different sedimentation problems and compare the results against corresponding DNS to assess the accuracy of the PIEP model and improvement over the standard point-particle approach. In the case of two sedimenting spheres in a quiescent ambient the PIEP model is shown to capture the drafting-kissing-tumbling process. In cases of 5 and 80 sedimenting spheres a good agreement is obtained between the PIEP simulation and the DNS. For all three simulations, the DEM-PIEP was able to recreate, to a good extent, the results from the DNS, while requiring only a negligible fraction of the numerical resources required by the fully-resolved DNS.

Predicting airborne particle deposition by a modified Markov chain model for fast estimation of potential contaminant spread

NASA Astrophysics Data System (ADS)

Mei, Xiong; Gong, Guangcai

2018-07-01

As potential carriers of hazardous pollutants, airborne particles may deposit onto surfaces due to gravitational settling. A modified Markov chain model to predict gravity induced particle dispersion and deposition is proposed in the paper. The gravity force is considered as a dominant weighting factor to adjust the State Transfer Matrix, which represents the probabilities of the change of particle spatial distributions between consecutive time steps within an enclosure. The model performance has been further validated by particle deposition in a ventilation chamber and a horizontal turbulent duct flow in pre-existing literatures. Both the proportion of deposited particles and the dimensionless deposition velocity are adopted to characterize the validation results. Comparisons between our simulated results and the experimental data from literatures show reasonable accuracy. Moreover, it is also found that the dimensionless deposition velocity can be remarkably influenced by particle size and stream-wise velocity in a typical horizontal flow. This study indicates that the proposed model can predict the gravity-dominated airborne particle deposition with reasonable accuracy and acceptable computing time.

Approximation of a radial diffusion model with a multiple-rate model for hetero-disperse particle mixtures

PubMed Central

Ju, Daeyoung; Young, Thomas M.; Ginn, Timothy R.

2012-01-01

An innovative method is proposed for approximation of the set of radial diffusion equations governing mass exchange between aqueous bulk phase and intra-particle phase for a hetero-disperse mixture of particles such as occur in suspension in surface water, in riverine/estuarine sediment beds, in soils and in aquifer materials. For this purpose the temporal variation of concentration at several uniformly distributed points within a normalized representative particle with spherical, cylindrical or planar shape is fitted with a 2-domain linear reversible mass exchange model. The approximation method is then superposed in order to generalize the model to a hetero-disperse mixture of particles. The method can reduce the computational effort needed in solving the intra-particle mass exchange of a hetero-disperse mixture of particles significantly and also the error due to the approximation is shown to be relatively small. The method is applied to describe desorption batch experiment of 1,2-Dichlorobenzene from four different soils with known particle size distributions and it could produce good agreement with experimental data. PMID:18304692

A Core-Particle Model for Periodically Focused Ion Beams with Intense Space-Charge

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

Lund, S M; Barnard, J J; Bukh, B

2006-08-02

A core-particle model is derived to analyze transverse orbits of test particles evolving in the presence of a core ion beam described by the KV distribution. The core beam has uniform density within an elliptical cross-section and can be applied to model both quadrupole and solenoidal focused beams in periodic or aperiodic lattices. Efficient analytical descriptions of electrostatic space-charge fields external to the beam core are derived to simplify model equations. Image charge effects are analyzed for an elliptical beam centered in a round, conducting pipe to estimate model corrections resulting from image charge nonlinearities. Transformations are employed to removemore » coherent utter motion associated with oscillations of the ion beam core due to rapidly varying, linear applied focusing forces. Diagnostics for particle trajectories, Poincare phase-space projections, and single-particle emittances based on these transformations better illustrate the effects of nonlinear forces acting on particles evolving outside the core. A numerical code has been written based on this model. Example applications illustrate model characteristics. The core-particle model described has recently been applied to identify physical processes leading to space-charge transport limits for an rms matched beam in a periodic quadrupole focusing channel [Lund and Chawla, Nuc. Instr. and Meth. A 561, 203 (2006)]. Further characteristics of these processes are presented here.« less

Application of stochastic weighted algorithms to a multidimensional silica particle model

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

Menz, William J.; Patterson, Robert I.A.; Wagner, Wolfgang

2013-09-01

Highlights: •Stochastic weighted algorithms (SWAs) are developed for a detailed silica model. •An implementation of SWAs with the transition kernel is presented. •The SWAs’ solutions converge to the direct simulation algorithm’s (DSA) solution. •The efficiency of SWAs is evaluated for this multidimensional particle model. •It is shown that SWAs can be used for coagulation problems in industrial systems. -- Abstract: This paper presents a detailed study of the numerical behaviour of stochastic weighted algorithms (SWAs) using the transition regime coagulation kernel and a multidimensional silica particle model. The implementation in the SWAs of the transition regime coagulation kernel and associatedmore » majorant rates is described. The silica particle model of Shekar et al. [S. Shekar, A.J. Smith, W.J. Menz, M. Sander, M. Kraft, A multidimensional population balance model to describe the aerosol synthesis of silica nanoparticles, Journal of Aerosol Science 44 (2012) 83–98] was used in conjunction with this coagulation kernel to study the convergence properties of SWAs with a multidimensional particle model. High precision solutions were calculated with two SWAs and also with the established direct simulation algorithm. These solutions, which were generated using large number of computational particles, showed close agreement. It was thus demonstrated that SWAs can be successfully used with complex coagulation kernels and high dimensional particle models to simulate real-world systems.« less

Retention and Migration of Fine Organic Particles within an Agricultural Stream: Toenepi, Waikato, New Zealand

NASA Astrophysics Data System (ADS)

Drummond, J. D.; Davies-Colley, R.; Stott, R.; Sukias, J.; Nagels, J.; Sharp, A.; Packman, A. I.

2013-12-01

Fine organic particle dynamics are important to stream biogeochemistry, ecology, and transport of contaminant microbes. These particles migrate downstream through a series of deposition and resuspension events, which results in a wide range of residence times. This retention influences biogeochemical processing and in-stream stores of contaminant microbes that may mobilize during flood events and present a hazard to downstream uses such as water supplies and recreation. We are conducting studies to gain insights into organic particle dynamics in streams, with a campaign of experiments and modeling. The results should improve understanding of nutrient (C, N, P) spiraling and fine sediment movement in streams, and have particular application to microbial hazards. We directly measure microbial transport by including the indicator organism, E. coli, as a tracer, which is compared to a fluorescent inert particle tracer and conservative solute to gain insight on both microbial ecology and waterborne disease transmission. We developed a stochastic model to describe the transport and retention of fine suspended particles in rivers, including advective delivery of particles to the streambed, transport through porewaters, and reversible filtration within the streambed. Because fine particles are only episodically transported in streams, with intervening periods at rest in the bed, this transport process violates conventional advection-dispersion assumptions. Instead we adopt a stochastic mobile-immobile model formulation to describe fine particle transport. We apply this model to measurements of particle transport from multiple tracer experiments in an agricultural stream in the Waikato dairy region of New Zealand, and use the model to improve interpretation of baseflow particle dynamics. Our results show the importance of the benthic and hyporheic regions and in-stream vegetation as a reservoir for fine organic particles in streams.

A concentrated solar cavity absorber with direct heat transfer through recirculating metallic particles

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

Sarker, M. R. I., E-mail: islamrabiul@yahoo.com; Saha, Manabendra, E-mail: manabendra.saha@adelaide.edu.au, E-mail: manab04me@gmail.com; Beg, R. A.

A recirculating flow solar particle cavity absorber (receiver) is modeled to investigate the flow behavior and heat transfer characteristics of a novel developing concept. It features a continuous recirculating flow of non-reacting metallic particles (black silicon carbide) with air which are used as a thermal enhancement medium. The aim of the present study is to numerically investigate the thermal behavior and flow characteristics of the proposed concept. The proposed solar particle receiver is modeled using two phase discrete particle model (DPM), RNG k-flow model and discrete ordinate (DO) radiation model. Numerical analysis is carried out considering a solar receiver withmore » only air and the mixture of non-reacting particles and air as a heat transfer as well as heat carrying medium. The parametric investigation is conducted considering the incident solar flux on the receiver aperture and changing air flow rate and recirculation rate inside the receiver. A stand-alone feature of the recirculating flow solar particle receiver concept is that the particles are directly exposed to concentrated solar radiation monotonously through recirculating flow inside the receiver and results in efficient irradiation absorption and convective heat transfer to air that help to achieve high temperature air and consequently increase in thermal efficiency. This paper presents, results from the developed concept and highlights its flow behavior and potential to enhance the heat transfer from metallic particles to air by maximizing heat carrying capacity of the heat transfer medium. The imposed milestones for the present system will be helpful to understand the radiation absorption mechanism of the particles in a recirculating flow based receiver, the thermal transport between the particles, the air and the cavity, and the fluid dynamics of the air and particle in the cavity.« less

Modeling particle dispersion and deposition in indoor environments

NASA Astrophysics Data System (ADS)

Gao, N. P.; Niu, J. L.

Particle dispersion and deposition in man-made enclosed environments are closely related to the well-being of occupants. The present study developed a three-dimensional drift-flux model for particle movements in turbulent indoor airflows, and combined it into Eulerian approaches. To account for the process of particle deposition at solid boundaries, a semi-empirical deposition model was adopted in which the size-dependent deposition characteristics were well resolved. After validation against the experimental data in a scaled isothermal chamber and in a full-scale non-isothermal environmental chamber, the drift-flux model was used to investigate the deposition rates and human exposures to particles from two different sources with three typical ventilation systems: mixing ventilation (MV), displacement ventilation (DV), and under-floor air distribution (UFAD). For particles originating from the supply air, a V-shaped curve of the deposition velocity variation as a function of particle size was observed. The minimum deposition appeared at 0.1- 0.5μm. For supermicron particles, the ventilation type and air exchange rate had an ignorable effect on the deposition rate. The movements of submicron particles were like tracer gases while the gravitational settling effect should be taken into account for particles larger than 2.5μm. The temporal increment of human exposure to a step-up particle release in the supply air was determined, among many factors, by the distance between the occupant and air outlet. The larger the particle size, the lower the human exposure. For particles released from an internal heat source, the concentration stratification of small particles (diameter <10μm) in the vertical direction appeared with DV and UFAD, and it was found the advantageous principle for gaseous pollutants that a relatively less-polluted occupied zone existed in DV and UFAD was also applicable to small particles.

Analysis of Gas-Particle Flows through Multi-Scale Simulations

NASA Astrophysics Data System (ADS)

Gu, Yile

Multi-scale structures are inherent in gas-solid flows, which render the modeling efforts challenging. On one hand, detailed simulations where the fine structures are resolved and particle properties can be directly specified can account for complex flow behaviors, but they are too computationally expensive to apply for larger systems. On the other hand, coarse-grained simulations demand much less computations but they necessitate constitutive models which are often not readily available for given particle properties. The present study focuses on addressing this issue, as it seeks to provide a general framework through which one can obtain the required constitutive models from detailed simulations. To demonstrate the viability of this general framework in which closures can be proposed for different particle properties, we focus on the van der Waals force of interaction between particles. We start with Computational Fluid Dynamics (CFD) - Discrete Element Method (DEM) simulations where the fine structures are resolved and van der Waals force between particles can be directly specified, and obtain closures for stress and drag that are required for coarse-grained simulations. Specifically, we develop a new cohesion model that appropriately accounts for van der Waals force between particles to be used for CFD-DEM simulations. We then validate this cohesion model and the CFD-DEM approach by showing that it can qualitatively capture experimental results where the addition of small particles to gas fluidization reduces bubble sizes. Based on the DEM and CFD-DEM simulation results, we propose stress models that account for the van der Waals force between particles. Finally, we apply machine learning, specifically neural networks, to obtain a drag model that captures the effects from fine structures and inter-particle cohesion. We show that this novel approach using neural networks, which can be readily applied for other closures other than drag here, can take advantage of the large amount of data generated from simulations, and therefore offer superior modeling performance over traditional approaches.

Particle based plasma simulation for an ion engine discharge chamber

NASA Astrophysics Data System (ADS)

Mahalingam, Sudhakar

Design of the next generation of ion engines can benefit from detailed computer simulations of the plasma in the discharge chamber. In this work a complete particle based approach has been taken to model the discharge chamber plasma. This is the first time that simplifying continuum assumptions on the particle motion have not been made in a discharge chamber model. Because of the long mean free paths of the particles in the discharge chamber continuum models are questionable. The PIC-MCC model developed in this work tracks following particles: neutrals, singly charged ions, doubly charged ions, secondary electrons, and primary electrons. The trajectories of these particles are determined using the Newton-Lorentz's equation of motion including the effects of magnetic and electric fields. Particle collisions are determined using an MCC statistical technique. A large number of collision processes and particle wall interactions are included in the model. The magnetic fields produced by the permanent magnets are determined using Maxwell's equations. The electric fields are determined using an approximate input electric field coupled with a dynamic determination of the electric fields caused by the charged particles. In this work inclusion of the dynamic electric field calculation is made possible by using an inflated plasma permittivity value in the Poisson solver. This allows dynamic electric field calculation with minimal computational requirements in terms of both computer memory and run time. In addition, a number of other numerical procedures such as parallel processing have been implemented to shorten the computational time. The primary results are those modeling the discharge chamber of NASA's NSTAR ion engine at its full operating power. Convergence of numerical results such as total number of particles inside the discharge chamber, average energy of the plasma particles, discharge current, beam current and beam efficiency are obtained. Steady state results for the particle number density distributions and particle loss rates to the walls are presented. Comparisons of numerical results with experimental measurements such as currents and the particle number density distributions are made. Results from a parametric study and from an alternative magnetic field design are also given.

Spectral structure of pressure measurements made in a combustion duct. [jet engine noise

NASA Technical Reports Server (NTRS)

Miles, J. H.; Raftopoulos, D. D.

1980-01-01

A model for acoustic plane wave propagation in a combustion duct through a confined, flowing gas containing soot particles is presented. The model takes into account only heat transfer between the gas and soot particles. As a result, the model depends on only a single parameter which can be written as the ratio of the soot particle thermal relaxation time to the soot particle mass fraction. The model yields expressions for the attenuation and dispersion of the plane wave which depends only on this single parameter. The model was used to calculate pressure spectra in a combustion duct. The results were compared with measured spectra. For particular values of the single free parameter, the calculated spectra resemble the measured spectra. Consequently, the model, to this extent, explains the experimental measurements and provides some insight into the number and type of particles.

Suspension concentration distribution in turbulent flows: An analytical study using fractional advection-diffusion equation

NASA Astrophysics Data System (ADS)

Kundu, Snehasis

2018-09-01

In this study vertical distribution of sediment particles in steady uniform turbulent open channel flow over erodible bed is investigated using fractional advection-diffusion equation (fADE). Unlike previous investigations on fADE to investigate the suspension distribution, in this study the modified Atangana-Baleanu-Caputo fractional derivative with a non-singular and non-local kernel is employed. The proposed fADE is solved and an analytical model for finding vertical suspension distribution is obtained. The model is validated against experimental as well as field measurements of Missouri River, Mississippi River and Rio Grande conveyance channel and is compared with the Rouse equation and other fractional model found in literature. A quantitative error analysis shows that the proposed model is able to predict the vertical distribution of particles more appropriately than previous models. The validation results shows that the fractional model can be equally applied to all size of particles with an appropriate choice of the order of the fractional derivative α. It is also found that besides particle diameter, parameter α depends on the mass density of particle and shear velocity of the flow. To predict this parameter, a multivariate regression is carried out and a relation is proposed for easy application of the model. From the results for sand and plastic particles, it is found that the parameter α is more sensitive to mass density than the particle diameter. The rationality of the dependence of α on particle and flow characteristics has been justified physically.

Differential memory in the trilinear model magnetotail

NASA Technical Reports Server (NTRS)

Chen, James; Mitchell, Horage G.; Palmadesso, Peter J.

1990-01-01

The previously proposed concept of 'differential memory' is quantitatively demonstrated using an idealized analytical model of particle dynamics in the magnetotail geometry. In this model (the 'trilinear' tail model) the magnetotail is divided into three regions. The particle orbits are solved exactly in each region, thus reducing the orbit integration to an analytical mapping. It is shown that the trilinear model reproduces the essential phase space features of the earlier model (Chen and Palmadesso, 1986), possessing well-defined entry and exit regions, and stochastic, integrable (regular), and transient orbits, occupying disjoint phase space regions. Different regions have widely separated characteristic time scales corresponding to different types of particle motion. Using the analytical model, the evolution of single-particle distribution functions is calculated.

A numerical study of attraction/repulsion collective behavior models: 3D particle analyses and 1D kinetic simulations

NASA Astrophysics Data System (ADS)

Vecil, Francesco; Lafitte, Pauline; Rosado Linares, Jesús

2013-10-01

We study at particle and kinetic level a collective behavior model based on three phenomena: self-propulsion, friction (Rayleigh effect) and an attractive/repulsive (Morse) potential rescaled so that the total mass of the system remains constant independently of the number of particles N. In the first part of the paper, we introduce the particle model: the agents are numbered and described by their position and velocity. We identify five parameters that govern the possible asymptotic states for this system (clumps, spheres, dispersion, mills, rigid-body rotation, flocks) and perform a numerical analysis on the 3D setting. Then, in the second part of the paper, we describe the kinetic system derived as the limit from the particle model as N tends to infinity; we propose, in 1D, a numerical scheme for the simulations, and perform a numerical analysis devoted to trying to recover asymptotically patterns similar to those emerging for the equivalent particle systems, when particles originally evolved on a circle.

Modeling of Fine-Particle Formation in Turbulent Flames

NASA Astrophysics Data System (ADS)

Raman, Venkat; Fox, Rodney O.

2016-01-01

The generation of nanostructured particles in high-temperature flames is important both for the control of emissions from combustion devices and for the synthesis of high-value chemicals for a variety of applications. The physiochemical processes that lead to the production of fine particles in turbulent flames are highly sensitive to the flow physics and, in particular, the history of thermochemical compositions and turbulent features they encounter. Consequently, it is possible to change the characteristic size, structure, composition, and yield of the fine particles by altering the flow configuration. This review describes the complex multiscale interactions among turbulent fluid flow, gas-phase chemical reactions, and solid-phase particle evolution. The focus is on modeling the generation of soot particles, an unwanted pollutant from automobile and aircraft engines, as well as metal oxides, a class of high-value chemicals sought for specialized applications, including emissions control. Issues arising due to the numerical methods used to approximate the particle number density function, the modeling of turbulence-chemistry interactions, and model validation are also discussed.

Single fiber model of particle retention in an acoustically driven porous mesh.

PubMed

Grossner, Michael T; Penrod, Alan E; Belovich, Joanne M; Feke, Donald L

2003-03-01

A method for the capture of small particles (tens of microns in diameter) from a continuously flowing suspension has recently been reported. This technique relies on a standing acoustic wave resonating in a rectangular chamber filled with a high-porosity mesh. Particles are retained in this chamber via a complex interaction between the acoustic field and the porous mesh. Although the mesh has a pore size two orders of magnitude larger than the particle diameter, collection efficiencies of 90% have been measured. A mathematical model has been developed to understand the experimentally observed phenomena and to be able to predict filtration performance. By examining a small region (a single fiber) of the porous mesh, the model has duplicated several experimental events such as the focusing of particles near an element of the mesh and the levitation of particles within pores. The single-fiber analysis forms the basis of modeling the overall performance of the particle filtration system. Copyright 2002 Elsevier Science B.V.

Numerical simulation of vortex pyrolysis reactors for condensable tar production from biomass

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

Miller, R.S.; Bellan, J.

1998-08-01

A numerical study is performed in order to evaluate the performance and optimal operating conditions of vortex pyrolysis reactors used for condensable tar production from biomass. A detailed mathematical model of porous biomass particle pyrolysis is coupled with a compressible Reynolds stress transport model for the turbulent reactor swirling flow. An initial evaluation of particle dimensionality effects is made through comparisons of single- (1D) and multi-dimensional particle simulations and reveals that the 1D particle model results in conservative estimates for total pyrolysis conversion times and tar collection. The observed deviations are due predominantly to geometry effects while directional effects frommore » thermal conductivity and permeability variations are relatively small. Rapid ablative particle heating rates are attributed to a mechanical fragmentation of the biomass particles that is modeled using a critical porosity for matrix breakup. Optimal thermal conditions for tar production are observed for 900 K. Effects of biomass identity, particle size distribution, and reactor geometry and scale are discussed.« less

Scaling and modeling of turbulent suspension flows

NASA Technical Reports Server (NTRS)

Chen, C. P.

1989-01-01

Scaling factors determining various aspects of particle-fluid interactions and the development of physical models to predict gas-solid turbulent suspension flow fields are discussed based on two-fluid, continua formulation. The modes of particle-fluid interactions are discussed based on the length and time scale ratio, which depends on the properties of the particles and the characteristics of the flow turbulence. For particle size smaller than or comparable with the Kolmogorov length scale and concentration low enough for neglecting direct particle-particle interaction, scaling rules can be established in various parameter ranges. The various particle-fluid interactions give rise to additional mechanisms which affect the fluid mechanics of the conveying gas phase. These extra mechanisms are incorporated into a turbulence modeling method based on the scaling rules. A multiple-scale two-phase turbulence model is developed, which gives reasonable predictions for dilute suspension flow. Much work still needs to be done to account for the poly-dispersed effects and the extension to dense suspension flows.

Volume-weighted particle-tracking method for solute-transport modeling; Implementation in MODFLOW–GWT

USGS Publications Warehouse

Winston, Richard B.; Konikow, Leonard F.; Hornberger, George Z.

2018-02-16

In the traditional method of characteristics for groundwater solute-transport models, advective transport is represented by moving particles that track concentration. This approach can lead to global mass-balance problems because in models of aquifers having complex boundary conditions and heterogeneous properties, particles can originate in cells having different pore volumes and (or) be introduced (or removed) at cells representing fluid sources (or sinks) of varying strengths. Use of volume-weighted particles means that each particle tracks solute mass. In source or sink cells, the changes in particle weights will match the volume of water added or removed through external fluxes. This enables the new method to conserve mass in source or sink cells as well as globally. This approach also leads to potential efficiencies by allowing the number of particles per cell to vary spatially—using more particles where concentration gradients are high and fewer where gradients are low. The approach also eliminates the need for the model user to have to distinguish between “weak” and “strong” fluid source (or sink) cells. The new model determines whether solute mass added by fluid sources in a cell should be represented by (1) new particles having weights representing appropriate fractions of the volume of water added by the source, or (2) distributing the solute mass added over all particles already in the source cell. The first option is more appropriate for the condition of a strong source; the latter option is more appropriate for a weak source. At sinks, decisions whether or not to remove a particle are replaced by a reduction in particle weight in proportion to the volume of water removed. A number of test cases demonstrate that the new method works well and conserves mass. The method is incorporated into a new version of the U.S. Geological Survey’s MODFLOW–GWT solute-transport model.

Thermodynamics and emergent universe

NASA Astrophysics Data System (ADS)

Ghosh, Saumya; Gangopadhyay, Sunandan

2017-05-01

We show that in the isentropic scenario, the first-order thermodynamical particle creation model gives an emergent universe solution even when the chemical potential is nonzero. However, there exists no emergent universe scenario in the second-order non-equilibrium theory for the particle creation model. We then point out a correspondence between the particle creation model with barotropic equation of state and the equation of state giving rise to an emergent universe without particle creation in spatially flat FRW cosmology.

Discrete Element Model for Suppression of Coffee-Ring Effect

NASA Astrophysics Data System (ADS)

Xu, Ting; Lam, Miu Ling; Chen, Ting-Hsuan

2017-02-01

When a sessile droplet evaporates, coffee-ring effect drives the suspended particulate matters to the droplet edge, eventually forming a ring-shaped deposition. Because it causes a non-uniform distribution of solid contents, which is undesired in many applications, attempts have been made to eliminate the coffee-ring effect. Recent reports indicated that the coffee-ring effect can be suppressed by a mixture of spherical and non-spherical particles with enhanced particle-particle interaction at air-water interface. However, a model to comprehend the inter-particulate activities has been lacking. Here, we report a discrete element model (particle system) to investigate the phenomenon. The modeled dynamics included particle traveling following the capillary flow with Brownian motion, and its resultant 3D hexagonal close packing of particles along the contact line. For particles being adsorbed by air-water interface, we modeled cluster growth, cluster deformation, and cluster combination. We found that the suppression of coffee-ring effect does not require a circulatory flow driven by an inward Marangoni flow at air-water interface. Instead, the number of new cluster formation, which can be enhanced by increasing the ratio of non-spherical particles and the overall number of microspheres, is more dominant in the suppression process. Together, this model provides a useful platform elucidating insights for suppressing coffee-ring effect for practical applications in the future.

Influence of lubrication forces in direct numerical simulations of particle-laden flows

NASA Astrophysics Data System (ADS)

Maitri, Rohit; Peters, Frank; Padding, Johan; Kuipers, Hans

2016-11-01

Accurate numerical representation of particle-laden flows is important for fundamental understanding and optimizing the complex processes such as proppant transport in fracking. Liquid-solid flows are fundamentally different from gas-solid flows because of lower density ratios (solid to fluid) and non-negligible lubrication forces. In this interface resolved model, fluid-solid coupling is achieved by incorporating the no-slip boundary condition implicitly at particle's surfaces by means of an efficient second order ghost-cell immersed boundary method. A fixed Eulerian grid is used for solving the Navier-Stokes equations and the particle-particle interactions are implemented using the soft sphere collision and sub-grid scale lubrication model. Due to the range of influence of lubrication force on a smaller scale than the grid size, it is important to implement the lubrication model accurately. In this work, different implementations of the lubrication model on particle dynamics are studied for various flow conditions. The effect of a particle surface roughness on lubrication force and the particle transport is also investigated. This study is aimed at developing a validated methodology to incorporate lubrication models in direct numerical simulation of particle laden flows. This research is supported from Grant 13CSER014 of the Foundation for Fundamental Research on Matter (FOM), which is part of the Netherlands Organisation for Scientific Research (NWO).

Particle-hole symmetry in generalized seniority, microscopic interacting boson (fermion) model, nucleon-pair approximation, and other models

NASA Astrophysics Data System (ADS)

Jia, L. Y.

2016-06-01

The particle-hole symmetry (equivalence) of the full shell-model Hilbert space is straightforward and routinely used in practical calculations. In this work I show that this symmetry is preserved in the subspace truncated up to a certain generalized seniority and give the explicit transformation between the states in the two types (particle and hole) of representations. Based on the results, I study particle-hole symmetry in popular theories that could be regarded as further truncations on top of the generalized seniority, including the microscopic interacting boson (fermion) model, the nucleon-pair approximation, and other models.

Reactive Radial Diffusion Model for the Aging/Sequestration Process

NASA Astrophysics Data System (ADS)

Ginn, T. R.; Basagaoglu, H.; McCoy, B. J.; Scow, K. M.

2001-12-01

A radial diffusion model has been formulated to simulate age-dependent bioavailability of chemical compounds to micro-organisms residing outside (and/or inside) the porous soil particles. Experimental findings in the literature indicate that the sequestration and reduction in bioavailability of contaminants are controlled presumably by the diffusion-limited sorption kinetics and the time-variant desorption process. Here we combine radial-diffusion mass transfer modeling with the exposure-time concept to generate mass-balance equations for the intra- and extra-particle concentrations. The model accomodates reversible sorption kinetics involving sorption time-dependence of the rate coefficients, distinct intra- and extra-particle biodegradation rates; and a dynamic mass interaction between the intra- and extra-particle concentrations arising from the radial diffusion concept. The model explicitly treats multiple particle classes distributed in size and chemical properties in a bulk aquifer or soil volume, which allows the simulation of the sequestration and bioavailability of contaminants in different particle size classes that have distinct diffusion, reaction, and aging properties.

Surface charge accumulation of particles containing radionuclides in open air.

PubMed

Kim, Yong-Ha; Yiacoumi, Sotira; Tsouris, Costas

2015-05-01

Radioactivity can induce charge accumulation on radioactive particles. However, electrostatic interactions caused by radioactivity are typically neglected in transport modeling of radioactive plumes because it is assumed that ionizing radiation leads to charge neutralization. The assumption that electrostatic interactions caused by radioactivity are negligible is evaluated here by examining charge accumulation and neutralization on particles containing radionuclides in open air. A charge-balance model is employed to predict charge accumulation on radioactive particles. It is shown that particles containing short-lived radionuclides can be charged with multiple elementary charges through radioactive decay. The presence of radioactive particles can significantly modify the particle charge distribution in open air and yield an asymmetric bimodal charge distribution, suggesting that strong electrostatic particle interactions may occur during short- and long-range transport of radioactive particles. Possible effects of transported radioactive particles on electrical properties of the local atmosphere are reported. The study offers insight into transport characteristics of airborne radionuclides. Results are useful in atmospheric transport modeling of radioactive plumes. Copyright © 2015 Elsevier Ltd. All rights reserved.

Integration of measurements with atmospheric dispersion models: Source term estimation for dispersal of (239)Pu due to non-nuclear detonation of high explosive

NASA Astrophysics Data System (ADS)

Edwards, L. L.; Harvey, T. F.; Freis, R. P.; Pitovranov, S. E.; Chernokozhin, E. V.

1992-10-01

The accuracy associated with assessing the environmental consequences of an accidental release of radioactivity is highly dependent on our knowledge of the source term characteristics and, in the case when the radioactivity is condensed on particles, the particle size distribution, all of which are generally poorly known. This paper reports on the development of a numerical technique that integrates the radiological measurements with atmospheric dispersion modeling. This results in a more accurate particle-size distribution and particle injection height estimation when compared with measurements of high explosive dispersal of (239)Pu. The estimation model is based on a non-linear least squares regression scheme coupled with the ARAC three-dimensional atmospheric dispersion models. The viability of the approach is evaluated by estimation of ADPIC model input parameters such as the ADPIC particle size mean aerodynamic diameter, the geometric standard deviation, and largest size. Additionally we estimate an optimal 'coupling coefficient' between the particles and an explosive cloud rise model. The experimental data are taken from the Clean Slate 1 field experiment conducted during 1963 at the Tonopah Test Range in Nevada. The regression technique optimizes the agreement between the measured and model predicted concentrations of (239)Pu by varying the model input parameters within their respective ranges of uncertainties. The technique generally estimated the measured concentrations within a factor of 1.5, with the worst estimate being within a factor of 5, very good in view of the complexity of the concentration measurements, the uncertainties associated with the meteorological data, and the limitations of the models. The best fit also suggest a smaller mean diameter and a smaller geometric standard deviation on the particle size as well as a slightly weaker particle to cloud coupling than previously reported.

Discovery of the linear region of Near Infrared Diffuse Reflectance spectra using the Kubelka-Munk theory

NASA Astrophysics Data System (ADS)

Dai, Shengyun; Pan, Xiaoning; Ma, Lijuan; Huang, Xingguo; Du, Chenzhao; Qiao, Yanjiang; Wu, Zhisheng

2018-05-01

Particle size is of great importance for the quantitative model of the NIR diffuse reflectance. In this paper, the effect of sample particle size on the measurement of harpagoside in Radix Scrophulariae powder by near infrared diffuse (NIR) reflectance spectroscopy was explored. High-performance liquid chromatography (HPLC) was employed as a reference method to construct the quantitative particle size model. Several spectral preprocessing methods were compared, and particle size models obtained by different preprocessing methods for establishing the partial least-squares (PLS) models of harpagoside. Data showed that the particle size distribution of 125-150 μm for Radix Scrophulariae exhibited the best prediction ability with R2pre=0.9513, RMSEP=0.1029 mg·g-1, and RPD = 4.78. For the hybrid granularity calibration model, the particle size distribution of 90-180 μm exhibited the best prediction ability with R2pre=0.8919, RMSEP=0.1632 mg·g-1, and RPD = 3.09. Furthermore, the Kubelka-Munk theory was used to relate the absorption coefficient k (concentration-dependent) and scatter coefficient s (particle size-dependent). The scatter coefficient s was calculated based on the Kubelka-Munk theory to study the changes of s after being mathematically preprocessed. A linear relationship was observed between k/s and absorption A within a certain range and the value for k/s was greater than 4. According to this relationship, the model was more accurately constructed with the particle size distribution of 90-180 μm when s was kept constant or in a small linear region. This region provided a good reference for the linear modeling of diffuse reflectance spectroscopy. To establish a diffuse reflectance NIR model, further accurate assessment should be obtained in advance for a precise linear model.

Weighted Flow Algorithms (WFA) for stochastic particle coagulation

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

DeVille, R.E.L., E-mail: rdeville@illinois.edu; Riemer, N., E-mail: nriemer@illinois.edu; West, M., E-mail: mwest@illinois.edu

2011-09-20

Stochastic particle-resolved methods are a useful way to compute the time evolution of the multi-dimensional size distribution of atmospheric aerosol particles. An effective approach to improve the efficiency of such models is the use of weighted computational particles. Here we introduce particle weighting functions that are power laws in particle size to the recently-developed particle-resolved model PartMC-MOSAIC and present the mathematical formalism of these Weighted Flow Algorithms (WFA) for particle coagulation and growth. We apply this to an urban plume scenario that simulates a particle population undergoing emission of different particle types, dilution, coagulation and aerosol chemistry along a Lagrangianmore » trajectory. We quantify the performance of the Weighted Flow Algorithm for number and mass-based quantities of relevance for atmospheric sciences applications.« less

Weighted Flow Algorithms (WFA) for stochastic particle coagulation

NASA Astrophysics Data System (ADS)

DeVille, R. E. L.; Riemer, N.; West, M.

2011-09-01

Stochastic particle-resolved methods are a useful way to compute the time evolution of the multi-dimensional size distribution of atmospheric aerosol particles. An effective approach to improve the efficiency of such models is the use of weighted computational particles. Here we introduce particle weighting functions that are power laws in particle size to the recently-developed particle-resolved model PartMC-MOSAIC and present the mathematical formalism of these Weighted Flow Algorithms (WFA) for particle coagulation and growth. We apply this to an urban plume scenario that simulates a particle population undergoing emission of different particle types, dilution, coagulation and aerosol chemistry along a Lagrangian trajectory. We quantify the performance of the Weighted Flow Algorithm for number and mass-based quantities of relevance for atmospheric sciences applications.

Heterogenous Combustion of Porous Graphite Particles in Normal and Microgravity

NASA Technical Reports Server (NTRS)

Chelliah, Harsha K.; Miller, Fletcher J.; Delisle, Andrew J.

2001-01-01

Combustion of solid fuel particles has many important applications, including power generation and space propulsion systems. The current models available for describing the combustion process of these particles, especially porous solid particles, include various simplifying approximations. One of the most limiting approximations is the lumping of the physical properties of the porous fuel with the heterogeneous chemical reaction rate constants. The primary objective of the present work is to develop a rigorous model that could decouple such physical and chemical effects from the global heterogeneous reaction rates. For the purpose of validating this model, experiments with porous graphite particles of varying sizes and porosity are being performed. The details of this experimental and theoretical model development effort are described.

Electromagnetic sunscreen model: design of experiments on particle specifications.

PubMed

Lécureux, Marie; Deumié, Carole; Enoch, Stefan; Sergent, Michelle

2015-10-01

We report a numerical study on sunscreen design and optimization. Thanks to the combined use of electromagnetic modeling and design of experiments, we are able to screen the most relevant parameters of mineral filters and to optimize sunscreens. Several electromagnetic modeling methods are used depending on the type of particles, density of particles, etc. Both the sun protection factor (SPF) and the UVB/UVA ratio are considered. We show that the design of experiments' model should include interactions between materials and other parameters. We conclude that the material of the particles is a key parameter for the SPF and the UVB/UVA ratio. Among the materials considered, none is optimal for both. The SPF is also highly dependent on the size of the particles.

Multi-step production of a diphoton resonance

NASA Astrophysics Data System (ADS)

Dobrescu, Bogdan A.; Fox, Patrick J.; Kearney, John

2017-06-01

Among the questions that would be raised by the observation of a new resonance at the LHC, particularly pressing are those concerning the production mechanism: What is the initial state? Is the resonance produced independently or in association with other particles? Here we present two weakly-coupled renormalizable models for production of a diphoton resonance that differ in both their initial and final states. In one model, a scalar particle produced through gluon fusion decays into a diphoton particle and a light, long-lived pseudoscalar. In another model, a {Z}\\prime boson produced from the annihilation of a strange-antistrange quark pair undergoes a cascade decay that leads to a diphoton particle and two sterile neutrinos. Various kinematic distributions may differentiate these models from the canonical model where a diphoton particle is directly produced in gluon fusion.

Explaining the spatiotemporal variation of fine particle number concentrations over Beijing and surrounding areas in an air quality model with aerosol microphysics.

PubMed

Chen, Xueshun; Wang, Zifa; Li, Jie; Chen, Huansheng; Hu, Min; Yang, Wenyi; Wang, Zhe; Ge, Baozhu; Wang, Dawei

2017-12-01

In this study, a three-dimensional air quality model with detailed aerosol microphysics (NAQPMS + APM) was applied to simulate the fine particle number size distribution and to explain the spatiotemporal variation of fine particle number concentrations in different size ranges over Beijing and surrounding areas in the haze season (Jan 15 to Feb 13 in 2006). Comparison between observations and the simulation indicates that the model is able to reproduce the main features of the particle number size distribution. The high number concentration of total particles, up to 26600 cm -3 in observations and 39800 cm -3 in the simulation, indicates the severity of pollution in Beijing. We find that primary particles with secondary species coating and secondary particles together control the particle number size distribution. Secondary particles dominate particle number concentration in the nucleation mode. Primary and secondary particles together determine the temporal evolution and spatial pattern of particle number concentration in the Aitken mode. Primary particles dominate particle number concentration in the accumulation mode. Over Beijing and surrounding areas, secondary particles contribute at least 80% of particle number concentration in the nucleation mode but only 10-20% in the accumulation mode. Nucleation mode particles and accumulation mode particles are anti-phased with each other. Nucleation or primary emissions alone could not explain the formation of the particle number size distribution in Beijing. Nucleation has larger effects on ultrafine particles while primary particles emissions are efficient in producing large particles in the accumulation mode. Reduction in primary particle emissions does not always lead to a decrease in the number concentration of ultrafine particles. Measures to reduce fine particle pollution in terms of particle number concentration may be different from those addressing particle mass concentration. Copyright © 2017 Elsevier Ltd. All rights reserved.

A combined model for pseudo-rapidity distributions in Cu-Cu collisions at BNL-RHIC energies

NASA Astrophysics Data System (ADS)

Jiang, Z. J.; Wang, J.; Huang, Y.

2016-04-01

The charged particles produced in nucleus-nucleus collisions come from leading particles and those frozen out from the hot and dense matter created in collisions. The leading particles are conventionally supposed having Gaussian rapidity distributions normalized to the number of participants. The hot and dense matter is assumed to expand according to the unified hydrodynamics, a hydro model which unifies the features of Landau and Hwa-Bjorken model, and freeze out into charged particles from a time-like hypersurface with a proper time of τFO. The rapidity distribution of this part of charged particles can be derived analytically. The combined contribution from both leading particles and unified hydrodynamics is then compared against the experimental data performed by BNL-RHIC-PHOBOS Collaboration in different centrality Cu-Cu collisions at sNN = 200 and 62.4GeV, respectively. The model predictions are consistent with experimental measurements.

Joint global optimization of tomographic data based on particle swarm optimization and decision theory

NASA Astrophysics Data System (ADS)

Paasche, H.; Tronicke, J.

2012-04-01

In many near surface geophysical applications multiple tomographic data sets are routinely acquired to explore subsurface structures and parameters. Linking the model generation process of multi-method geophysical data sets can significantly reduce ambiguities in geophysical data analysis and model interpretation. Most geophysical inversion approaches rely on local search optimization methods used to find an optimal model in the vicinity of a user-given starting model. The final solution may critically depend on the initial model. Alternatively, global optimization (GO) methods have been used to invert geophysical data. They explore the solution space in more detail and determine the optimal model independently from the starting model. Additionally, they can be used to find sets of optimal models allowing a further analysis of model parameter uncertainties. Here we employ particle swarm optimization (PSO) to realize the global optimization of tomographic data. PSO is an emergent methods based on swarm intelligence characterized by fast and robust convergence towards optimal solutions. The fundamental principle of PSO is inspired by nature, since the algorithm mimics the behavior of a flock of birds searching food in a search space. In PSO, a number of particles cruise a multi-dimensional solution space striving to find optimal model solutions explaining the acquired data. The particles communicate their positions and success and direct their movement according to the position of the currently most successful particle of the swarm. The success of a particle, i.e. the quality of the currently found model by a particle, must be uniquely quantifiable to identify the swarm leader. When jointly inverting disparate data sets, the optimization solution has to satisfy multiple optimization objectives, at least one for each data set. Unique determination of the most successful particle currently leading the swarm is not possible. Instead, only statements about the Pareto optimality of the found solutions can be made. Identification of the leading particle traditionally requires a costly combination of ranking and niching techniques. In our approach, we use a decision rule under uncertainty to identify the currently leading particle of the swarm. In doing so, we consider the different objectives of our optimization problem as competing agents with partially conflicting interests. Analysis of the maximin fitness function allows for robust and cheap identification of the currently leading particle. The final optimization result comprises a set of possible models spread along the Pareto front. For convex Pareto fronts, solution density is expected to be maximal in the region ideally compromising all objectives, i.e. the region of highest curvature.

Model Adaptation for Prognostics in a Particle Filtering Framework

NASA Technical Reports Server (NTRS)

Saha, Bhaskar; Goebel, Kai Frank

2011-01-01

One of the key motivating factors for using particle filters for prognostics is the ability to include model parameters as part of the state vector to be estimated. This performs model adaptation in conjunction with state tracking, and thus, produces a tuned model that can used for long term predictions. This feature of particle filters works in most part due to the fact that they are not subject to the "curse of dimensionality", i.e. the exponential growth of computational complexity with state dimension. However, in practice, this property holds for "well-designed" particle filters only as dimensionality increases. This paper explores the notion of wellness of design in the context of predicting remaining useful life for individual discharge cycles of Li-ion batteries. Prognostic metrics are used to analyze the tradeoff between different model designs and prediction performance. Results demonstrate how sensitivity analysis may be used to arrive at a well-designed prognostic model that can take advantage of the model adaptation properties of a particle filter.

The structure of particle-laden jets and nonevaporating sprays

NASA Technical Reports Server (NTRS)

Shuen, J. S.; Solomon, A. S. P.; Zhang, Q. F.; Faeth, G. M.

1983-01-01

Mean and fluctuating gas velocities, liquid mass fluxes and drop sizes were in nonevaporating sprays. These results, as well as existing measurements in solid particle-laden jets, were used to evaluate models of these processes. The following models were considered: (1) a locally homogeneous flow (LHF) model, where slip between the phases was neglected; (2) a deterministic separated flow (DSF) model, where slip was considered but effects of particle dispersion by turbulence were ignored; and (3) a stochastic separated flow (SSF) model, where effects of interphase slip and turbulent dispersion were considered using random-walk computations for particle motion. The LHF and DSF models did not provide very satisfactory predictions over the present data base. In contrast, the SSF model performed reasonably well - including conditions in nonevaporating sprays where enhanced dispersion of particles by turbulence caused the spray to spread more rapidly than single-phase jets for comparable conditions. While these results are encouraging, uncertainties in initial conditions limit the reliability of the evaluation. Current work is seeking to eliminate this deficiency.

Magnetic particle-scanning for ultrasensitive immunodetection on-chip.

PubMed

Cornaglia, Matteo; Trouillon, Raphaël; Tekin, H Cumhur; Lehnert, Thomas; Gijs, Martin A M

2014-08-19

We describe the concept of magnetic particle-scanning for on-chip detection of biomolecules: a magnetic particle, carrying a low number of antigens (Ag's) (down to a single molecule), is transported by hydrodynamic forces and is subjected to successive stochastic reorientations in an engineered magnetic energy landscape. The latter consists of a pattern of substrate-bound small magnetic particles that are functionalized with antibodies (Ab's). Subsequationuent counting of the captured Ag-carrying particles provides the detection signal. The magnetic particle-scanning principle is investigated in a custom-built magneto-microfluidic chip and theoretically described by a random walk-based model, in which the trajectory of the contact point between an Ag-carrying particle and the small magnetic particle pattern is described by stochastic moves over the surface of the mobile particle, until this point coincides with the position of an Ag, resulting in the binding of the particle. This model explains the particular behavior of previously reported experimental dose-response curves obtained for two different ligand-receptor systems (biotin/streptavidin and TNF-α) over a wide range of concentrations. Our model shows that magnetic particle-scanning results in a very high probability of immunocomplex formation for very low Ag concentrations, leading to an extremely low limit of detection, down to the single molecule-per-particle level. When compared to other types of magnetic particle-based surface coverage assays, our strategy was found to offer a wider dynamic range (>8 orders of magnitude), as the system does not saturate for concentrations as high as 10(11) Ag molecules in a 5 μL drop. Furthermore, by emphasizing the importance of maximizing the encounter probability between the Ag and the Ab to improve sensitivity, our model also contributes to explaining the behavior of other particle-based heterogeneous immunoassays.

PAM: Particle automata model in simulation of Fusarium graminearum pathogen expansion.

PubMed

Wcisło, Rafał; Miller, S Shea; Dzwinel, Witold

2016-01-21

The multi-scale nature and inherent complexity of biological systems are a great challenge for computer modeling and classical modeling paradigms. We present a novel particle automata modeling metaphor in the context of developing a 3D model of Fusarium graminearum infection in wheat. The system consisting of the host plant and Fusarium pathogen cells can be represented by an ensemble of discrete particles defined by a set of attributes. The cells-particles can interact with each other mimicking mechanical resistance of the cell walls and cell coalescence. The particles can move, while some of their attributes can be changed according to prescribed rules. The rules can represent cellular scales of a complex system, while the integrated particle automata model (PAM) simulates its overall multi-scale behavior. We show that due to the ability of mimicking mechanical interactions of Fusarium tip cells with the host tissue, the model is able to simulate realistic penetration properties of the colonization process reproducing both vertical and lateral Fusarium invasion scenarios. The comparison of simulation results with micrographs from laboratory experiments shows encouraging qualitative agreement between the two. Copyright © 2015 Elsevier Ltd. All rights reserved.

Compressibility Effects on Particle-Fluid Interaction Force for Eulerian-Eulerian Simulations

NASA Astrophysics Data System (ADS)

Akiki, Georges; Francois, Marianne; Zhang, Duan

2017-11-01

Particle-fluid interaction forces are essential in modeling multiphase flows. Several models can be found in the literature based on empirical, numerical, and experimental results from various simplified flow conditions. Some of these models also account for finite Mach number effects. Using these models is relatively straightforward with Eulerian-Lagrangian calculations if the model for the total force on particles is used. In Eulerian-Eulerian simulations, however, there is the pressure gradient terms in the momentum equation for particles. For low Mach number flows, the pressure gradient force is negligible if the particle density is much greater than that of the fluid. For supersonic flows where a standing shock is present, even for a steady and uniform flow, it is unclear whether the significant pressure-gradient force should to be separated out from the particle force model. To answer this conceptual question, we perform single-sphere fully-resolved DNS simulations for a wide range of Mach numbers. We then examine whether the total force obtained from the DNS can be categorized into well-established models, such as the quasi-steady, added-mass, pressure-gradient, and history forces. Work sponsored by Advanced Simulation and Computing (ASC) program of NNSA and LDRD-CNLS of LANL.

Review of heavy charged particle transport in MCNP6.2

NASA Astrophysics Data System (ADS)

Zieb, K.; Hughes, H. G.; James, M. R.; Xu, X. G.

2018-04-01

The release of version 6.2 of the MCNP6 radiation transport code is imminent. To complement the newest release, a summary of the heavy charged particle physics models used in the 1 MeV to 1 GeV energy regime is presented. Several changes have been introduced into the charged particle physics models since the merger of the MCNP5 and MCNPX codes into MCNP6. This paper discusses the default models used in MCNP6 for continuous energy loss, energy straggling, and angular scattering of heavy charged particles. Explanations of the physics models' theories are included as well.

Optical properties of mineral dust aerosol including analysis of particle size, composition, and shape effects, and the impact of physical and chemical processing

NASA Astrophysics Data System (ADS)

Alexander, Jennifer Mary

Atmospheric mineral dust has a large impact on the earth's radiation balance and climate. The radiative effects of mineral dust depend on factors including, particle size, shape, and composition which can all be extremely complex. Mineral dust particles are typically irregular in shape and can include sharp edges, voids, and fine scale surface roughness. Particle shape can also depend on the type of mineral and can vary as a function of particle size. In addition, atmospheric mineral dust is a complex mixture of different minerals as well as other, possibly organic, components that have been mixed in while these particles are suspended in the atmosphere. Aerosol optical properties are investigated in this work, including studies of the effect of particle size, shape, and composition on the infrared (IR) extinction and visible scattering properties in order to achieve more accurate modeling methods. Studies of particle shape effects on dust optical properties for single component mineral samples of silicate clay and diatomaceous earth are carried out here first. Experimental measurements are modeled using T-matrix theory in a uniform spheroid approximation. Previous efforts to simulate the measured optical properties of silicate clay, using models that assumed particle shape was independent of particle size, have achieved only limited success. However, a model which accounts for a correlation between particle size and shape for the silicate clays offers a large improvement over earlier modeling approaches. Diatomaceous earth is also studied as an example of a single component mineral dust aerosol with extreme particle shapes. A particle shape distribution, determined by fitting the experimental IR extinction data, used as a basis for modeling the visible light scattering properties. While the visible simulations show only modestly good agreement with the scattering data, the fits are generally better than those obtained using more commonly invoked particle shape distributions. The next goal of this work is to investigate if modeling methods developed in the studies of single mineral components can be generalized to predict the optical properties of more authentic aerosol samples which are complex mixtures of different minerals. Samples of Saharan sand, Iowa loess, and Arizona road dust are used here as test cases. T-matrix based simulations of the authentic samples, using measured particle size distributions, empirical mineralogies, and a priori particle shape models for each mineral component are directly compared with the measured IR extinction spectra and visible scattering profiles. This modeling approach offers a significant improvement over more commonly applied models that ignore variations in particle shape with size or mineralogy and include only a moderate range of shape parameters. Mineral dust samples processed with organic acids and humic material are also studied in order to explore how the optical properties of dust can change after being aged in the atmosphere. Processed samples include quartz mixed with humic material, and calcite reacted with acetic and oxalic acid. Clear differences in the light scattering properties are observed for all three processed mineral dust samples when compared to the unprocessed mineral dust or organic salt products. These interactions result in both internal and external mixtures depending on the sample. In addition, the presence of these organic materials can alter the mineral dust particle shape. Overall, however, these results demonstrate the need to account for the effects of atmospheric aging of mineral dust on aerosol optical properties. Particle shape can also affect the aerodynamic properties of mineral dust aerosol. In order to account for these effects, the dynamic shape factor is used to give a measure of particle asphericity. Dynamic shape factors of quartz are measured by mass and mobility selecting particles and measuring their vacuum aerodynamic diameter. From this, dynamic shape factors in both the transition and vacuum regime can be derived. The measured dynamic shape factors of quartz agree quite well with the spheroidal shape distributions derived through studies of the optical properties.

A kinetic model for heterogeneous condensation of vapor on an insoluble spherical particle.

PubMed

Luo, Xisheng; Fan, Yu; Qin, Fenghua; Gui, Huaqiao; Liu, Jianguo

2014-01-14

A kinetic model is developed to describe the heterogeneous condensation of vapor on an insoluble spherical particle. This new model considers two mechanisms of cluster growth: direct addition of water molecules from the vapor and surface diffusion of adsorbed water molecules on the particle. The effect of line tension is also included in the model. For the first time, the exact expression of evaporation coefficient is derived for heterogeneous condensation of vapor on an insoluble spherical particle by using the detailed balance. The obtained expression of evaporation coefficient is proved to be also correct in the homogeneous condensation and the heterogeneous condensation on a planar solid surface. The contributions of the two mechanisms to heterogeneous condensation including the effect of line tension are evaluated and analysed. It is found that the cluster growth via surface diffusion of adsorbed water molecules on the particle is more important than the direct addition from the vapor. As an example of our model applications, the growth rate of the cap shaped droplet on the insoluble spherical particle is derived. Our evaluation shows that the growth rate of droplet in heterogeneous condensation is larger than that in homogeneous condensation. These results indicate that an explicit kinetic model is benefit to the study of heterogeneous condensation on an insoluble spherical particle.

Steady-state and dynamic models for particle engulfment during solidification

NASA Astrophysics Data System (ADS)

Tao, Yutao; Yeckel, Andrew; Derby, Jeffrey J.

2016-06-01

Steady-state and dynamic models are developed to study the physical mechanisms that determine the pushing or engulfment of a solid particle at a moving solid-liquid interface. The mathematical model formulation rigorously accounts for energy and momentum conservation, while faithfully representing the interfacial phenomena affecting solidification phase change and particle motion. A numerical solution approach is developed using the Galerkin finite element method and elliptic mesh generation in an arbitrary Lagrangian-Eulerian implementation, thus allowing for a rigorous representation of forces and dynamics previously inaccessible by approaches using analytical approximations. We demonstrate that this model accurately computes the solidification interface shape while simultaneously resolving thin fluid layers around the particle that arise from premelting during particle engulfment. We reinterpret the significance of premelting via the definition an unambiguous critical velocity for engulfment from steady-state analysis and bifurcation theory. We also explore the complicated transient behaviors that underlie the steady states of this system and posit the significance of dynamical behavior on engulfment events for many systems. We critically examine the onset of engulfment by comparing our computational predictions to those obtained using the analytical model of Rempel and Worster [29]. We assert that, while the accurate calculation of van der Waals repulsive forces remains an open issue, the computational model developed here provides a clear benefit over prior models for computing particle drag forces and other phenomena needed for the faithful simulation of particle engulfment.

Insights into DNA-mediated interparticle interactions from a coarse-grained model

NASA Astrophysics Data System (ADS)

Ding, Yajun; Mittal, Jeetain

2014-11-01

DNA-functionalized particles have great potential for the design of complex self-assembled materials. The major hurdle in realizing crystal structures from DNA-functionalized particles is expected to be kinetic barriers that trap the system in metastable amorphous states. Therefore, it is vital to explore the molecular details of particle assembly processes in order to understand the underlying mechanisms. Molecular simulations based on coarse-grained models can provide a convenient route to explore these details. Most of the currently available coarse-grained models of DNA-functionalized particles ignore key chemical and structural details of DNA behavior. These models therefore are limited in scope for studying experimental phenomena. In this paper, we present a new coarse-grained model of DNA-functionalized particles which incorporates some of the desired features of DNA behavior. The coarse-grained DNA model used here provides explicit DNA representation (at the nucleotide level) and complementary interactions between Watson-Crick base pairs, which lead to the formation of single-stranded hairpin and double-stranded DNA. Aggregation between multiple complementary strands is also prevented in our model. We study interactions between two DNA-functionalized particles as a function of DNA grafting density, lengths of the hybridizing and non-hybridizing parts of DNA, and temperature. The calculated free energies as a function of pair distance between particles qualitatively resemble experimental measurements of DNA-mediated pair interactions.

Gravitationally influenced particle creation models and late-time cosmic acceleration

NASA Astrophysics Data System (ADS)

Pan, Supriya; Kumar Pal, Barun; Pramanik, Souvik

In this work, we focus on the gravitationally influenced adiabatic particle creation process, a mechanism that does not need any dark energy or modified gravity models to explain the current accelerating phase of the universe. Introducing some particle creation models that generalize some previous models in the literature, we constrain the cosmological scenarios using the latest compilation of the Type Ia Supernovae data only, the first indicator of the accelerating universe. Aside from the observational constraints on the models, we examine the models using two model independent diagnoses, namely the cosmography and Om. Further, we establish the general conditions to test the thermodynamic viabilities of any particle creation model. Our analysis shows that at late-time, the models have close resemblance to that of the ΛCDM cosmology, and the models always satisfy the generalized second law of thermodynamics under certain conditions.

Magnetic microspheres and tissue model studies for therapeutic applications

NASA Technical Reports Server (NTRS)

Ramachandran, Narayanan; Mazuruk, Konstantin

2004-01-01

The use of magnetic fluids and magnetic particles in combinatorial hyperthermia therapy for cancer treatment is reviewed. The investigation approach adopted for producing thermoregulating particles and tissue model studies for studying particle retention and heating characteristics is discussed.

How comparable are size-resolved particle number concentrations from different instruments?

NASA Astrophysics Data System (ADS)

Hornsby, K. E.; Pryor, S. C.

2012-12-01

The need for comparability of particle size resolved measurements originates from multiple drivers including: (i) Recent suggestions that air quality standards for particulate matter should migrate from being mass-based to incorporating number concentrations. This move would necessarily be predicated on measurement comparability which is absolutely critical to compliance determination. (ii) The need to quantify and diagnose causes of variability in nucleation and growth rates in nano-particle experiments conducted in different locations. (iii) Epidemiological research designed to identify key parameters in human health responses to fine particle exposure. Here we present results from a detailed controlled laboratory instrument inter-comparison experiment designed to investigate data comparability in the size range of 2.01-523.3 nm across a range of particle composition, modal diameter and absolute concentration. Particle size distributions were generated using a TSI model 3940 Aerosol Generation System (AGS) diluted using zero air, and sampled using four TSI Scanning Mobility Particle Spectrometer (SMPS) configurations and a TSI model 3091 Fast Mobility Particle Sizer (FMPS). The SMPS configurations used two Electrostatic Classifiers (EC) (model 3080) attached to either a Long DMA (LDMA) (model 3081) or a Nano DMA (NDMA) (model 3085) plumbed to either a TSI model 3025A Butanol Condensed Particle Counting (CPC) or a TSI model 3788 Water CPC. All four systems were run using both high and low flow conditions, and were operated with both the internal diffusion loss and multiple charge corrections turned on. The particle compositions tested were sodium chloride, ammonium nitrate and olive oil diluted in ethanol. Particles of all three were generated at three peak concentration levels (spanning the range observed at our experimental site), and three modal particle diameters. Experimental conditions were maintained for a period of 20 minutes to ensure experimental stationarity and in the data analysis only the middle 18 minutes of data are analyzed. Because of variations in the discretization of the different instrumental configurations, the data are analyzed both after being transformed onto a common size resolution and in terms of a fitted modal distribution. Diagnostic analysis are conducted to assess the impact of SMPS configuration on total number concentration, model geometric mean diameter and distribution dispersion. Preliminary results indicate that selection of DMA exerts the larger control over instrument response.

Four-way coupling of a three-dimensional debris flow solver to a Lagrangian Particle Simulation: method and first results

NASA Astrophysics Data System (ADS)

von Boetticher, Albrecht; Rickenmann, Dieter; McArdell, Brian; Kirchner, James W.

2017-04-01

Debris flows are dense flowing mixtures of water, clay, silt, sand and coarser particles. They are a common natural hazard in mountain regions and frequently cause severe damage. Modeling debris flows to design protection measures is still challenging due to the complex interactions within the inhomogeneous material mixture, and the sensitivity of the flow process to the channel geometry. The open-source, OpenFOAM-based finite-volume debris flow model debrisInterMixing (von Boetticher et al, 2016) defines rheology parameters based on the material properties of the debris flow mixture to reduce the number of free model parameters. As a simplification in this first model version, gravel was treated as a Coulomb-viscoplastic fluid, neglecting grain-to-grain collisions and the coupling between the coarser gravel grains and the interstitial fluid. Here we present an extension of that solver, accounting for the particle-to-particle and particle-to-boundary contacts with a Lagrangian Particle Simulation composed of spherical grains and a user-defined grain size distribution. The grain collisions of the Lagrangian particles add granular flow behavior to the finite-volume simulation of the continuous phases. The two-way coupling exchanges momentum between the phase-averaged flow in a finite volume cell, and among all individual particles contained in that cell, allowing the user to choose from a number of different drag models. The momentum exchange is implemented in the momentum equation and in the pressure equation (ensuring continuity) of the so-called PISO-loop, resulting in a stable 4-way coupling (particle-to-particle, particle-to-boundary, particle-to-fluid and fluid-to-particle) that represents the granular and viscous flow behavior of debris flow material. We will present simulations that illustrate the relative benefits and drawbacks of explicitly representing grain collisions, compared to the original debrisInterMixing solver.

Measurements and Modeling of Radiation Exposure Due to Solar Particle Events

NASA Astrophysics Data System (ADS)

Beck, P.; Conrad Wp6-Sgb Team

Dose assessment procedures of cosmic radiation to aircraft crew are introduced in most of the European countries according the corresponding European directive and national regulations 96 29 Euratom However the radiation exposure due to solar particle events is still a matter of scientific research Several in-flight measurements were performed during solar storm conditions First models to estimate the exposure due to solar particle events were discussed previously Recently EURADOS European Radiation Dosimetry Group http www eurados org started to coordinate research activities in model improvements for dose assessment of solar particle events The coordinated research is a work package of the European research project CONRAD Coordinated Network for Radiation Dosimetry on complex mixed radiation fields at workplaces Major aim of sub group B of that work package is the validation of models for dose assessment of solar particle events using data from neutron ground level monitors in-flight measurement results obtained during a solar particle event and proton satellite data The paper describes the current status of obtainable solar storm measurements and gives an overview of the existing models for dose assessment of solar particle events in flight altitudes

Modelling component evaporation and composition change of traffic-induced ultrafine particles during travel from street canyon to urban background.

PubMed

Nikolova, Irina; MacKenzie, A Rob; Cai, Xiaoming; Alam, Mohammed S; Harrison, Roy M

2016-07-18

We developed a model (CiTTy-Street-UFP) of traffic-related particle behaviour in a street canyon and in the nearby downwind urban background that accounts for aerosol dynamics and the variable vapour pressure of component organics. The model simulates the evolution and fate of traffic generated multicomponent ultrafine particles (UFP) composed of a non-volatile core and 17 Semi-Volatile Organic Compounds (SVOC, modelled as n-alkane proxies). A two-stage modelling approach is adopted: (1) a steady state simulation inside the street canyon is achieved, in which there exists a balance between traffic emissions, condensation/evaporation, deposition, coagulation and exchange with the air above roof-level; and (2) a continuing simulation of the above-roof air parcel advected to the nearby urban park during which evaporation is dominant. We evaluate the component evaporation and associated composition changes of multicomponent organic particles in realistic atmospheric conditions and compare our results with observations from London (UK) in a street canyon and an urban park. With plausible input conditions and parameter settings, the model can reproduce, with reasonable fidelity, size distributions in central London in 2007. The modelled nucleation-mode peak diameter, which is 23 nm in the steady-state street canyon, decreases to 9 nm in a travel time of just 120 s. All modelled SVOC in the sub-10 nm particle size range have evaporated leaving behind only non-volatile material, whereas modelled particle composition in the Aitken mode contains SVOC between C26H54 and C32H66. No data on particle composition are available in the study used for validation, or elsewhere. Measurements addressing in detail the size resolved composition of the traffic emitted UFP in the atmosphere are a high priority for future research. Such data would improve the representation of these particles in dispersion models and provide the data essential for model validation. Enhanced knowledge of the chemical composition of nucleation-mode particles from diesel engine exhaust is needed to predict both their atmospheric behaviour and their implications for human health.

Model of Image Artifacts from Dust Particles

NASA Technical Reports Server (NTRS)

Willson, Reg

2008-01-01

A mathematical model of image artifacts produced by dust particles on lenses has been derived. Machine-vision systems often have to work with camera lenses that become dusty during use. Dust particles on the front surface of a lens produce image artifacts that can potentially affect the performance of a machine-vision algorithm. The present model satisfies a need for a means of synthesizing dust image artifacts for testing machine-vision algorithms for robustness (or the lack thereof) in the presence of dust on lenses. A dust particle can absorb light or scatter light out of some pixels, thereby giving rise to a dark dust artifact. It can also scatter light into other pixels, thereby giving rise to a bright dust artifact. For the sake of simplicity, this model deals only with dark dust artifacts. The model effectively represents dark dust artifacts as an attenuation image consisting of an array of diffuse darkened spots centered at image locations corresponding to the locations of dust particles. The dust artifacts are computationally incorporated into a given test image by simply multiplying the brightness value of each pixel by a transmission factor that incorporates the factor of attenuation, by dust particles, of the light incident on that pixel. With respect to computation of the attenuation and transmission factors, the model is based on a first-order geometric (ray)-optics treatment of the shadows cast by dust particles on the image detector. In this model, the light collected by a pixel is deemed to be confined to a pair of cones defined by the location of the pixel s image in object space, the entrance pupil of the lens, and the location of the pixel in the image plane (see Figure 1). For simplicity, it is assumed that the size of a dust particle is somewhat less than the diameter, at the front surface of the lens, of any collection cone containing all or part of that dust particle. Under this assumption, the shape of any individual dust particle artifact is the shape (typically, circular) of the aperture, and the contribution of the particle to the attenuation factor for a given pixel is the fraction of the cross-sectional area of the collection cone occupied by the particle. Assuming that dust particles do not overlap, the net transmission factor for a given pixel is calculated as one minus the sum of attenuation factors contributed by all dust particles affecting that pixel. In a test, the model was used to synthesize attenuation images for random distributions of dust particles on the front surface of a lens at various relative aperture (F-number) settings. As shown in Figure 2, the attenuation images resembled dust artifacts in real test images recorded while the lens was aimed at a white target.

Modified kinetic theory applied to the shear flows of granular materials

DOE PAGES

Duan, Yifei; Feng, Zhi -Gang; Michaelides, Efstathios E.; ...

2017-04-11

Here, granular materials are characterized by large collections of discrete particles, where the particle-particle interactions are significantly more important than the particle-fluid interactions. The current kinetic theory captures fairly accurately the granular flow behavior in the dilute case, when only binary interactions are significant, but is not accurate at all in the dense flow regime, where multi-particle interactions and contacts must be modeled. To improve the kinetic theory results for granular flows in the dense flow regime, we propose a Modified Kinetic Theory (MKT) model that utilizes the contact duration or cut-off time to account for the complex particle-particle interactionsmore » in the dense regime. The contact duration model, also called TC model, is originally proposed by Luding and McNamara to solve the inelastic collapse issue existing in the Inelastic Hard Sphere (IHS) model. This model defines a cut-off time t c such that dissipation is not counted if the time between two consecutive contacts is less than t c. As shown in their study, the use of a cut-off time t c can also reduce the dissipation during multi-particle contacts. In this paper we relate the TC model with the Discrete Element Method (DEM) by choosing the cut-off time t c to be the duration of contact calculated from the linear-spring-dashpot soft-sphere model of the DEM. We examine two types of granular flows: simple shear flow and the plane shear flow, and compare the results of the classical Kinetic Theory (KT) model, the present MKT model, and the DEM model. Here, we show that the MKT model entails a significant improvement over the KT model for simple shear flows at inertial regimes. With the MKT model the calculations are close to the DEM results at solid fractions as high as 0.57. Even for the plane shear flows, where shear rate and solid fraction are inhomogeneous, the results of the MKT model agree very well with the DEM results.« less

Modified kinetic theory applied to the shear flows of granular materials

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

Duan, Yifei; Feng, Zhi -Gang; Michaelides, Efstathios E.

Here, granular materials are characterized by large collections of discrete particles, where the particle-particle interactions are significantly more important than the particle-fluid interactions. The current kinetic theory captures fairly accurately the granular flow behavior in the dilute case, when only binary interactions are significant, but is not accurate at all in the dense flow regime, where multi-particle interactions and contacts must be modeled. To improve the kinetic theory results for granular flows in the dense flow regime, we propose a Modified Kinetic Theory (MKT) model that utilizes the contact duration or cut-off time to account for the complex particle-particle interactionsmore » in the dense regime. The contact duration model, also called TC model, is originally proposed by Luding and McNamara to solve the inelastic collapse issue existing in the Inelastic Hard Sphere (IHS) model. This model defines a cut-off time t c such that dissipation is not counted if the time between two consecutive contacts is less than t c. As shown in their study, the use of a cut-off time t c can also reduce the dissipation during multi-particle contacts. In this paper we relate the TC model with the Discrete Element Method (DEM) by choosing the cut-off time t c to be the duration of contact calculated from the linear-spring-dashpot soft-sphere model of the DEM. We examine two types of granular flows: simple shear flow and the plane shear flow, and compare the results of the classical Kinetic Theory (KT) model, the present MKT model, and the DEM model. Here, we show that the MKT model entails a significant improvement over the KT model for simple shear flows at inertial regimes. With the MKT model the calculations are close to the DEM results at solid fractions as high as 0.57. Even for the plane shear flows, where shear rate and solid fraction are inhomogeneous, the results of the MKT model agree very well with the DEM results.« less

Exploring the Standard Model of Particles

ERIC Educational Resources Information Center

Johansson, K. E.; Watkins, P. M.

2013-01-01

With the recent discovery of a new particle at the CERN Large Hadron Collider (LHC) the Higgs boson could be about to be discovered. This paper provides a brief summary of the standard model of particle physics and the importance of the Higgs boson and field in that model for non-specialists. The role of Feynman diagrams in making predictions for…

Conceptual Change Texts in Chemistry Teaching: A Study on the Particle Model of Matter

ERIC Educational Resources Information Center

Beerenwinkel, Anne; Parchmann, Ilka; Grasel, Cornelia

2011-01-01

This study explores the effect of a conceptual change text on students' awareness of common misconceptions on the particle model of matter. The conceptual change text was designed based on principles of text comprehensibility, of conceptual change instruction and of instructional approaches how to introduce the particle model. It was evaluated in…

Modeling of conductive particle motion in viscous medium affected by an electric field considering particle-electrode interactions and microdischarge phenomenon

NASA Astrophysics Data System (ADS)

Eslami, Ghiyam; Esmaeilzadeh, Esmaeil; Pérez, Alberto T.

2016-10-01

Up and down motion of a spherical conductive particle in dielectric viscous fluid driven by a DC electric field between two parallel electrodes was investigated. A nonlinear differential equation, governing the particle dynamics, was derived, based on Newton's second law of mechanics, and solved numerically. All the pertaining dimensionless groups were extracted. In contrast to similar previous works, hydrodynamic interaction between the particle and the electrodes, as well as image electric forces, has been taken into account. Furthermore, the influence of the microdischarge produced between the electrodes and the approaching particle on the particle dynamics has been included in the model. The model results were compared with experimental data available in the literature, as well as with some additional experimental data obtained through the present study showing very good agreement. The results indicate that the wall hydrodynamic effect and the dielectric liquid ionic conductivity are very dominant factors determining the particle trajectory. A lower bound is derived for the charge transferred to the particle while rebounding from an electrode. It is found that the time and length scales of the post-microdischarge motion of the particle can be as small as microsecond and micrometer, respectively. The model is able to predict the so called settling/dwelling time phenomenon for the first time.

Markov Chain Models for Stochastic Behavior in Resonance Overlap Regions

NASA Astrophysics Data System (ADS)

McCarthy, Morgan; Quillen, Alice

2018-01-01

We aim to predict lifetimes of particles in chaotic zoneswhere resonances overlap. A continuous-time Markov chain model isconstructed using mean motion resonance libration timescales toestimate transition times between resonances. The model is applied todiffusion in the co-rotation region of a planet. For particles begunat low eccentricity, the model is effective for early diffusion, butnot at later time when particles experience close encounters to the planet.

Co-firing straw with coal in a swirl-stabilized dual-feed burner: modelling and experimental validation.

PubMed

Yin, Chungen; Kaer, Søren K; Rosendahl, Lasse; Hvid, Søren L

2010-06-01

This paper presents a comprehensive computational fluid dynamics (CFD) modelling study of co-firing wheat straw with coal in a 150kW swirl-stabilized dual-feed burner flow reactor, in which the pulverized straw particles (mean diameter of 451microm) and coal particles (mean diameter of 110.4microm) are independently fed into the burner through two concentric injection tubes, i.e., the centre and annular tubes, respectively. Multiple simulations are performed, using three meshes, two global reaction mechanisms for homogeneous combustion, two turbulent combustion models, and two models for fuel particle conversion. It is found that for pulverized biomass particles of a few hundred microns in diameter the intra-particle heat and mass transfer is a secondary issue at most in their conversion, and the global four-step mechanism of Jones and Lindstedt may be better used in modelling volatiles combustion. The baseline CFD models show a good agreement with the measured maps of main species in the reactor. The straw particles, less affected by the swirling secondary air jet due to the large fuel/air jet momentum and large particle response time, travels in a nearly straight line and penetrate through the oxygen-lean core zone; whilst the coal particles are significantly affected by secondary air jet and swirled into the oxygen-rich outer radius with increased residence time (in average, 8.1s for coal particles vs. 5.2s for straw particles in the 3m high reactor). Therefore, a remarkable difference in the overall burnout of the two fuels is predicted: about 93% for coal char vs. 73% for straw char. As the conclusion, a reliable modelling methodology for pulverized biomass/coal co-firing and some useful co-firing design considerations are suggested. Copyright 2010 Elsevier Ltd. All rights reserved.

Modelling the contribution of biogenic volatile organic compounds to new particle formation in the Jülich plant atmosphere chamber

NASA Astrophysics Data System (ADS)

Roldin, P.; Liao, L.; Mogensen, D.; Dal Maso, M.; Rusanen, A.; Kerminen, V.-M.; Mentel, T. F.; Wildt, J.; Kleist, E.; Kiendler-Scharr, A.; Tillmann, R.; Ehn, M.; Kulmala, M.; Boy, M.

2015-09-01

We used the Aerosol Dynamics gas- and particle-phase chemistry model for laboratory CHAMber studies (ADCHAM) to simulate the contribution of BVOC plant emissions to the observed new particle formation during photooxidation experiments performed in the Jülich Plant-Atmosphere Chamber and to evaluate how well smog chamber experiments can mimic the atmospheric conditions during new particle formation events. ADCHAM couples the detailed gas-phase chemistry from Master Chemical Mechanism with a novel aerosol dynamics and particle phase chemistry module. Our model simulations reveal that the observed particle growth may have either been controlled by the formation rate of semi- and low-volatility organic compounds in the gas phase or by acid catalysed heterogeneous reactions between semi-volatility organic compounds in the particle surface layer (e.g. peroxyhemiacetal dimer formation). The contribution of extremely low-volatility organic gas-phase compounds to the particle formation and growth was suppressed because of their rapid and irreversible wall losses, which decreased their contribution to the nano-CN formation and growth compared to the atmospheric situation. The best agreement between the modelled and measured total particle number concentration (R2 > 0.95) was achieved if the nano-CN was formed by kinetic nucleation involving both sulphuric acid and organic compounds formed from OH oxidation of BVOCs.

Effects of Hyperfine Particles on Reflectance Spectra from 0.3 to 25 μm

NASA Astrophysics Data System (ADS)

Mustard, John F.; Hays, John E.

1997-01-01

Fine grained particles <50 μm in size dominate particle size distributions of many planetary surfaces. Despite the predominance of fine particles in planetary regoliths, there have been few investigations of the systematic effects of the finest particles on reflectance spectra, and on the ability of quantitative models to extract compositional and/or textural information from remote observations. The effects of fine particles that are approximately the same size as the wavelength of light on reflectance spectra were investigated using narrow particle size separates of the minerals olivine and quartz across the wavelength range 0.3 to 25 μm. The minerals were ground with a mortar and pestle and sieved into five particle size separates of 5-μm intervals from <5 μm to 20-25 μm. The exact particle size distributions were determined with a particle size analyzer and are shown to be Gaussian about a mean within the range of each sieve separate. The reflectance spectra, obtained using a combination of a bidirectional reflectance spectrometer and an FTIR, exhibited a number of systematic changes as the particle size decreased to become approximately the same size and smaller than the wavelength. In the region of volume scattering, the spectra exhibited a sharp drop in reflectance with the finest particle size separates. Christiansen features became saturated when the imaginary part of the index of refraction was non-negligible, while the restrahlen bands showed continuous decrease in spectral contrast and some change in the shape of the bands with decreasing particle size, though the principal features diagnostic of composition were relatively unaffected. The transparency features showed several important changes with decreasing particle size: the spectral contrast increased then decreased, the position of the maximum reflectance of the transparency features shifted systematically to shorter wavelengths, and the symmetry of the features changed. Mie theory predicts that the extinction and scattering efficiencies should decline rapidly when particle size and wavelength are approximately equal. Using these relationships, a critical diameter where this change is predicted to occur was calculated as a function of wavelength and shown to be effective for explaining qualitatively the observed changes. Each of the mineral particle size series were then modeled quantitatively using Mie calculations to determine single-scattering albedo and a Hapke model to calculate reflectance. The models include the complex indices of refraction for olivine and quartz and the exact particle size distributions. The olivine particle size series was well modeled by these calculations, and correctly reproduced the systematic changes in the volume scattering region, the Christiansen feature, restrahlen bands, and transparency features. The quartz particle size series were less well modeled, with the greatest discrepancies in the restrahlen bands and the overall spectral contrast.

Size Effect on Specific Energy Distribution in Particle Comminution

NASA Astrophysics Data System (ADS)

Xu, Yongfu; Wang, Yidong

A theoretical study is made to derive an energy distribution equation for the size reduction process from the fractal model for the particle comminution. Fractal model is employed as a valid measure of the self-similar size distribution of comminution daughter products. The tensile strength of particles varies with particle size in the manner of a power function law. The energy consumption for comminuting single particle is found to be proportional to the 5(D-3)/3rd order of the particle size, D being the fractal dimension of particle comminution daughter. The Weibull statistics is applied to describe the relationship between the breakage probability and specific energy of particle comminution. A simple equation is derived for the breakage probability of particles in view of the dependence of fracture energy on particle size. The calculated exponents and Weibull coefficients are generally in conformity with published data for fracture of particles.

Attrition-enhanced sulfur capture by limestone particles in fluidized beds

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

Saastamoinen, J.J.; Shimizu, T.

2007-02-14

Sulfur capture by limestone particles in fluidized beds is a well-established technology. The underlying chemical and physical phenomena of the process have been extensively studied and modeled. However, most of the studies have been focused on the relatively brief initial stage of the process, which extends from a few minutes to hours, yet the residence time of the particles in the boiler is much longer. Following the initial stage, a dense product layer will be formed on the particle surface, which decreases the rate of sulfur capture and the degree of utilization of the sorbent. Attrition can enhance sulfur capturemore » by removing this layer. A particle model for sulfur capture has been incorporated with an attrition model. After the initial stage, the rate of sulfur capture stabilizes, so that attrition removes the surface at the same rate as diffusion and chemical reaction produces new product in a thin surface layer of a particle. An analytical solution for the conversion of particles for this regime is presented. The solution includes the effects of the attrition rate, diffusion, chemical kinetics, pressure, and SO{sub 2} concentration, relative to conversion-dependent diffusivity and the rate of chemical reaction. The particle model results in models that describe the conversion of limestone in both fly ash and bottom ash. These are incorporated with the residence time (or reactor) models to calculate the average conversion of the limestone in fly ash and bottom ash, as well as the efficiency of sulfur capture. Data from a large-scale pressurized fluidized bed are compared with the model results.« less

Discrete Element Modeling of Triboelectrically Charged Particles

NASA Technical Reports Server (NTRS)

Hogue, Michael D.; Calle, Carlos I.; Weitzman, Peter S.; Curry, David R.

2008-01-01

Tribocharging of particles is common in many processes including fine powder handling and mixing, printer toner transport and dust extraction. In a lunar environment with its high vacuum and lack of water, electrostatic forces are an important factor to consider when designing and operating equipment. Dust mitigation and management is critical to safe and predictable performance of people and equipment. The extreme nature of lunar conditions makes it difficult and costly to carry out experiments on earth which are necessary to better understand how particles gather and transfer charge between each other and with equipment surfaces. DEM (Discrete Element Modeling) provides an excellent virtual laboratory for studying tribocharging of particles as well as for design of devices for dust mitigation and for other purposes related to handling and processing of lunar regolith. Theoretical and experimental work has been performed pursuant to incorporating screened Coulombic electrostatic forces into EDEM, a commercial DEM software package. The DEM software is used to model the trajectories of large numbers of particles for industrial particulate handling and processing applications and can be coupled with other solvers and numerical models to calculate particle interaction with surrounding media and force fields. While simple Coulombic force between two particles is well understood, its operation in an ensemble of particles is more complex. When the tribocharging of particles and surfaces due to frictional contact is also considered, it is necessary to consider longer range of interaction of particles in response to electrostatic charging. The standard DEM algorithm accounts for particle mechanical properties and inertia as a function of particle shape and mass. If fluid drag is neglected, then particle dynamics are governed by contact between particles, between particles and equipment surfaces and gravity forces. Consideration of particle charge and any tribocharging and electric field effects requires calculation of the forces due to these effects.

Estimation of settling velocity of sediment particles in estuarine and coastal waters

NASA Astrophysics Data System (ADS)

Nasiha, Hussain J.; Shanmugam, Palanisamy

2018-04-01

A model for estimating the settling velocity of sediment particles (spherical and non-spherical) in estuarine and coastal waters is developed and validated using experimental data. The model combines the physical, optical and hydrodynamic properties of the particles and medium to estimate the sediment settling velocity. The well-known Stokes law is broadened to account for the influencing factors of settling velocity such as particle size, shape and density. To derive the model parameters, laboratory experiments were conducted using natural flaky seashells, spherical beach sands and ball-milled seashell powders. Spectral light backscattering measurements of settling particles in a water tank were made showing a distinct optical feature with a peak shifting from 470-490 nm to 500-520 nm for particle populations from spherical to flaky grains. This significant optical feature was used as a proxy to make a shape determination in the present model. Other parameters experimentally determined included specific gravity (ΔSG) , Corey shape factor (CSF) , median grain diameter (D50) , drag coefficient (Cd) and Reynolds number (Re) . The CSF values considered ranged from 0.2 for flaky to 1.0 for perfectly spherical grains and Reynolds numbers from 2.0 to 105 for the laminar to turbulent flow regimes. The specific gravity of submerged particles was optically derived and used along with these parameters to estimate the sediment settling velocity. Comparison with the experiment data showed that the present model estimated settling velocities of spherical and non-spherical particles that were closely consistent with the measured values. Findings revealed that for a given D50, the flaky particles caused a greater decrease in settling velocity than the spherical particles which suggests that the particle shape factor has a profound role in influencing the sediment settling velocity and drag coefficients, especially in transitional and turbulent flow regimes. The present model can be easily adopted for various scientific and operational applications since the required parameters are readily measurable with the commercially available instrumentations.

A Hybrid Physics-Based Data-Driven Approach for Point-Particle Force Modeling

NASA Astrophysics Data System (ADS)

Moore, Chandler; Akiki, Georges; Balachandar, S.

2017-11-01

This study improves upon the physics-based pairwise interaction extended point-particle (PIEP) model. The PIEP model leverages a physical framework to predict fluid mediated interactions between solid particles. While the PIEP model is a powerful tool, its pairwise assumption leads to increased error in flows with high particle volume fractions. To reduce this error, a regression algorithm is used to model the differences between the current PIEP model's predictions and the results of direct numerical simulations (DNS) for an array of monodisperse solid particles subjected to various flow conditions. The resulting statistical model and the physical PIEP model are superimposed to construct a hybrid, physics-based data-driven PIEP model. It must be noted that the performance of a pure data-driven approach without the model-form provided by the physical PIEP model is substantially inferior. The hybrid model's predictive capabilities are analyzed using more DNS. In every case tested, the hybrid PIEP model's prediction are more accurate than those of physical PIEP model. This material is based upon work supported by the National Science Foundation Graduate Research Fellowship Program under Grant No. DGE-1315138 and the U.S. DOE, NNSA, ASC Program, as a Cooperative Agreement under Contract No. DE-NA0002378.

Phase space flow of particles in squeezed states

NASA Technical Reports Server (NTRS)

Ceperley, Peter H.

1994-01-01

The manipulation of noise and uncertainty in squeezed states is governed by the wave nature of the quantum mechanical particles in these states. This paper uses a deterministic model of quantum mechanics in which real guiding waves control the flow of localized particles. This model will be used to examine the phase space flow of particles in typical squeezed states.

Details of regional particle deposition and airflow structures in a realistic model of human tracheobronchial airways: two-phase flow simulation.

PubMed

Rahimi-Gorji, Mohammad; Gorji, Tahereh B; Gorji-Bandpy, Mofid

2016-07-01

In the present investigation, detailed two-phase flow modeling of airflow, transport and deposition of micro-particles (1-10µm) in a realistic tracheobronchial airway geometry based on CT scan images under various breathing conditions (i.e. 10-60l/min) was considered. Lagrangian particle tracking has been used to investigate the particle deposition patterns in a model comprising mouth up to generation G6 of tracheobronchial airways. The results demonstrated that during all breathing patterns, the maximum velocity change occurred in the narrow throat region (Larynx). Due to implementing a realistic geometry for simulations, many irregularities and bending deflections exist in the airways model. Thereby, at higher inhalation rates, these areas are prone to vortical effects which tend to entrap the inhaled particles. According to the results, deposition fraction has a direct relationship with particle aerodynamic diameter (for dp=1-10µm). Enhancing inhalation flow rate and particle size will largely increase the inertial force and consequently, more particle deposition is evident suggesting that inertial impaction is the dominant deposition mechanism in tracheobronchial airways. Copyright © 2016 Elsevier Ltd. All rights reserved.

A discrete element model for the influence of surfactants on sedimentation characteristics of magnetorheological fluids

NASA Astrophysics Data System (ADS)

Son, Kwon Joong

2018-02-01

Hindering particle agglomeration and re-dispersion processes, gravitational sedimentation of suspended particles in magnetorheological (MR) fluids causes inferior performance and controllability of MR fluids in response to a user-specified magnetic field. Thus, suspension stability is one of the principal factors to be considered in synthesizing MR fluids. However, only a few computational studies have been reported so far on the sedimentation characteristics of suspended particles under gravity. In this paper, the settling dynamics of paramagnetic particles suspended in MR fluids was investigated via discrete element method (DEM) simulations. This work focuses particularly on developing accurate fluid-particle and particle-particle interaction models which can account for the influence of stabilizing surfactants on the MR fluid sedimentation. Effect of the stabilizing surfactants on interparticle interactions was incorporated into the derivation of a reliable contact-impact model for DEM computation. Also, the influence of the stabilizing additives on fluid-particle interactions was considered by incorporating Stokes drag with shape and wall correction factors into DEM formulation. The results of simulations performed for model validation purposes showed a good agreement with the published sedimentation measurement data in terms of an initial sedimentation velocity and a final sedimentation ratio.

Modeling of Particle Acceleration at Multiple Shocks via Diffusive Shock Acceleration: Preliminary Results

NASA Technical Reports Server (NTRS)

Parker, L. Neergaard; Zank, G. P.

2013-01-01

Successful forecasting of energetic particle events in space weather models require algorithms for correctly predicting the spectrum of ions accelerated from a background population of charged particles. We present preliminary results from a model that diffusively accelerates particles at multiple shocks. Our basic approach is related to box models in which a distribution of particles is diffusively accelerated inside the box while simultaneously experiencing decompression through adiabatic expansion and losses from the convection and diffusion of particles outside the box. We adiabatically decompress the accelerated particle distribution between each shock by either the method explored in Melrose and Pope (1993) and Pope and Melrose (1994) or by the approach set forth in Zank et al. (2000) where we solve the transport equation by a method analogous to operator splitting. The second method incorporates the additional loss terms of convection and diffusion and allows for the use of a variable time between shocks. We use a maximum injection energy (E(sub max)) appropriate for quasi-parallel and quasi-perpendicular shocks and provide a preliminary application of the diffusive acceleration of particles by multiple shocks with frequencies appropriate for solar maximum (i.e., a non-Markovian process).

Numerical modelling of electrochemical polarization around charged metallic particles

NASA Astrophysics Data System (ADS)

Bücker, Matthias; Undorf, Sabine; Flores Orozco, Adrián; Kemna, Andreas

2017-04-01

We extend an existing analytical model and carry out numerical simulations to study the polarization process around charged metallic particles immersed in an electrolyte solution. Electro-migration and diffusion processes in the electrolyte are described by the Poisson-Nernst-Planck system of partial differential equations. To model the surface charge density, we consider a time- and frequency-invariant electric potential at the particle surface, which leads to the build-up of a static electrical double layer (EDL). Upon excitation by an external electric field at low frequencies, we observe the superposition of two polarization processes. On the one hand, the induced dipole moment on the metallic particle leads to the accumulation of opposite charges in the electrolyte. This charge polarization corresponds to the long-known response of uncharged metallic particles. On the other hand, the unequal cation and anion concentrations in the EDL give rise to a salinity gradient between the two opposite sides of the metallic particle. The resulting concentration polarization enhances the magnitude of the overall polarization response. Furthermore, we use our numerical model to study the effect of relevant model parameters such as surface charge density and ionic strength of the electrolyte on the resulting spectra of the effective conductivity of the composite model system. Our results do not only give interesting new insight into the time-harmonic variation of electric potential and ion concentrations around charged metallic particle. They are also able to reduce incongruities between earlier model predictions and geophysical field and laboratory measurements. Our model thereby improves the general understanding of IP signatures of metallic particles and represents the next step towards a quantitative interpretation of IP imaging results. Part of this research is funded by the Austrian Federal Ministry of Science, Research and Economy under the Raw Materials Initiative.

Influence of surface morphology on the immersion mode ice nucleation efficiency of hematite particles

NASA Astrophysics Data System (ADS)

Hiranuma, N.; Hoffmann, N.; Kiselev, A.; Dreyer, A.; Zhang, K.; Kulkarni, G.; Koop, T.; Möhler, O.

2014-03-01

In this paper, the effect of the morphological modification of aerosol particles with respect to heterogeneous ice nucleation is comprehensively investigated for laboratory-generated hematite particles as a model substrate for atmospheric dust particles. The surface-area-scaled ice nucleation efficiencies of monodisperse cubic hematite particles and milled hematite particles were measured with a series of expansion cooling experiments using the Aerosol Interaction and Dynamics in the Atmosphere (AIDA) cloud simulation chamber. Complementary offline characterization of physico-chemical properties of both hematite subsets were also carried out with scanning electron microscopy (SEM), energy dispersive X-ray (EDX) spectroscopy, dynamic light scattering (DLS), and an electro-kinetic particle charge detector to further constrain droplet-freezing measurements of hematite particles. Additionally, an empirical parameterization derived from our laboratory measurements was implemented in the single-column version of the Community Atmospheric Model version 5 (CAM5) to investigate the model sensitivity in simulated ice crystal number concentration on different ice nucleation efficiencies. From an experimental perspective, our results show that the immersion mode ice nucleation efficiency of milled hematite particles is almost an order of magnitude higher at -35.2 °C < T < -33.5 °C than that of the cubic hematite particles, indicating a substantial effect of morphological irregularities on immersion mode freezing. Our modeling results similarly show that the increased droplet-freezing rates of milled hematite particles lead to about one order magnitude higher ice crystal number in the upper troposphere than cubic hematite particles. Overall, our results suggest that the surface irregularities and associated active sites lead to greater ice activation through droplet freezing.

Search for Hidden Particles: a new experiment proposal

NASA Astrophysics Data System (ADS)

De Lellis, G.

2015-08-01

Searches for new physics with accelerators are being performed at the LHC, looking for high massive particles coupled to matter with ordinary strength. We propose a new experiment meant to search for very weakly coupled particles in the few GeV mass domain. The existence of such particles, foreseen in different models beyond the Standard Model, is largely unexplored from the experimental point of view. A beam dump facility, built at CERN in the north area, using 400 GeV protons is a copious factory of charmed hadrons and it could be used to probe the existence of such particles. The beam dump is also an ideal source of tau neutrinos, the less known particle in the Standard Model. In particular, tau anti-neutrinos have not been observed so far. We therefore propose an experiment to search for hidden particles and study tau neutrino physics at the same time.

Search for Hidden Particles (SHiP): a new experiment proposal

NASA Astrophysics Data System (ADS)

De Lellis, G.

2015-06-01

Searches for new physics with accelerators are being performed at the LHC, looking for high massive particles coupled to matter with ordinary strength. We propose a new experimental facility meant to search for very weakly coupled particles in the few GeV mass domain. The existence of such particles, foreseen in different theoretical models beyond the Standard Model, is largely unexplored from the experimental point of view. A beam dump facility, built at CERN in the north area, using 400 GeV protons is a copious factory of charmed hadrons and could be used to probe the existence of such particles. The beam dump is also an ideal source of tau neutrinos, the less known particle in the Standard Model. In particular, tau anti-neutrinos have not been observed so far. We therefore propose an experiment to search for hidden particles and study tau neutrino physics at the same time.

Optical modeling of volcanic ash particles using ellipsoids

NASA Astrophysics Data System (ADS)

Merikallio, Sini; Muñoz, Olga; Sundström, Anu-Maija; Virtanen, Timo H.; Horttanainen, Matti; de Leeuw, Gerrit; Nousiainen, Timo

2015-05-01

The single-scattering properties of volcanic ash particles are modeled here by using ellipsoidal shapes. Ellipsoids are expected to improve the accuracy of the retrieval of aerosol properties using remote sensing techniques, which are currently often based on oversimplified assumptions of spherical ash particles. Measurements of the single-scattering optical properties of ash particles from several volcanoes across the globe, including previously unpublished measurements from the Eyjafjallajökull and Puyehue volcanoes, are used to assess the performance of the ellipsoidal particle models. These comparisons between the measurements and the ellipsoidal particle model include consideration of the whole scattering matrix, as well as sensitivity studies on the point of view of the Advanced Along Track Scanning Radiometer (AATSR) instrument. AATSR, which flew on the ENVISAT satellite, offers two viewing directions but no information on polarization, so usually only the phase function is relevant for interpreting its measurements. As expected, ensembles of ellipsoids are able to reproduce the observed scattering matrix more faithfully than spheres. Performance of ellipsoid ensembles depends on the distribution of particle shapes, which we tried to optimize. No single specific shape distribution could be found that would perform superiorly in all situations, but all of the best-fit ellipsoidal distributions, as well as the additionally tested equiprobable distribution, improved greatly over the performance of spheres. We conclude that an equiprobable shape distribution of ellipsoidal model particles is a relatively good, yet enticingly simple, approach for modeling volcanic ash single-scattering optical properties.

Design of experiments-based monitoring of critical quality attributes for the spray-drying process of insulin by NIR spectroscopy.

PubMed

Maltesen, Morten Jonas; van de Weert, Marco; Grohganz, Holger

2012-09-01

Moisture content and aerodynamic particle size are critical quality attributes for spray-dried protein formulations. In this study, spray-dried insulin powders intended for pulmonary delivery were produced applying design of experiments methodology. Near infrared spectroscopy (NIR) in combination with preprocessing and multivariate analysis in the form of partial least squares projections to latent structures (PLS) were used to correlate the spectral data with moisture content and aerodynamic particle size measured by a time of flight principle. PLS models predicting the moisture content were based on the chemical information of the water molecules in the NIR spectrum. Models yielded prediction errors (RMSEP) between 0.39% and 0.48% with thermal gravimetric analysis used as reference method. The PLS models predicting the aerodynamic particle size were based on baseline offset in the NIR spectra and yielded prediction errors between 0.27 and 0.48 μm. The morphology of the spray-dried particles had a significant impact on the predictive ability of the models. Good predictive models could be obtained for spherical particles with a calibration error (RMSECV) of 0.22 μm, whereas wrinkled particles resulted in much less robust models with a Q (2) of 0.69. Based on the results in this study, NIR is a suitable tool for process analysis of the spray-drying process and for control of moisture content and particle size, in particular for smooth and spherical particles.

Fine-particle water and pH in the southeastern United States

EPA Science Inventory

Particle water and pH are predicted using meteorological observations (relative humidity (RH), temperature (T)), gas/particle composition, and thermodynamic modeling (ISORROPIA-II). A comprehensive uncertainty analysis is included, and the model is validated. We investigate mass ...

A distribution model for the aerial application of granular agricultural particles

NASA Technical Reports Server (NTRS)

Fernandes, S. T.; Ormsbee, A. I.

1978-01-01

A model is developed to predict the shape of the distribution of granular agricultural particles applied by aircraft. The particle is assumed to have a random size and shape and the model includes the effect of air resistance, distributor geometry and aircraft wake. General requirements for the maintenance of similarity of the distribution for scale model tests are derived and are addressed to the problem of a nongeneral drag law. It is shown that if the mean and variance of the particle diameter and density are scaled according to the scaling laws governing the system, the shape of the distribution will be preserved. Distributions are calculated numerically and show the effect of a random initial lateral position, particle size and drag coefficient. A listing of the computer code is included.

Effect of diffusional creep on particle morphology of polycrystalline alloys strengthened by second phase particles

NASA Technical Reports Server (NTRS)

Wittenberger, J. D.; Behrendt, D. R.

1973-01-01

Diffusional creep in a polycrystalline alloy containing second-phase particles can disrupt the particle morphology. For alloys which depend on the particle distribution for strength, changes in the particle morphology can affect the mechanical properties. Recent observations of diffusional creep in alloys containing soluble particles (gamma-prime strengthened Ni base alloys) and inert particles have been reexamined in light of the basic mechanisms of diffusional creep, and a generalized model of this effect is proposed. The model indicates that diffusional creep will generally result in particle-free regions in the vicinity of grain boundaries serving as net vacancy sources. The factors which control the changes in second-phase morphology have been identified, and methods of reducing the effects of diffusional creep are suggested.

Determining size-specific emission factors for environmental tobacco smoke particles

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

Klepeis, Neil E.; Apte, Michael G.; Gundel, Lara A.

Because size is a major controlling factor for indoor airborne particle behavior, human particle exposure assessments will benefit from improved knowledge of size-specific particle emissions. We report a method of inferring size-specific mass emission factors for indoor sources that makes use of an indoor aerosol dynamics model, measured particle concentration time series data, and an optimization routine. This approach provides--in addition to estimates of the emissions size distribution and integrated emission factors--estimates of deposition rate, an enhanced understanding of particle dynamics, and information about model performance. We applied the method to size-specific environmental tobacco smoke (ETS) particle concentrations measured everymore » minute with an 8-channel optical particle counter (PMS-LASAIR; 0.1-2+ micrometer diameters) and every 10 or 30 min with a 34-channel differential mobility particle sizer (TSI-DMPS; 0.01-1+ micrometer diameters) after a single cigarette or cigar was machine-smoked inside a low air-exchange-rate 20 m{sup 3} chamber. The aerosol dynamics model provided good fits to observed concentrations when using optimized values of mass emission rate and deposition rate for each particle size range as input. Small discrepancies observed in the first 1-2 hours after smoking are likely due to the effect of particle evaporation, a process neglected by the model. Size-specific ETS particle emission factors were fit with log-normal distributions, yielding an average mass median diameter of 0.2 micrometers and an average geometric standard deviation of 2.3 with no systematic differences between cigars and cigarettes. The equivalent total particle emission rate, obtained integrating each size distribution, was 0.2-0.7 mg/min for cigars and 0.7-0.9 mg/min for cigarettes.« less

Observational physics of mirror world

NASA Technical Reports Server (NTRS)

Khlopov, M. YA.; Beskin, G. M.; Bochkarev, N. E.; Pustilnik, L. A.; Pustilnik, S. A.

1989-01-01

The existence of the whole world of shadow particles, interacting with each other and having no mutual interactions with ordinary particles except gravity is a specific feature of modern superstring models, being considered as models of the theory of everything. The presence of shadow particles is the necessary condition in the superstring models, providing compensation of the asymmetry of left and right chirality states of ordinary particles. If compactification of additional dimensions retains the symmetry of left and right states, shadow world turns to be the mirror one, with particles and fields having properties strictly symmetrical to the ones of corresponding ordinary particles and fields. Owing to the strict symmetry of physical laws for ordinary and mirror particles, the analysis of cosmological evolution of mirror matter provides rather definite conclusions on possible effects of mirror particles in the universe. A general qualitative discussion of possible astronomical impact of mirror matter is given, in order to make as wide as possible astronomical observational searches for the effects of mirror world, being the unique way to test the existence of mirror partners of ordinary particles in the Nature.

Bifurcations: Focal Points of Particle Adhesion in Microvascular Networks

PubMed Central

Prabhakarpandian, Balabhaskar; Wang, Yi; Rea-Ramsey, Angela; Sundaram, Shivshankar; Kiani, Mohammad F.; Pant, Kapil

2011-01-01

Objective Particle adhesion in vivo is dependent on microcirculation environment which features unique anatomical (bifurcations, tortuosity, cross-sectional changes) and physiological (complex hemodynamics) characteristics. The mechanisms behind these complex phenomena are not well understood. In this study, we used a recently developed in vitro model of microvascular networks, called Synthetic Microvascular Network, for characterizing particle adhesion patterns in the microcirculation. Methods Synthetic microvascular networks were fabricated using soft lithography processes followed by particle adhesion studies using avidin and biotin-conjugated microspheres. Particle adhesion patterns were subsequently analyzed using CFD based modeling. Results Experimental and modeling studies highlighted the complex and heterogeneous fluid flow patterns encountered by particles in microvascular networks resulting in significantly higher propensity of adhesion (>1.5X) near bifurcations compared to the branches of the microvascular networks. Conclusion Bifurcations are the focal points of particle adhesion in microvascular networks. Changing flow patterns and morphology near bifurcations are the primary factors controlling the preferential adhesion of functionalized particles in microvascular networks. Synthetic microvascular networks provide an in vitro framework for understanding particle adhesion. PMID:21418388

A study of MRI gradient echo signals from discrete magnetic particles with considerations of several parameters in simulations.

PubMed

Kokeny, Paul; Cheng, Yu-Chung N; Xie, He

2018-05-01

Modeling MRI signal behaviors in the presence of discrete magnetic particles is important, as magnetic particles appear in nanoparticle labeled cells, contrast agents, and other biological forms of iron. Currently, many models that take into account the discrete particle nature in a system have been used to predict magnitude signal decays in the form of R2* or R2' from one single voxel. Little work has been done for predicting phase signals. In addition, most calculations of phase signals rely on the assumption that a system containing discrete particles behaves as a continuous medium. In this work, numerical simulations are used to investigate MRI magnitude and phase signals from discrete particles, without diffusion effects. Factors such as particle size, number density, susceptibility, volume fraction, particle arrangements for their randomness, and field of view have been considered in simulations. The results are compared to either a ground truth model, theoretical work based on continuous mediums, or previous literature. Suitable parameters used to model particles in several voxels that lead to acceptable magnetic field distributions around particle surfaces and accurate MR signals are identified. The phase values as a function of echo time from a central voxel filled by particles can be significantly different from those of a continuous cubic medium. However, a completely random distribution of particles can lead to an R2' value which agrees with the prediction from the static dephasing theory. A sphere with a radius of at least 4 grid points used in simulations is found to be acceptable to generate MR signals equivalent from a larger sphere. Increasing number of particles with a fixed volume fraction in simulations reduces the resulting variance in the phase behavior, and converges to almost the same phase value for different particle numbers at each echo time. The variance of phase values is also reduced when increasing the number of particles in a fixed voxel. These results indicate that MRI signals from voxels containing discrete particles, even with a sufficient number of particles per voxel, cannot be properly modeled by a continuous medium with an equivalent susceptibility value in the voxel. Copyright © 2017 Elsevier Inc. All rights reserved.

A Review of Discrete Element Method (DEM) Particle Shapes and Size Distributions for Lunar Soil

NASA Technical Reports Server (NTRS)

Lane, John E.; Metzger, Philip T.; Wilkinson, R. Allen

2010-01-01

As part of ongoing efforts to develop models of lunar soil mechanics, this report reviews two topics that are important to discrete element method (DEM) modeling the behavior of soils (such as lunar soils): (1) methods of modeling particle shapes and (2) analytical representations of particle size distribution. The choice of particle shape complexity is driven primarily by opposing tradeoffs with total number of particles, computer memory, and total simulation computer processing time. The choice is also dependent on available DEM software capabilities. For example, PFC2D/PFC3D and EDEM support clustering of spheres; MIMES incorporates superquadric particle shapes; and BLOKS3D provides polyhedra shapes. Most commercial and custom DEM software supports some type of complex particle shape beyond the standard sphere. Convex polyhedra, clusters of spheres and single parametric particle shapes such as the ellipsoid, polyellipsoid, and superquadric, are all motivated by the desire to introduce asymmetry into the particle shape, as well as edges and corners, in order to better simulate actual granular particle shapes and behavior. An empirical particle size distribution (PSD) formula is shown to fit desert sand data from Bagnold. Particle size data of JSC-1a obtained from a fine particle analyzer at the NASA Kennedy Space Center is also fitted to a similar empirical PSD function.

Size resolved ultrafine particles emission model--a continues size distribution approach.

PubMed

Nikolova, Irina; Janssen, Stijn; Vrancken, Karl; Vos, Peter; Mishra, Vinit; Berghmans, Patrick

2011-08-15

A new parameterization for size resolved ultrafine particles (UFP) traffic emissions is proposed based on the results of PARTICULATES project (Samaras et al., 2005). It includes the emission factors from the Emission Inventory Guidebook (2006) (total number of particles, #/km/veh), the shape of the corresponding particle size distribution given in PARTICULATES and data for the traffic activity. The output of the model UFPEM (UltraFine Particle Emission Model) is a sum of continuous distributions of ultrafine particles emissions per vehicle type (passenger cars and heavy duty vehicles), fuel (petrol and diesel) and average speed representative for urban, rural and highway driving. The results from the parameterization are compared with measured total number of ultrafine particles and size distributions in a tunnel in Antwerp (Belgium). The measured UFP concentration over the entire campaign shows a close relation to the traffic activity. The modelled concentration is found to be lower than the measured in the campaign. The average emission factor from the measurement is 4.29E+14 #/km/veh whereas the calculated is around 30% lower. A comparison of emission factors with literature is done as well and in overall a good agreement is found. For the size distributions it is found that the measured distributions consist of three modes--Nucleation, Aitken and accumulation and most of the ultrafine particles belong to the Nucleation and the Aitken modes. The modelled Aitken mode (peak around 0.04-0.05 μm) is found in a good agreement both as amplitude of the peak and the number of particles whereas the modelled Nucleation mode is shifted to smaller diameters and the peak is much lower that the observed. Time scale analysis shows that at 300 m in the tunnel coagulation and deposition are slow and therefore neglected. The UFPEM emission model can be used as a source term in dispersion models. Copyright © 2011 Elsevier B.V. All rights reserved.

Modeling of batch sorber system: kinetic, mechanistic, and thermodynamic modeling

NASA Astrophysics Data System (ADS)

Mishra, Vishal

2017-10-01

The present investigation has dealt with the biosorption of copper and zinc ions on the surface of egg-shell particles in the liquid phase. Various rate models were evaluated to elucidate the kinetics of copper and zinc biosorptions, and the results indicated that the pseudo-second-order model was more appropriate than the pseudo-first-order model. The curve of the initial sorption rate versus the initial concentration of copper and zinc ions also complemented the results of the pseudo-second-order model. Models used for the mechanistic modeling were the intra-particle model of pore diffusion and Bangham's model of film diffusion. The results of the mechanistic modeling together with the values of pore and film diffusivities indicated that the preferential mode of the biosorption of copper and zinc ions on the surface of egg-shell particles in the liquid phase was film diffusion. The results of the intra-particle model showed that the biosorption of the copper and zinc ions was not dominated by the pore diffusion, which was due to macro-pores with open-void spaces present on the surface of egg-shell particles. The thermodynamic modeling reproduced the fact that the sorption of copper and zinc was spontaneous, exothermic with the increased order of the randomness at the solid-liquid interface.

The SHiP experiment at CERN

NASA Astrophysics Data System (ADS)

De Lellis, G.; SHiP Collaboration

2017-04-01

The discovery of the Higgs boson has fully confirmed the Standard Model of particles and fields. Nevertheless, there are still fundamental phenomena, like the existence of dark matter and the baryon asymmetry of the Universe, which deserve an explanation that could come from the discovery of new particles. Searches for new physics with accelerators are performed at the LHC, looking for high massive particles coupled to matter with ordinary strength. A new experiment at CERN meant to search for very weakly coupled particles in the few GeV mass domain has been recently proposed. The existence of such particles, foreseen in different theoretical models beyond the Standard Model, is largely unexplored. A beam dump facility using high intensity 400 GeV protons is a copious source of such unknown particles in the GeV mass range. The beam dump is also a copious source of neutrinos and in particular it is an ideal source of tau neutrinos, the less known particle in the Standard Model. Indeed, tau anti-neutrinos have not been directly observed so far. We report the physics potential of such an experiment.

The SHiP experiment at CERN

NASA Astrophysics Data System (ADS)

Bonivento, Walter M.

2017-07-01

The discovery of the Higgs boson has fully confirmed the Standard Model of particles and fields. Nevertheless, there are still fundamental phenomena, like the existence of dark matter and the baryon asymmetry of the Universe, deserving an explanation that could come from the discovery of new particles. Searches for new physics with accelerators are performed at the LHC, looking for high massive particles coupled to matter with ordinary strength. A new experiment at CERN meant to search for very weakly coupled particles in the few GeV mass domain has been recently proposed. The existence of such particles, foreseen in different theoretical models beyond the Standard Model, is largely unexplored. A beam dump facility using high intensity 400 GeV protons is a copious source of such unknown particles in the GeV mass range. The beam dump is also a copious source of neutrinos and in particular it is an ideal source of tau neutrinos, the less known particle in the Standard Model. The neutrino detector can also search for dark matter through its scattering off the electrons. We report the physics potential of the SHiP experiment.

Rain water transport and storage in a model sandy soil with hydrogel particle additives.

PubMed

Wei, Y; Durian, D J

2014-10-01

We study rain water infiltration and drainage in a dry model sandy soil with superabsorbent hydrogel particle additives by measuring the mass of retained water for non-ponding rainfall using a self-built 3D laboratory set-up. In the pure model sandy soil, the retained water curve measurements indicate that instead of a stable horizontal wetting front that grows downward uniformly, a narrow fingered flow forms under the top layer of water-saturated soil. This rain water channelization phenomenon not only further reduces the available rain water in the plant root zone, but also affects the efficiency of soil additives, such as superabsorbent hydrogel particles. Our studies show that the shape of the retained water curve for a soil packing with hydrogel particle additives strongly depends on the location and the concentration of the hydrogel particles in the model sandy soil. By carefully choosing the particle size and distribution methods, we may use the swollen hydrogel particles to modify the soil pore structure, to clog or extend the water channels in sandy soils, or to build water reservoirs in the plant root zone.

Investigating evaporation of melting ice particles within a bin melting layer model

NASA Astrophysics Data System (ADS)

Neumann, Andrea J.

Single column models have been used to help develop algorithms for remote sensing retrievals. Assumptions in the single-column models may affect the assumptions of the remote sensing retrievals. Studies of the melting layer that use single column models often assume environments that are near or at water saturation. This study investigates the effects of evaporation upon melting particles to determine whether the assumption of negligible mass loss still holds within subsaturated melting layers. A single column, melting layer model is modified to include the effects of sublimation and evaporation upon the particles. Other changes to the model include switching the order in which the model loops over particle sizes and model layers; including a particle sedimentation scheme; adding aggregation, accretion, and collision and coalescence processes; allowing environmental variables such as the water vapor diffusivity and the Schmidt number to vary with the changes in the environment; adding explicitly calculated particle temperature, changing the particle terminal velocity parameterization; and using a newly-derived effective density-dimensional relationship for use in particle mass calculations. Simulations of idealized melting layer environments show that significant mass loss due to evaporation during melting is possible within subsaturated environments. Short melting distances, accelerating particle fall speeds, and short melting times help constrain the amount of mass lost due to evaporation while melting is occurring, even in subsaturated profiles. Sublimation prior to melting can also be a significant source of mass loss. The trends shown on the particle scale also appear in the bulk distribution parameters such as rainfall rate and ice water content. Simulations incorporating observed melting layer environments show that significant mass loss due to evaporation during the melting process is possible under certain environmental conditions. A profile such as the first melting layer profile on 10 May 2011 from the Midlatitude Continental Convective Clouds Experiment (MC3E) that is neither too saturated nor too subsaturated is possible and shows considerable mass loss for all particle sizes. Most melting layer profiles sampled during MC3E were too saturated for more than a dozen or two of the smallest particle sizes to experience significant mass loss. The aggregation, accretion, and collision and coalescence processes also countered significant mass loss at the largest particles sizes because these particles are efficient at collecting smaller particles due to their relative large sweep-out area. From these results, it appears that the assumption of negligible mass loss due to evaporation while melting is occurring is not always valid. Studies that use large, low-density snowflakes and high RH environments can safely use the assumption of negligible mass loss. Studies that use small ice particles or low RH environments (RH less than about 80%) cannot use the assumption of negligible mass loss due to evaporation. Retrieval algorithms may be overestimating surface precipitation rates and intensities in subsaturated environments due to the assumptions of negligible mass loss while melting and near-saturated melting layer environments.

Particle drag history in a subcritical post-shock flow - data analysis method and uncertainty

NASA Astrophysics Data System (ADS)

Ding, Liuyang; Bordoloi, Ankur; Adrian, Ronald; Prestridge, Kathy; Arizona State University Team; Los Alamos National Laboratory Team

2017-11-01

A novel data analysis method for measuring particle drag in an 8-pulse particle tracking velocimetry-accelerometry (PTVA) experiment is described. We represented the particle drag history, CD(t) , using polynomials up to the third order. An analytical model for continuous particle position history was derived by integrating an equation relating CD(t) with particle velocity and acceleration. The coefficients of CD(t) were then calculated by fitting the position history model to eight measured particle locations in the sense of least squares. A preliminary test with experimental data showed that the new method yielded physically more reasonable particle velocity and acceleration history compared to conventionally adopted polynomial fitting. To fully assess and optimize the performance of the new method, we performed a PTVA simulation by assuming a ground truth of particle motion based on an ensemble of experimental data. The results indicated a significant reduction in the RMS error of CD. We also found that for particle locating noise between 0.1 and 3 pixels, a range encountered in our experiment, the lowest RMS error was achieved by using the quadratic CD(t) model. Furthermore, we will also discuss the optimization of the pulse timing configuration.

Artificial neural network based particle size prediction of polymeric nanoparticles.

PubMed

Youshia, John; Ali, Mohamed Ehab; Lamprecht, Alf

2017-10-01

Particle size of nanoparticles and the respective polydispersity are key factors influencing their biopharmaceutical behavior in a large variety of therapeutic applications. Predicting these attributes would skip many preliminary studies usually required to optimize formulations. The aim was to build a mathematical model capable of predicting the particle size of polymeric nanoparticles produced by a pharmaceutical polymer of choice. Polymer properties controlling the particle size were identified as molecular weight, hydrophobicity and surface activity, and were quantified by measuring polymer viscosity, contact angle and interfacial tension, respectively. A model was built using artificial neural network including these properties as input with particle size and polydispersity index as output. The established model successfully predicted particle size of nanoparticles covering a range of 70-400nm prepared from other polymers. The percentage bias for particle prediction was 2%, 4% and 6%, for the training, validation and testing data, respectively. Polymer surface activity was found to have the highest impact on the particle size followed by viscosity and finally hydrophobicity. Results of this study successfully highlighted polymer properties affecting particle size and confirmed the usefulness of artificial neural networks in predicting the particle size and polydispersity of polymeric nanoparticles. Copyright © 2017 Elsevier B.V. All rights reserved.

Theory of one-dimensional hopping motion of a heavy particle interacting with phonons by different couplings

NASA Astrophysics Data System (ADS)

Itai, K.

1987-02-01

Two models which describe one-dimensional hopping motion of a heavy particle interacting with phonons are discussed. Model A corresponds to hopping in 1D metals or to the polaron problem. In model B the momentum dependence of the particle-phonon coupling is proportional to k-1/2. The scaling equations show that only in model B does localization occur for a coupling larger than a critical value. In the localization region this model shows close analogy to the Caldeira-Leggett model for macroscopic quantum tunneling.

Snow particles extracted from X-ray computed microtomography imagery and their single-scattering properties

NASA Astrophysics Data System (ADS)

Ishimoto, Hiroshi; Adachi, Satoru; Yamaguchi, Satoru; Tanikawa, Tomonori; Aoki, Teruo; Masuda, Kazuhiko

2018-04-01

Sizes and shapes of snow particles were determined from X-ray computed microtomography (micro-CT) images, and their single-scattering properties were calculated at visible and near-infrared wavelengths using a Geometrical Optics Method (GOM). We analyzed seven snow samples including fresh and aged artificial snow and natural snow obtained from field samples. Individual snow particles were numerically extracted, and the shape of each snow particle was defined by applying a rendering method. The size distribution and specific surface area distribution were estimated from the geometrical properties of the snow particles, and an effective particle radius was derived for each snow sample. The GOM calculations at wavelengths of 0.532 and 1.242 μm revealed that the realistic snow particles had similar scattering phase functions as those of previously modeled irregular shaped particles. Furthermore, distinct dendritic particles had a characteristic scattering phase function and asymmetry factor. The single-scattering properties of particles of effective radius reff were compared with the size-averaged single-scattering properties. We found that the particles of reff could be used as representative particles for calculating the average single-scattering properties of the snow. Furthermore, the single-scattering properties of the micro-CT particles were compared to those of particle shape models using our current snow retrieval algorithm. For the single-scattering phase function, the results of the micro-CT particles were consistent with those of a conceptual two-shape model. However, the particle size dependence differed for the single-scattering albedo and asymmetry factor.

Experimental and numerical study of steam gasification of a single charcoal particle

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

Mermoud, F.; Van de Steene, L.; Golfier, F.

2006-04-15

The present work deals with a study coupling experiments and modeling of charcoal gasification by steam at large particle scale. A reliable set of experiments was first established using a specially developed 'macro-TG' apparatus where a particle was suspended and continuously weighed during its gasification. The main control parameters of a fixed-bed process were modified separately: steam gasification of beech charcoal spheres of different diameters (10 to 30 mm) was studied at different temperatures (830 to 1030{sup o}C), different steam partial pressures (0.1 to 0.4 atm H{sub 2}O), and different gas velocities around the particle (0.09 to 0.30 m/s). Simulationsmore » with the particle model were performed for each case. Confrontations with experimental data indicate that the model predictions are both qualitatively and quantitatively satisfactory, with an accuracy of 7%, until 60% of conversion, despite the fact that the phenomena of reactive surface evolution and particle fracturing are not well understood. Anisotropy and peripheral fragmentation make the end of the process difficult to simulate. Finally, an analysis of the thermochemical situation is proposed: it is demonstrated that the usual homogeneous or shrinking core particle models are not satisfying and that only the assumption of thermal equilibrium between the particle and the surrounding gas is valid for a model at bed scale. (author)« less

A PFC2D model of the interactions between the tire and the aggregate filled arrester bed on escape ramp

NASA Astrophysics Data System (ADS)

Qin, Pin-pin; Chen, Chui-ce; Pei, Shi-kang; Li, Xin

2017-06-01

The stopping distance of a runaway vehicle is determined by the entry speed, the design of aggregate-filled arrester bed and the longitudinal grade of escape ramp. Although numerous previous studies have been carried out on the influence of speed and grade on stopping distance, taking into account aggregate properties is rare. Firstly, this paper analyzes the interactions between the tire and the aggregate. The tire and the aggregate are abstracted into a big particle unit and a particle combination unit consisting of lots of aggregates, respectively. Secondly this paper proposes an assumption that this interaction is a kind of particle flow. Later, this paper uses some particle properties to describe the tire-particle unit and aggregate-particle unit respectively, then puts forward several simplified steps of modeling by particle flow code in 2 dimensions (PFC2D). Therefore, a PFC2D micro-simulation model of the interactions between the tire and the aggregate is proposed. The parameters of particle properties are then calibrated by three groups of numerical tests. The calibrated model is verified by eight full-scale arrester bed testing data to demonstrate its feasibility and accuracy. This model provides escape ramp designers a feasible simulation method not only for predicting the stopping distance but also considering the aggregate properties.

Particle orbits in two-dimensional equilibrium models for the magnetotail

NASA Technical Reports Server (NTRS)

Karimabadi, H.; Pritchett, P. L.; Coroniti, F. V.

1990-01-01

Assuming that there exist an equilibrium state for the magnetotail, particle orbits are investigated in two-dimensional kinetic equilibrium models for the magnetotail. Particle orbits in the equilibrium field are compared with those calculated earlier with one-dimensional models, where the main component of the magnetic field (Bx) was approximated as either a hyperbolic tangent or a linear function of z with the normal field (Bz) assumed to be a constant. It was found that the particle orbits calculated with the two types of models are significantly different, mainly due to the neglect of the variation of Bx with x in the one-dimensional fields.

Numerical study of the current sheet and PSBL in a magnetotail model

NASA Technical Reports Server (NTRS)

Doxas, I.; Horton, W.; Sandusky, K.; Tajima, T.; Steinolfson, R.

1989-01-01

The current sheet and plasma sheet boundary layer (PSBL) in a magnetotail model are discussed. A test particle code is used to study the response of ensembles of particles to a two-dimensional, time-dependent model of the geomagnetic tail, and test the proposition (Coroniti, 1985a, b; Buchner and Zelenyi, 1986; Chen and Palmadesso, 1986; Martin, 1986) that the stochasticity of the particle orbits in these fields is an important part of the physical mechanism for magnetospheric substorms. The realistic results obtained for the fluid moments of the particle distribution with this simple model, and their insensitivity to initial conditions, is consistent with this hypothesis.

Fast Simulation of Membrane Filtration by Combining Particle Retention Mechanisms and Network Models

NASA Astrophysics Data System (ADS)

Krupp, Armin; Griffiths, Ian; Please, Colin

2016-11-01

Porous membranes are used for their particle retention capabilities in a wide range of industrial filtration processes. The underlying mechanisms for particle retention are complex and often change during the filtration process, making it hard to predict the change in permeability of the membrane during the process. Recently, stochastic network models have been shown to predict the change in permeability based on retention mechanisms, but remain computationally intensive. We show that the averaged behaviour of such a stochastic network model can efficiently be computed using a simple partial differential equation. Moreover, we also show that the geometric structure of the underlying membrane and particle-size distribution can be represented in our model, making it suitable for modelling particle retention in interconnected membranes as well. We conclude by demonstrating the particular application to microfluidic filtration, where the model can be used to efficiently compute a probability density for flux measurements based on the geometry of the pores and particles. A. U. K. is grateful for funding from Pall Corporation and the Mathematical Institute, University of Oxford. I.M.G. gratefully acknowledges support from the Royal Society through a University Research Fellowship.

METHOD AND APPARATUS FOR DETERMINING CHARGED PARTICLE MOTION

DOEpatents

Kerns, Q.A.

1959-08-01

An analog system for determining the motion of charged particles in three dimensional electrical fields is described. A model electrode structure is formed and potentials are applied to the electrodes to provide an analog of the field which is to be studied. To simulate charged particles within the model, conducting spheres are placed at points from which particle motion is to be traced. To free the spheres from gravitational attraction in order that they will be electrostatically accelerated through the model, the apparatus is suspended and dropped. During the pericd that the model is dropping the spheres move through the electrcde structure with a motion corresponding to that of particles in the real system. The model is photographed in the course of falling so that the instantaneous position of the spheres within the simulated field at selected times may be observed and measured. The device thus gives data of particles in the real system. The model is photographed in the course of falling so that the instantaneous position of the spheres within the simulated field at selected times may be observed and measured. The device thus gives data which frequently can otherwise be obtained only with a digital computer.

A Unified Computational Model for Solar and Stellar Flares

NASA Technical Reports Server (NTRS)

Allred, Joel C.; Kowalski, Adam F.; Carlsson, Mats

2015-01-01

We present a unified computational framework that can be used to describe impulsive flares on the Sun and on dMe stars. The models assume that the flare impulsive phase is caused by a beam of charged particles that is accelerated in the corona and propagates downward depositing energy and momentum along the way. This rapidly heats the lower stellar atmosphere causing it to explosively expand and dramatically brighten. Our models consist of flux tubes that extend from the sub-photosphere into the corona. We simulate how flare-accelerated charged particles propagate down one-dimensional flux tubes and heat the stellar atmosphere using the Fokker-Planck kinetic theory. Detailed radiative transfer is included so that model predictions can be directly compared with observations. The flux of flare-accelerated particles drives return currents which additionally heat the stellar atmosphere. These effects are also included in our models. We examine the impact of the flare-accelerated particle beams on model solar and dMe stellar atmospheres and perform parameter studies varying the injected particle energy spectra. We find the atmospheric response is strongly dependent on the accelerated particle cutoff energy and spectral index.

A Constitutive Relationship for Gravelly Soil Considering Fine Particle Suffusion

PubMed Central

Zhang, Yuning; Chen, Yulong

2017-01-01

Suffusion erosion may occur in sandy gravel dam foundations that use suspended cutoff walls. This erosion causes a loss of fine particles, degrades the soil strength and deformation moduli, and adversely impacts the cutoff walls of the dam foundation, as well as the overlying dam body. A comprehensive evaluation of these effects requires models that quantitatively describe the effects of fine particle losses on the stress-strain relationships of sandy gravels. In this work, we propose an experimental scheme for studying these types of models, and then perform triaxial and confined compression tests to determine the effects of particle losses on the stress-strain relationships. Considering the Duncan-Chang E-B model, quantitative expressions describing the relationship between the parameters of the model and the particle losses were derived. The results show that particle losses did not alter the qualitative stress-strain characteristics of the soils; however, the soil strength and deformation moduli were degraded. By establishing the relationship between the parameters of the model and the losses, the same model can then be used to describe the relationship between sandy gravels and erosion levels that vary in both time and space. PMID:29065532

Strong control of Southern Ocean cloud reflectivity by ice-nucleating particles

NASA Astrophysics Data System (ADS)

Vergara-Temprado, Jesús; Miltenberger, Annette K.; Furtado, Kalli; Grosvenor, Daniel P.; Shipway, Ben J.; Hill, Adrian A.; Wilkinson, Jonathan M.; Field, Paul R.; Murray, Benjamin J.; Carslaw, Ken S.

2018-03-01

Large biases in climate model simulations of cloud radiative properties over the Southern Ocean cause large errors in modeled sea surface temperatures, atmospheric circulation, and climate sensitivity. Here, we combine cloud-resolving model simulations with estimates of the concentration of ice-nucleating particles in this region to show that our simulated Southern Ocean clouds reflect far more radiation than predicted by global models, in agreement with satellite observations. Specifically, we show that the clouds that are most sensitive to the concentration of ice-nucleating particles are low-level mixed-phase clouds in the cold sectors of extratropical cyclones, which have previously been identified as a main contributor to the Southern Ocean radiation bias. The very low ice-nucleating particle concentrations that prevail over the Southern Ocean strongly suppress cloud droplet freezing, reduce precipitation, and enhance cloud reflectivity. The results help explain why a strong radiation bias occurs mainly in this remote region away from major sources of ice-nucleating particles. The results present a substantial challenge to climate models to be able to simulate realistic ice-nucleating particle concentrations and their effects under specific meteorological conditions.

Strong control of Southern Ocean cloud reflectivity by ice-nucleating particles

PubMed Central

Miltenberger, Annette K.; Furtado, Kalli; Grosvenor, Daniel P.; Shipway, Ben J.; Hill, Adrian A.; Wilkinson, Jonathan M.; Field, Paul R.

2018-01-01

Large biases in climate model simulations of cloud radiative properties over the Southern Ocean cause large errors in modeled sea surface temperatures, atmospheric circulation, and climate sensitivity. Here, we combine cloud-resolving model simulations with estimates of the concentration of ice-nucleating particles in this region to show that our simulated Southern Ocean clouds reflect far more radiation than predicted by global models, in agreement with satellite observations. Specifically, we show that the clouds that are most sensitive to the concentration of ice-nucleating particles are low-level mixed-phase clouds in the cold sectors of extratropical cyclones, which have previously been identified as a main contributor to the Southern Ocean radiation bias. The very low ice-nucleating particle concentrations that prevail over the Southern Ocean strongly suppress cloud droplet freezing, reduce precipitation, and enhance cloud reflectivity. The results help explain why a strong radiation bias occurs mainly in this remote region away from major sources of ice-nucleating particles. The results present a substantial challenge to climate models to be able to simulate realistic ice-nucleating particle concentrations and their effects under specific meteorological conditions. PMID:29490918

Meso-Scale Modeling of Spall in a Heterogeneous Two-Phase Material

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

Springer, Harry Keo

2008-07-11

The influence of the heterogeneous second-phase particle structure and applied loading conditions on the ductile spall response of a model two-phase material was investigated. Quantitative metallography, three-dimensional (3D) meso-scale simulations (MSS), and small-scale spall experiments provided the foundation for this study. Nodular ductile iron (NDI) was selected as the model two-phase material for this study because it contains a large and readily identifiable second- phase particle population. Second-phase particles serve as the primary void nucleation sites in NDI and are, therefore, central to its ductile spall response. A mathematical model was developed for the NDI second-phase volume fraction that accountedmore » for the non-uniform particle size and spacing distributions within the framework of a length-scale dependent Gaussian probability distribution function (PDF). This model was based on novel multiscale sampling measurements. A methodology was also developed for the computer generation of representative particle structures based on their mathematical description, enabling 3D MSS. MSS were used to investigate the effects of second-phase particle volume fraction and particle size, loading conditions, and physical domain size of simulation on the ductile spall response of a model two-phase material. MSS results reinforce existing model predictions, where the spall strength metric (SSM) logarithmically decreases with increasing particle volume fraction. While SSM predictions are nearly independent of applied load conditions at lower loading rates, which is consistent with previous studies, loading dependencies are observed at higher loading rates. There is also a logarithmic decrease in SSM for increasing (initial) void size, as well. A model was developed to account for the effects of loading rate, particle size, matrix sound-speed, and, in the NDI-specific case, the probabilistic particle volume fraction model. Small-scale spall experiments were designed and executed for the purpose of validating closely-coupled 3D MSS. While the spall strength is nearly independent of specimen thickness, the fragment morphology varies widely. Detailed MSS demonstrate that the interactions between the tensile release waves are altered by specimen thickness and that these interactions are primarily responsible for fragment formation. MSS also provided insights on the regional amplification of damage, which enables the development of predictive void evolution models.« less

ASHEE: a compressible, Equilibrium-Eulerian model for volcanic ash plumes

NASA Astrophysics Data System (ADS)

Cerminara, M.; Esposti Ongaro, T.; Berselli, L. C.

2015-10-01

A new fluid-dynamic model is developed to numerically simulate the non-equilibrium dynamics of polydisperse gas-particle mixtures forming volcanic plumes. Starting from the three-dimensional N-phase Eulerian transport equations (Neri et al., 2003) for a mixture of gases and solid dispersed particles, we adopt an asymptotic expansion strategy to derive a compressible version of the first-order non-equilibrium model (Ferry and Balachandar, 2001), valid for low concentration regimes (particle volume fraction less than 10-3) and particles Stokes number (St, i.e., the ratio between their relaxation time and flow characteristic time) not exceeding about 0.2. The new model, which is called ASHEE (ASH Equilibrium Eulerian), is significantly faster than the N-phase Eulerian model while retaining the capability to describe gas-particle non-equilibrium effects. Direct numerical simulation accurately reproduce the dynamics of isotropic, compressible turbulence in subsonic regime. For gas-particle mixtures, it describes the main features of density fluctuations and the preferential concentration and clustering of particles by turbulence, thus verifying the model reliability and suitability for the numerical simulation of high-Reynolds number and high-temperature regimes in presence of a dispersed phase. On the other hand, Large-Eddy Numerical Simulations of forced plumes are able to reproduce their observed averaged and instantaneous flow properties. In particular, the self-similar Gaussian radial profile and the development of large-scale coherent structures are reproduced, including the rate of turbulent mixing and entrainment of atmospheric air. Application to the Large-Eddy Simulation of the injection of the eruptive mixture in a stratified atmosphere describes some of important features of turbulent volcanic plumes, including air entrainment, buoyancy reversal, and maximum plume height. For very fine particles (St → 0, when non-equilibrium effects are negligible) the model reduces to the so-called dusty-gas model. However, coarse particles partially decouple from the gas phase within eddies (thus modifying the turbulent structure) and preferentially concentrate at the eddy periphery, eventually being lost from the plume margins due to the concurrent effect of gravity. By these mechanisms, gas-particle non-equilibrium processes are able to influence the large-scale behavior of volcanic plumes.

Effects of damage and thermal residual stresses on the overall elastoplastic behavior of particle-reinforced metal matrix composites

NASA Astrophysics Data System (ADS)

Liu, Haitao

The objective of the present study is to investigate damage mechanisms and thermal residual stresses of composites, and to establish the frameworks to model the particle-reinforced metal matrix composites with particle-matrix interfacial debonding, particle cracking or thermal residual stresses. An evolutionary interfacial debonding model is proposed for the composites with spheroidal particles. The construction of the equivalent stiffness is based on the fact that when debonding occurs in a certain direction, the load-transfer ability will lose in that direction. By using this equivalent method, the interfacial debonding problem can be converted into a composite problem with perfectly bonded inclusions. Considering the interfacial debonding is a progressive process in which the debonding area increases in proportion to external loading, a progressive interfacial debonding model is proposed. In this model, the relation between external loading and the debonding area is established using a normal stress controlled debonding criterion. Furthermore, an equivalent orthotropic stiffness tensor is constructed based on the debonding areas. This model is able to study the composites with randomly distributed spherical particles. The double-inclusion theory is recalled to model the particle cracking problems. Cracks inside particles are treated as penny-shape particles with zero stiffness. The disturbed stress field due to the existence of a double-inclusion is expressed explicitly. Finally, a thermal mismatch eigenstrain is introduced to simulate the inconsistent expansions of the matrix and the particles due to the difference of the coefficients of thermal expansion. Micromechanical stress and strain fields are calculated due to the combination of applied external loads and the prescribed thermal mismatch eigenstrains. For all of the above models, ensemble-volume averaging procedures are employed to derive the effective yield function of the composites. Numerical simulations are performed to analyze the effects of various parameters and several good agreements between our model's predictions and experimental results are obtained. It should be mentioned that all of expressions in the frameworks are explicitly derived and these analytical results are easy to be adopted in other related investigations.

Heating and Acceleration of Charged Particles by Weakly Compressible Magnetohydrodynamic Turbulence

NASA Astrophysics Data System (ADS)

Lynn, Jacob William

We investigate the interaction between low-frequency magnetohydrodynamic (MHD) turbulence and a distribution of charged particles. Understanding this physics is central to understanding the heating of the solar wind, as well as the heating and acceleration of other collisionless plasmas. Our central method is to simulate weakly compressible MHD turbulence using the Athena code, along with a distribution of test particles which feel the electromagnetic fields of the turbulence. We also construct analytic models of transit-time damping (TTD), which results from the mirror force caused by compressible (fast or slow) MHD waves. Standard linear-theory models in the literature require an exact resonance between particle and wave velocities to accelerate particles. The models developed in this thesis go beyond standard linear theory to account for the fact that wave-particle interactions decorrelate over a short time, which allows particles with velocities off resonance to undergo acceleration and velocity diffusion. We use the test particle simulation results to calibrate and distinguish between different models for this velocity diffusion. Test particle heating is larger than the linear theory prediction, due to continued acceleration of particles with velocities off-resonance. We also include an artificial pitch-angle scattering to the test particle motion, representing the effect of high-frequency waves or velocity-space instabilities. For low scattering rates, we find that the scattering enforces isotropy and enhances heating by a modest factor. For much higher scattering rates, the acceleration is instead due to a non-resonant effect, as particles "frozen" into the fluid adiabatically gain and lose energy as eddies expand and contract. Lastly, we generalize our calculations to allow for relativistic test particles. Linear theory predicts that relativistic particles with velocities much higher than the speed of waves comprising the turbulence would undergo no acceleration; resonance-broadening modifies this conclusion and allows for a continued Fermi-like acceleration process. This may affect the observed spectra of black hole accretion disks by accelerating relativistic particles into a quasi-powerlaw tail.

A model of Fe speciation and biogeochemistry at the Tropical Eastern North Atlantic Time-Series Observatory site

NASA Astrophysics Data System (ADS)

Ye, Y.; Völker, C.; Wolf-Gladrow, D. A.

2009-10-01

A one-dimensional model of Fe speciation and biogeochemistry, coupled with the General Ocean Turbulence Model (GOTM) and a NPZD-type ecosystem model, is applied for the Tropical Eastern North Atlantic Time-Series Observatory (TENATSO) site. Among diverse processes affecting Fe speciation, this study is focusing on investigating the role of dust particles in removing dissolved iron (DFe) by a more complex description of particle aggregation and sinking, and explaining the abundance of organic Fe-binding ligands by modelling their origin and fate. The vertical distribution of different particle classes in the model shows high sensitivity to changing aggregation rates. Using the aggregation rates from the sensitivity study in this work, modelled particle fluxes are close to observations, with dust particles dominating near the surface and aggregates deeper in the water column. POC export at 1000 m is a little higher than regional sediment trap measurements, suggesting further improvement of modelling particle aggregation, sinking or remineralisation. Modelled strong ligands have a high abundance near the surface and decline rapidly below the deep chlorophyll maximum, showing qualitative similarity to observations. Without production of strong ligands, phytoplankton concentration falls to 0 within the first 2 years in the model integration, caused by strong Fe-limitation. A nudging of total weak ligands towards a constant value is required for reproducing the observed nutrient-like profiles, assuming a decay time of 7 years for weak ligands. This indicates that weak ligands have a longer decay time and therefore cannot be modelled adequately in a one-dimensional model. The modelled DFe profile is strongly influenced by particle concentration and vertical distribution, because the most important removal of DFe in deeper waters is colloid formation and aggregation. Redissolution of particulate iron is required to reproduce an observed DFe profile at TENATSO site. Assuming colloidal iron is mainly composed of inorganic colloids, the modelled colloidal to soluble iron ratio is lower that observations, indicating the importance of organic colloids.

Particle deposition and clearance of atmospheric particles in the human respiratory tract during LACE 98

NASA Astrophysics Data System (ADS)

Bundke, U.; Hänel, G.

2003-04-01

During the LACE 98footnote{Lindenberg Aerosol Characterization Experiment, (Germany) 1998} experiment microphysical, chemical and optical properties of atmospheric particles were measured by several groups. (Bundke et al.). The particle deposition and clearance of the particles in the human respiratory tract was calculated using the ICRP (International Commission on Radiological Protection) deposition and clearance model (ICRP 1994). Particle growth as function of relative humidity outside the body was calculated from measurement data using the model introduced by Bundke et al.. Particle growth inside the body was added using a non-equilibrium particle growth model. As a result of the calculations, time series of the total dry particle mass and -size distribution were obtained for all compartments of the human respiratory tract defined by ICRP 1994. The combined ICRP deposition and clearance model was initialized for different probationers like man, woman, children of different ages and several circumstances like light work, sitting, sleeping etc. Keeping the conditions observed during LACE 98 constant a approximation of the aerosol burdens of the different compartments was calculated up to 4 years of exposure and compared to the results from Snipes et al. for the "Phoenix" and "Philadelphia" aerosol. References: footnotesize{ Bundke, U. et al.,it{Aerosol Optical Properties during the Lindenberg Aerosol Characterization Experiment (LACE 98)} ,10.1029/2000JD000188, JGR, 2002 ICRP,it{Human Respiratory Tract Model for Radiological Protection, Bd. ICRP Publication 66}, Annals of the ICRP, 24,1-3, Elsevier Science, Ocford, 1994 Snipes et al. ,it{The 1994 ICRP66 Human Respiratory Tract Model as a Tool for predicting Lung Burdens from Exposure to Environmental Aerosols}, Appl. Occup. Environ. Hyg., 12, 547-553,1997}

* Murine Model of Progressive Orthopedic Wear Particle-Induced Chronic Inflammation and Osteolysis.

PubMed

Pajarinen, Jukka; Nabeshima, Akira; Lin, Tzu-Hua; Sato, Taishi; Gibon, Emmanuel; Jämsen, Eemeli; Lu, Laura; Nathan, Karthik; Yao, Zhenyu; Goodman, Stuart B

2017-12-01

Periprosthetic osteolysis and subsequent aseptic loosening of total joint replacements are driven by byproducts of wear released from the implant. Wear particles cause macrophage-mediated inflammation that culminates with periprosthetic bone loss. Most current animal models of particle-induced osteolysis are based on the acute inflammatory reaction induced by wear debris, which is distinct from the slowly progressive clinical scenario. To address this limitation, we previously developed a murine model of periprosthetic osteolysis that is based on slow continuous delivery of wear particles into the murine distal femur over a period of 4 weeks. The particle delivery was accomplished by using subcutaneously implanted osmotic pumps and tubing, and a hollow titanium rod press-fit into the distal femur. In this study, we report a modification of our prior model in which particle delivery is extended to 8 weeks to better mimic the progressive development of periprosthetic osteolysis and allow the assessment of interventions in a setting where the chronic particle-induced osteolysis is already present at the initiation of the treatment. Compared to 4-week samples, extending the particle delivery to 8 weeks significantly exacerbated the local bone loss observed with μCT and the amount of both peri-implant F4/80 + macrophages and tartrate-resistant acid phosphatase-positive osteoclasts detected with immunohistochemical and histochemical staining. Furthermore, systemic recruitment of reporter macrophages to peri-implant tissues observed with bioluminescence imaging continued even at the later stages of particle-induced inflammation. This modified model system could provide new insights into the mechanisms of chronic inflammatory bone loss and be particularly useful in assessing the efficacy of treatments in a setting that resembles the clinical scenario of developing periprosthetic osteolysis more closely than currently existing model systems.

Evolution of the concentration PDF in random environments modeled by global random walk

NASA Astrophysics Data System (ADS)

Suciu, Nicolae; Vamos, Calin; Attinger, Sabine; Knabner, Peter

2013-04-01

The evolution of the probability density function (PDF) of concentrations of chemical species transported in random environments is often modeled by ensembles of notional particles. The particles move in physical space along stochastic-Lagrangian trajectories governed by Ito equations, with drift coefficients given by the local values of the resolved velocity field and diffusion coefficients obtained by stochastic or space-filtering upscaling procedures. A general model for the sub-grid mixing also can be formulated as a system of Ito equations solving for trajectories in the composition space. The PDF is finally estimated by the number of particles in space-concentration control volumes. In spite of their efficiency, Lagrangian approaches suffer from two severe limitations. Since the particle trajectories are constructed sequentially, the demanded computing resources increase linearly with the number of particles. Moreover, the need to gather particles at the center of computational cells to perform the mixing step and to estimate statistical parameters, as well as the interpolation of various terms to particle positions, inevitably produce numerical diffusion in either particle-mesh or grid-free particle methods. To overcome these limitations, we introduce a global random walk method to solve the system of Ito equations in physical and composition spaces, which models the evolution of the random concentration's PDF. The algorithm consists of a superposition on a regular lattice of many weak Euler schemes for the set of Ito equations. Since all particles starting from a site of the space-concentration lattice are spread in a single numerical procedure, one obtains PDF estimates at the lattice sites at computational costs comparable with those for solving the system of Ito equations associated to a single particle. The new method avoids the limitations concerning the number of particles in Lagrangian approaches, completely removes the numerical diffusion, and speeds up the computation by orders of magnitude. The approach is illustrated for the transport of passive scalars in heterogeneous aquifers, with hydraulic conductivity modeled as a random field.

Airflow structures and nano-particle deposition in a human upper airway model

NASA Astrophysics Data System (ADS)

Zhang, Z.; Kleinstreuer, C.

2004-07-01

Considering a human upper airway model, or equivalently complex internal flow conduits, the transport and deposition of nano-particles in the 1-150 nm diameter range are simulated and analyzed for cyclic and steady flow conditions. Specifically, using a commercial finite-volume software with user-supplied programs as a solver, the Euler-Euler approach for the fluid-particle dynamics is employed with a low-Reynolds-number k- ω model for laminar-to-turbulent airflow and the mass transfer equation for dispersion of nano-particles or vapors. Presently, the upper respiratory system consists of two connected segments of a simplified human cast replica, i.e., the oral airways from the mouth to the trachea (Generation G0) and an upper tracheobronchial tree model of G0-G3. Experimentally validated computational fluid-particle dynamics results show the following: (i) transient effects in the oral airways appear most prominently during the decelerating phase of the inspiratory cycle; (ii) selecting matching flow rates, total deposition fractions of nano-size particles for cyclic inspiratory flow are not significantly different from those for steady flow; (iii) turbulent fluctuations which occur after the throat can persist downstream to at least Generation G3 at medium and high inspiratory flow rates (i.e., Qin⩾30 l/min) due to the enhancement of flow instabilities just upstream of the flow dividers; however, the effects of turbulent fluctuations on nano-particle deposition are quite minor in the human upper airways; (iv) deposition of nano-particles occurs to a relatively greater extent around the carinal ridges when compared to the straight tubular segments in the bronchial airways; (v) deposition distributions of nano-particles vary with airway segment, particle size, and inhalation flow rate, where the local deposition is more uniformly distributed for large-size particles (say, dp=100 nm) than for small-size particles (say, dp=1 nm); (vi) dilute 1 nm particle suspensions behave like certain (fuel) vapors which have the same diffusivities; and (vii) new correlations for particle deposition as a function of a diffusion parameter are most useful for global lung modeling.

Analyses of scattering characteristics of chosen anthropogenic aerosols

NASA Astrophysics Data System (ADS)

Kaszczuk, Miroslawa; Mierczyk, Zygmunt; Muzal, Michal

2008-10-01

In the work, analyses of scattering profile of chosen anthropogenic aerosols for two wavelengths (λ1 = 1064 nm and λ2 = 532 nm) were made. As an example of anthropogenic aerosol three different pyrotechnic mixtures (DM11, M2, M16) were taken. Main parameters of smoke particles were firstly analyzed and well described, taking particle shape and size into special consideration. Shape of particles was analyzed on the basis of SEM pictures, and particle size was measured. Participation of particles in each fixed fraction characterized by range of sizes was analyzed and parameters of smoke particles of characteristic sizes and function describing aerosol size distribution (ASD) were determinated. Analyses of scattering profiles were carried out on the basis of both model of scattering on spherical and nonspherical particles. In the case of spherical particles Rayleigh-Mie model was used and for nonspherical particles analyses firstly model of spheroids was used, and then Rayleigh-Mie one. For each characteristic particle one calculated value of four parameters (effective scattering cross section σSCA, effective backscattering cross section σBSCA, scattering efficiency QSCA, backscattering efficiency QBSCA) and value of backscattering coefficient β for whole particles population. Obtained results were compared with the same parameters calculated for natural aerosol (cirrus cloud).

Stability of binary and ternary model oil-field particle suspensions: a multivariate analysis approach.

PubMed

Dudásová, Dorota; Rune Flåten, Geir; Sjöblom, Johan; Øye, Gisle

2009-09-15

The transmission profiles of one- to three-component particle suspension mixtures were analyzed by multivariate methods such as principal component analysis (PCA) and partial least-squares regression (PLS). The particles mimic the solids present in oil-field-produced water. Kaolin and silica represent solids of reservoir origin, whereas FeS is the product of bacterial metabolic activities, and Fe(3)O(4) corrosion product (e.g., from pipelines). All particles were coated with crude oil surface active components to imitate particles in real systems. The effects of different variables (concentration, temperature, and coating) on the suspension stability were studied with Turbiscan LAb(Expert). The transmission profiles over 75 min represent the overall water quality, while the transmission during the first 15.5 min gives information for suspension behavior during a representative time period for the hold time in the separator. The behavior of the mixed particle suspensions was compared to that of the single particle suspensions and models describing the systems were built. The findings are summarized as follows: silica seems to dominate the mixture properties in the binary suspensions toward enhanced separation. For 75 min, temperature and concentration are the most significant, while for 15.5 min, concentration is the only significant variable. Models for prediction of transmission spectra from run parameters as well as particle type from transmission profiles (inverse calibration) give a reasonable description of the relationships. In ternary particle mixtures, silica is not dominant and for 75 min, the significant variables for mixture (temperature and coating) are more similar to single kaolin and FeS/Fe(3)O(4). On the other hand, for 15.5 min, the coating is the most significant and this is similar to one for silica (at 15.5 min). The model for prediction of transmission spectra from run parameters gives good estimates of the transmission profiles. Although the model for prediction of particle type from transmission parameters is able to predict some particles, further improvement is required before all particles are consistently correctly classified. Cross-validation was done for both models and estimation errors are reported.

Combustion Of Porous Graphite Particles In Oxygen Enriched Air

NASA Technical Reports Server (NTRS)

Delisle, Andrew J.; Miller, Fletcher J.; Chelliah, Harsha K.

2003-01-01

Combustion of solid fuel particles has many important applications, including power generation and space propulsion systems. The current models available for describing the combustion process of these particles, especially porous solid particles, include various simplifying approximations. One of the most limiting approximations is the lumping of the physical properties of the porous fuel with the heterogeneous chemical reaction rate constants [1]. The primary objective of the present work is to develop a rigorous modeling approach that could decouple such physical and chemical effects from the global heterogeneous reaction rates. For the purpose of validating this model, experiments with porous graphite particles of varying sizes and porosity are being performed under normal and micro gravity.

Modeling the migration of platinum nanoparticles on surfaces using a kinetic Monte Carlo approach

DOE PAGES

Li, Lin; Plessow, Philipp N.; Rieger, Michael; ...

2017-02-15

We propose a kinetic Monte Carlo (kMC) model for simulating the movement of platinum particles on supports, based on atom-by-atom diffusion on the surface of the particle. The proposed model was able to reproduce equilibrium cluster shapes predicted using Wulff-construction. The diffusivity of platinum particles was simulated both purely based on random motion and assisted using an external field that causes a drift velocity. The overall particle diffusivity increases with temperature; however, the extracted activation barrier appears to be temperature independent. Additionally, this barrier was found to increase with particle size, as well as, with the adhesion between the particlemore » and the support.« less

Particle Engulfment and Pushing By Solidifying Interfaces

NASA Technical Reports Server (NTRS)

2003-01-01

The study of particle behavior at solid/liquid interfaces (SLI s) is at the center of the Particle Engulfment and Pushing (PEP) research program. Interactions of particles with SLI s have been of interest since the 1960 s, starting with geological observations, i.e., frost heaving. Ever since, this field of research has become significant to such diverse areas as metal matrix composite materials, fabrication of superconductors, and inclusion control in steels. The PEP research effort is geared towards understanding the fundamental physics of the interaction between particles and a planar SLI. Experimental work including 1-g and mu-g experiments accompany the development of analytical and numerical models. The experimental work comprised of substantial groundwork with aluminum (Al) and zinc (Zn) matrices containing spherical zirconia particles, mu-g experiments with metallic Al matrices and the use of transparent organic metal-analogue materials. The modeling efforts have grown from the initial steady-state analytical model to dynamic models, accounting for the initial acceleration of a particle at rest by an advancing SLI. To gain a more comprehensive understanding, numerical models were developed to account for the influence of the thermal and solutal field. Current efforts are geared towards coupling the diffusive 2-D front tracking model with a fluid flow model to account for differences in the physics of interaction between 1-g and -g environments. A significant amount of this theoretical investigation has been and is being performed by co-investigators at NASA MSFC.

Hysteretic sediment fluxes in rainfall-driven soil erosion

NASA Astrophysics Data System (ADS)

Cheraghi, Mohsen; Jomaa, Seifeddine; Sander, Graham C.; Barry, D. Andrew

2017-04-01

Hysteresis patterns of different sediment particle sizes were studied via a detailed laboratory study and modelling. Seven continuous rainfall events with stepwise- varying rainfall intensities (30, 37.5, 45, 60, 45, 37.5 and 30 mm h-1, each 20 min duration) were conducted using a 5-m × 2-m erosion flume. Flow rates and sediment concentration data were measured using flume discharge samples, and interpreted using the Hairsine and Rose (HR) soil erosion model. The total sediment concentration and concentrations of seven particle size classes (< 2, 2-20, 20-50, 50-100, 100-315, 315-1000 and > 1000 μm) were measured. For the total eroded soil and the finer particle sizes (< 2, 2-20 and 20-50 μm), there was a clockwise pattern in the sediment concentration versus discharge curves. However, as the particle size increased, concentrations tended to vary linearly with discharge. The HR model predictions for the total eroded soil and the finer particle size classes (up to 100 μm) were in good agreement with the experimental results. For the larger particles, the model provided qualitative agreement with the measurements but concentration values were different. In agreement with previous investigations using the HR model, these differences were attributed to the HR model's assumption of suspended sediment flow, which does not account for saltation and rolling motions. Keywords: Hysteresis effects, Sediment transport, Flume experiment, Splash soil erosion, Hairsine and Rose model, Particle Swarm Optimization.

Mathematical modeling of HIV-like particle assembly in vitro.

PubMed

Liu, Yuewu; Zou, Xiufen

2017-06-01

In vitro, the recombinant HIV-1 Gag protein can generate spherical particles with a diameter of 25-30 nm in a fully defined system. It has approximately 80 building blocks, and its intermediates for assembly are abundant in geometry. Accordingly, there are a large number of nonlinear equations in the classical model. Therefore, it is difficult to compute values of geometry parameters for intermediates and make the mathematical analysis using the model. In this work, we develop a new model of HIV-like particle assembly in vitro by using six-fold symmetry of HIV-like particle assembly to decrease the number of geometry parameters. This method will greatly reduce computational costs and facilitate the application of the model. Then, we prove the existence and uniqueness of the positive equilibrium solution for this model with 79 nonlinear equations. Based on this model, we derive the interesting result that concentrations of all intermediates at equilibrium are independent of three important parameters, including two microscopic on-rate constants and the size of nucleating structure. Before equilibrium, these three parameters influence the concentration variation rates of all intermediates. We also analyze the relationship between the initial concentration of building blocks and concentrations of all intermediates. Furthermore, the bounds of concentrations of free building blocks and HIV-like particles are estimated. These results will be helpful to guide HIV-like particle assembly experiments and improve our understanding of the assembly dynamics of HIV-like particles in vitro. Copyright © 2017 Elsevier Inc. All rights reserved.

The SHiP physics program

NASA Astrophysics Data System (ADS)

De Lellis, Giovanni

2018-05-01

The discovery of the Higgs boson has fully confirmed the Standard Model of particles and fields. Nevertheless, there are still fundamental phenomena, like the existence of dark matter and the baryon asymmetry of the Universe, which deserve an explanation that could come from the discovery of new particles. The SHiP experiment at CERN meant to search for very weakly coupled particles in the few GeV mass domain has been recently proposed. The existence of such particles, foreseen in different theoretical models beyond the Standard Model, is largely unexplored. A beam dump facility using high intensity 400 GeV protons is a copious source of such unknown particles in the GeV mass range. The beam dump is also a copious source of neutrinos and in particular it is an ideal source of tau neutrinos, the less known particle in the Standard Model. Indeed, tau anti-neutrinos have not been directly observed so far. We report the physics potential of such an experiment including the tau neutrino magnetic moment.

Influence of Mineral Dust On New Particle Formation and Growth: A Model Study of Heterogeneous Nucleation

NASA Astrophysics Data System (ADS)

Korhonen, H.; Kulmala, M.; Lauri, A.

Analyses of nucleation events have emphasized the importance of pre-existing par- ticles in new particle formation. When coarse mode aerosol is present, it typically dominates the condensation sink for trace gases and thus inhibits the onset of nucle- ation. A monodisperse aerosol dynamical box model is applied to investigate the effect of soluble coated mineral dust particles on new particle formation. The model in- cludes ternary H2SO4­H2O­NH3 nucleation, multicomponent condensation, coagu- lation and dry deposition. As the soluble coating can significantly change the ability of dust particles to serve as a condensation sink for condensable vapours, different mech- anisms of coating, including heterogeneous nucleation of sulphuric acid, are consid- ered. Preliminary results show that the presence of micron sized soluble coated dust par- ticles can even at relatively low concentrations prevent homogeneous nucleation or growth of nucleated particles to detectable size of 3 nm. Furthermore, critical conden- sation sinks obtained by model simulations correspond to measured sinks.

Transient Simulation of Accumulating Particle Deposition in Pipe Flow

NASA Astrophysics Data System (ADS)

Hewett, James; Sellier, Mathieu

2015-11-01

Colloidal particles that deposit in pipe systems can lead to fouling which is an expensive problem in both the geothermal and oil & gas industries. We investigate the gradual accumulation of deposited colloids in pipe flow using numerical simulations. An Euler-Lagrangian approach is employed for modelling the fluid and particle phases. Particle transport to the pipe wall is modelled with Brownian motion and turbulent diffusion. A two-way coupling exists between the fouled material and the pipe flow; the local mass flux of depositing particles is affected by the surrounding fluid in the near-wall region. This coupling is modelled by changing the cells from fluid to solid as the deposited particles exceed each local cell volume. A similar method has been used to model fouling in engine exhaust systems (Paz et al., Heat Transfer Eng., 34(8-9):674-682, 2013). We compare our deposition velocities and deposition profiles with an experiment on silica scaling in turbulent pipe flow (Kokhanenko et al., 19th AFMC, 2014).

Momentum and Heat Transfer Models for Detonation in Nitromethane with Metal Particles

NASA Astrophysics Data System (ADS)

Ripley, Robert; Zhang, Fan; Lien, Fue-Sang

2009-06-01

Models for momentum and heat exchange have been derived from the results of previous 3D mesoscale simulations of detonation in packed aluminum particles saturated with nitromethane, where the shock interaction timescale was resolved. In these models, particle acceleration and heating within the shock and detonation zone have been expressed in terms of velocity and temperature transmission factors, which are a function of metal to explosive density ratio, metal volume fraction and ratio of particle size to detonation zone thickness. These models are incorporated as source terms in the governing equations for continuum dense two-phase flow and macroscopic simulation is then applied to detonation of nitromethane/aluminum in lightly-cased cylinders. Heterogeneous detonation features such as velocity deficit, enhanced pressure, and critical diameter effects are reproduced. Various spherical particle diameters from 3 -- 30 μm are utilized where most of the particles react in the expanding detonation products. Results for detonation velocity, pressure history, failure and U-shaped critical diameter behavior are compared to the existing experiments.

Momentum and Heat Transfer Models for Detonation in Nitromethane with Metal Particles

NASA Astrophysics Data System (ADS)

Ripley, R. C.; Zhang, F.; Lien, F.-S.

2009-12-01

Models for momentum and heat exchange have been derived from the results of previous 3D mesoscale simulations of detonation in packed aluminum particles saturated with nitromethane, where the shock interaction timescale was resolved. In these models, particle acceleration and heating within the shock and detonation zone are expressed in terms of velocity and temperature transmission factors, which are a function of the metal to explosive density ratio, solid volume fraction and ratio of particle size to detonation zone thickness. These models are incorporated as source terms in the governing equations for continuum dense two-phase flow, and then applied to macroscopic simulation of detonation of nitromethane/aluminum in lightly-cased cylinders. Heterogeneous detonation features such as velocity deficit, enhanced pressure, and critical diameter effects are demonstrated. Various spherical particle diameters from 3-350 μm are utilized where most of the particles react in the expanding detonation products. Results for detonation velocity, pressure history, failure and U-shaped critical diameter behavior are compared to existing experiments.

Explaining electric conductivity using the particle-in-a-box model: quantum superposition is the key

NASA Astrophysics Data System (ADS)

Sivanesan, Umaseh; Tsang, Kin; Izmaylov, Artur F.

2017-12-01

Most of the textbooks explaining electric conductivity in the context of quantum mechanics provide either incomplete or semi-classical explanations that are not connected with the elementary concepts of quantum mechanics. We illustrate the conduction phenomena using the simplest model system in quantum dynamics, a particle in a box (PIB). To induce the particle dynamics, a linear potential tilting the bottom of the box is introduced, which is equivalent to imposing a constant electric field for a charged particle. Although the PIB model represents a closed system that cannot have a flow of electrons through the system, we consider the oscillatory dynamics of the particle probability density as the analogue of the electric current. Relating the amplitude and other parameters of the particle oscillatory dynamics with the gap between the ground and excited states of the PIB model allows us to demonstrate one of the most basic dependencies of electric conductivity on the valence-conduction band gap of the material.

A model for predicting field-directed particle transport in the magnetofection process.

PubMed

Furlani, Edward P; Xue, Xiaozheng

2012-05-01

To analyze the magnetofection process in which magnetic carrier particles with surface-bound gene vectors are attracted to target cells for transfection using an external magnetic field and to obtain a fundamental understanding of the impact of key factors such as particle size and field strength on the gene delivery process. A numerical model is used to study the field-directed transport of the carrier particle-gene vector complex to target cells in a conventional multiwell culture plate system. The model predicts the transport dynamics and the distribution of particle accumulation at the target cells. The impact of several factors that strongly influence gene vector delivery is assessed including the properties of the carrier particles, the strength of the field source, and its extent and proximity relative to the target cells. The study demonstrates that modeling can be used to predict and optimize gene vector delivery in the magnetofection process for novel and conventional in vitro systems.

Acceleration of Particles Near Earth's Bow Shock

NASA Astrophysics Data System (ADS)

Sandroos, A.

2012-12-01

Collisionless shock waves, for example, near planetary bodies or driven by coronal mass ejections, are a key source of energetic particles in the heliosphere. When the solar wind hits Earth's bow shock, some of the incident particles get reflected back towards the Sun and are accelerated in the process. Reflected ions are responsible for the creation of a turbulent foreshock in quasi-parallel regions of Earth's bow shock. We present first results of foreshock macroscopic structure and of particle distributions upstream of Earth's bow shock, obtained with a new 2.5-dimensional self-consistent diffusive shock acceleration model. In the model particles' pitch angle scattering rates are calculated from Alfvén wave power spectra using quasilinear theory. Wave power spectra in turn are modified by particles' energy changes due to the scatterings. The new model has been implemented on massively parallel simulation platform Corsair. We have used an earlier version of the model to study ion acceleration in a shock-shock interaction event (Hietala, Sandroos, and Vainio, 2012).

A smoothed particle hydrodynamics framework for modelling multiphase interactions at meso-scale

NASA Astrophysics Data System (ADS)

Li, Ling; Shen, Luming; Nguyen, Giang D.; El-Zein, Abbas; Maggi, Federico

2018-01-01

A smoothed particle hydrodynamics (SPH) framework is developed for modelling multiphase interactions at meso-scale, including the liquid-solid interaction induced deformation of the solid phase. With an inter-particle force formulation that mimics the inter-atomic force in molecular dynamics, the proposed framework includes the long-range attractions between particles, and more importantly, the short-range repulsive forces to avoid particle clustering and instability problems. Three-dimensional numerical studies have been conducted to demonstrate the capabilities of the proposed framework to quantitatively replicate the surface tension of water, to model the interactions between immiscible liquids and solid, and more importantly, to simultaneously model the deformation of solid and liquid induced by the multiphase interaction. By varying inter-particle potential magnitude, the proposed SPH framework has successfully simulated various wetting properties ranging from hydrophobic to hydrophilic surfaces. The simulation results demonstrate the potential of the proposed framework to genuinely study complex multiphase interactions in wet granular media.

Modeling a Single SEP Event from Multiple Vantage Points Using the iPATH Model

NASA Astrophysics Data System (ADS)

Hu, Junxiang; Li, Gang; Fu, Shuai; Zank, Gary; Ao, Xianzhi

2018-02-01

Using the recently extended 2D improved Particle Acceleration and Transport in the Heliosphere (iPATH) model, we model an example gradual solar energetic particle event as observed at multiple locations. Protons and ions that are energized via the diffusive shock acceleration mechanism are followed at a 2D coronal mass ejection-driven shock where the shock geometry varies across the shock front. The subsequent transport of energetic particles, including cross-field diffusion, is modeled by a Monte Carlo code that is based on a stochastic differential equation method. Time intensity profiles and particle spectra at multiple locations and different radial distances, separated in longitudes, are presented. The results shown here are relevant to the upcoming Parker Solar Probe mission.

A Fatigue Model for Discontinuous Particulate-Reinforced Aluminum Alloy Composite: Influence of Microstructure

NASA Astrophysics Data System (ADS)

McCullough, R. R.; Jordon, J. B.; Brammer, A. T.; Manigandan, K.; Srivatsan, T. S.; Allison, P. G.; Rushing, T. W.

2014-01-01

In this paper, the use of a microstructure-sensitive fatigue model is put forth for the analysis of discontinuously reinforced aluminum alloy metal matrix composite. The fatigue model was used for a ceramic particle-reinforced aluminum alloy deformed under conditions of fully reversed strain control. Experimental results revealed the aluminum alloy to be strongly influenced by volume fraction of the particulate reinforcement phase under conditions of strain-controlled fatigue. The model safely characterizes the evolution of fatigue damage in this aluminum alloy composite into the distinct stages of crack initiation and crack growth culminating in failure. The model is able to capture the specific influence of particle volume fraction, particle size, and nearest neighbor distance in quantifying fatigue life. The model yields good results for correlation of the predicted results with the experimental test results on the fatigue behavior of the chosen aluminum alloy for two different percentages of the ceramic particle reinforcement. Further, the model illustrates that both particle size and volume fraction are key factors that govern fatigue lifetime. This conclusion is well supported by fractographic observations of the cyclically deformed and failed specimens.

Forecast errors in dust vertical distributions over Rome (Italy): Multiple particle size representation and cloud contributions

NASA Astrophysics Data System (ADS)

Kishcha, P.; Alpert, P.; Shtivelman, A.; Krichak, S. O.; Joseph, J. H.; Kallos, G.; Katsafados, P.; Spyrou, C.; Gobbi, G. P.; Barnaba, F.; Nickovic, S.; PéRez, C.; Baldasano, J. M.

2007-08-01

In this study, forecast errors in dust vertical distributions were analyzed. This was carried out by using quantitative comparisons between dust vertical profiles retrieved from lidar measurements over Rome, Italy, performed from 2001 to 2003, and those predicted by models. Three models were used: the four-particle-size Dust Regional Atmospheric Model (DREAM), the older one-particle-size version of the SKIRON model from the University of Athens (UOA), and the pre-2006 one-particle-size Tel Aviv University (TAU) model. SKIRON and DREAM are initialized on a daily basis using the dust concentration from the previous forecast cycle, while the TAU model initialization is based on the Total Ozone Mapping Spectrometer aerosol index (TOMS AI). The quantitative comparison shows that (1) the use of four-particle-size bins in the dust modeling instead of only one-particle-size bins improves dust forecasts; (2) cloud presence could contribute to noticeable dust forecast errors in SKIRON and DREAM; and (3) as far as the TAU model is concerned, its forecast errors were mainly caused by technical problems with TOMS measurements from the Earth Probe satellite. As a result, dust forecast errors in the TAU model could be significant even under cloudless conditions. The DREAM versus lidar quantitative comparisons at different altitudes show that the model predictions are more accurate in the middle part of dust layers than in the top and bottom parts of dust layers.

Association of total mixed ration particle fractions retained on the Penn State Particle Separator with milk, fat, and protein yield lactation curves at the cow level.

PubMed

Caccamo, M; Ferguson, J D; Veerkamp, R F; Schadt, I; Petriglieri, R; Azzaro, G; Pozzebon, A; Licitra, G

2014-01-01

As part of a larger project aiming to develop management evaluation tools based on results from test-day (TD) models, the objective of this study was to examine the effect of physical composition of total mixed rations (TMR) tested quarterly from March 2006 through December 2008 on milk, fat, and protein yield curves for 25 herds in Ragusa, Sicily. A random regression sire-maternal grandsire model was used to estimate variance components for milk, fat, and protein yields fitted on a full data set, including 241,153 TD records from 9,809 animals in 42 herds recorded from 1995 through 2008. The model included parity, age at calving, year at calving, and stage of pregnancy as fixed effects. Random effects were herd × test date, sire and maternal grandsire additive genetic effect, and permanent environmental effect modeled using third-order Legendre polynomials. Model fitting was carried out using ASREML. Afterward, for the 25 herds involved in the study, 9 particle size classes were defined based on the proportions of TMR particles on the top (19-mm) and middle (8-mm) screen of the Penn State Particle Separator. Subsequently, the model with estimated variance components was used to examine the influence of TMR particle size class on milk, fat, and protein yield curves. An interaction was included with the particle size class and days in milk. The effect of the TMR particle size class was modeled using a ninth-order Legendre polynomial. Lactation curves were predicted from the model while controlling for TMR chemical composition (crude protein content of 15.5%, neutral detergent fiber of 40.7%, and starch of 19.7% for all classes), to have pure estimates of particle distribution not confounded by nutrient content of TMR. We found little effect of class of particle proportions on milk yield and fat yield curves. Protein yield was greater for sieve classes with 10.4 to 17.4% of TMR particles retained on the top (19-mm) sieve. Optimal distributions different from those recommended may reflect regional differences based on climate and types and quality of forages fed. Copyright © 2014 American Dairy Science Association. Published by Elsevier Inc. All rights reserved.

A theoretical perspective on particle acceleration by interplanetary shocks and the Solar Energetic Particle problem

NASA Astrophysics Data System (ADS)

Verkhoglyadova, Olga P.; Zank, Gary P.; Li, Gang

2015-02-01

Understanding the physics of Solar Energetic Particle (SEP) events is of importance to the general question of particle energization throughout the cosmos as well as playing a role in the technologically critical impact of space weather on society. The largest, and often most damaging, events are the so-called gradual SEP events, generally associated with shock waves driven by coronal mass ejections (CMEs). We review the current state of knowledge about particle acceleration at evolving interplanetary shocks with application to SEP events that occur in the inner heliosphere. Starting with a brief outline of recent theoretical progress in the field, we focus on current observational evidence that challenges conventional models of SEP events, including complex particle energy spectra, the blurring of the distinction between gradual and impulsive events, and the difference inherent in particle acceleration at quasi-parallel and quasi-perpendicular shocks. We also review the important problem of the seed particle population and its injection into particle acceleration at a shock. We begin by discussing the properties and characteristics of non-relativistic interplanetary shocks, from their formation close to the Sun to subsequent evolution through the inner heliosphere. The association of gradual SEP events with shocks is discussed. Several approaches to the energization of particles have been proposed, including shock drift acceleration, diffusive shock acceleration (DSA), acceleration by large-scale compression regions, acceleration by random velocity fluctuations (sometimes known as the "pump mechanism"), and others. We review these various mechanisms briefly and focus on the DSA mechanism. Much of our emphasis will be on our current understanding of the parallel and perpendicular diffusion coefficients for energetic particles and models of plasma turbulence in the vicinity of the shock. Because of its importance both to the DSA mechanism itself and to the particle composition of SEP events, we address in some detail the injection problem. Although steady-state models can improve our understanding of the diffusive shock acceleration mechanism, SEP events are inherently time-dependent. We therefore review the time-dependent theory of DSA in some detail, including estimating possible maximum particle energies and particle escape from the shock complex. We also discuss generalizations of the diffusive transport approach to modeling particle acceleration by considering a more general description based on the focused transport equation. The escape of accelerated particles from the shock requires that their subsequent transport in the interplanetary medium be modeled and the consequence of interplanetary transport can lead to the complex spectra and compositional profiles that are observed frequently. The different approaches to particle transport in the inner heliosphere are reviewed. The various numerical models that have been developed to solve the gradual SEP problem are reviewed. Explicit comparisons of modeling results with observations of large SEP events are discussed. A summary of current progress and the outlook on the SEP problem and remaining open questions conclude the review.

Direct measurement of the 3-dimensional DNA lesion distribution induced by energetic charged particles in a mouse model tissue

PubMed Central

Mirsch, Johanna; Tommasino, Francesco; Frohns, Antonia; Conrad, Sandro; Durante, Marco; Scholz, Michael; Friedrich, Thomas; Löbrich, Markus

2015-01-01

Charged particles are increasingly used in cancer radiotherapy and contribute significantly to the natural radiation risk. The difference in the biological effects of high-energy charged particles compared with X-rays or γ-rays is determined largely by the spatial distribution of their energy deposition events. Part of the energy is deposited in a densely ionizing manner in the inner part of the track, with the remainder spread out more sparsely over the outer track region. Our knowledge about the dose distribution is derived solely from modeling approaches and physical measurements in inorganic material. Here we exploited the exceptional sensitivity of γH2AX foci technology and quantified the spatial distribution of DNA lesions induced by charged particles in a mouse model tissue. We observed that charged particles damage tissue nonhomogenously, with single cells receiving high doses and many other cells exposed to isolated damage resulting from high-energy secondary electrons. Using calibration experiments, we transformed the 3D lesion distribution into a dose distribution and compared it with predictions from modeling approaches. We obtained a radial dose distribution with sub-micrometer resolution that decreased with increasing distance to the particle path following a 1/r2 dependency. The analysis further revealed the existence of a background dose at larger distances from the particle path arising from overlapping dose deposition events from independent particles. Our study provides, to our knowledge, the first quantification of the spatial dose distribution of charged particles in biologically relevant material, and will serve as a benchmark for biophysical models that predict the biological effects of these particles. PMID:26392532

Integrating Geochemical Reactions with a Particle-Tracking Approach to Simulate Nitrogen Transport and Transformation in Aquifers

NASA Astrophysics Data System (ADS)

Cui, Z.; Welty, C.; Maxwell, R. M.

2011-12-01

Lagrangian, particle-tracking models are commonly used to simulate solute advection and dispersion in aquifers. They are computationally efficient and suffer from much less numerical dispersion than grid-based techniques, especially in heterogeneous and advectively-dominated systems. Although particle-tracking models are capable of simulating geochemical reactions, these reactions are often simplified to first-order decay and/or linear, first-order kinetics. Nitrogen transport and transformation in aquifers involves both biodegradation and higher-order geochemical reactions. In order to take advantage of the particle-tracking approach, we have enhanced an existing particle-tracking code SLIM-FAST, to simulate nitrogen transport and transformation in aquifers. The approach we are taking is a hybrid one: the reactive multispecies transport process is operator split into two steps: (1) the physical movement of the particles including the attachment/detachment to solid surfaces, which is modeled by a Lagrangian random-walk algorithm; and (2) multispecies reactions including biodegradation are modeled by coupling multiple Monod equations with other geochemical reactions. The coupled reaction system is solved by an ordinary differential equation solver. In order to solve the coupled system of equations, after step 1, the particles are converted to grid-based concentrations based on the mass and position of the particles, and after step 2 the newly calculated concentration values are mapped back to particles. The enhanced particle-tracking code is capable of simulating subsurface nitrogen transport and transformation in a three-dimensional domain with variably saturated conditions. Potential application of the enhanced code is to simulate subsurface nitrogen loading to the Chesapeake Bay and its tributaries. Implementation details, verification results of the enhanced code with one-dimensional analytical solutions and other existing numerical models will be presented in addition to a discussion of implementation challenges.

Dynamical clustering of red blood cells in capillary vessels.

PubMed

Boryczko, Krzysztof; Dzwinel, Witold; Yuen, David A

2003-02-01

We have modeled the dynamics of a 3-D system consisting of red blood cells (RBCs), plasma and capillary walls using a discrete-particle approach. The blood cells and capillary walls are composed of a mesh of particles interacting with harmonic forces between nearest neighbors. We employ classical mechanics to mimic the elastic properties of RBCs with a biconcave disk composed of a mesh of spring-like particles. The fluid particle method allows for modeling the plasma as a particle ensemble, where each particle represents a collective unit of fluid, which is defined by its mass, moment of inertia, translational and angular momenta. Realistic behavior of blood cells is modeled by considering RBCs and plasma flowing through capillaries of various shapes. Three types of vessels are employed: a pipe with a choking point, a curved vessel and bifurcating capillaries. There is a strong tendency to produce RBC clusters in capillaries. The choking points and other irregularities in geometry influence both the flow and RBC shapes, considerably increasing the clotting effect. We also discuss other clotting factors coming from the physical properties of blood, such as the viscosity of the plasma and the elasticity of the RBCs. Modeling has been carried out with adequate resolution by using 1 to 10 million particles. Discrete particle simulations open a new pathway for modeling the dynamics of complex, viscoelastic fluids at the microscale, where both liquid and solid phases are treated with discrete particles. Figure A snapshot from fluid particle simulation of RBCs flowing along a curved capillary. The red color corresponds to the highest velocity. We can observe aggregation of RBCs at places with the most stagnant plasma flow.

Modelling sheet-flow sediment transport in wave-bottom boundary layers using discrete-element modelling.

PubMed

Calantoni, Joseph; Holland, K Todd; Drake, Thomas G

2004-09-15

Sediment transport in oscillatory boundary layers is a process that drives coastal geomorphological change. Most formulae for bed-load transport in nearshore regions subsume the smallest-scale physics of the phenomena by parametrizing interactions amongst particles. In contrast, we directly simulate granular physics in the wave-bottom boundary layer using a discrete-element model comprised of a three-dimensional particle phase coupled to a one-dimensional fluid phase via Newton's third law through forces of buoyancy, drag and added mass. The particulate sediment phase is modelled using discrete particles formed to approximate natural grains by overlapping two spheres. Both the size of each sphere and the degree of overlap can be varied for these composite particles to generate a range of non-spherical grains. Simulations of particles having a range of shapes showed that the critical angle--the angle at which a grain pile will fail when tilted slowly from rest--increases from approximately 26 degrees for spherical particles to nearly 39 degrees for highly non-spherical composite particles having a dumbbell shape. Simulations of oscillatory sheet flow were conducted using composite particles with an angle of repose of approximately 33 degrees and a Corey shape factor greater than about 0.8, similar to the properties of beach sand. The results from the sheet-flow simulations with composite particles agreed more closely with laboratory measurements than similar simulations conducted using spherical particles. The findings suggest that particle shape may be an important factor for determining bed-load flux, particularly for larger bed slopes.

Multiscale modeling of particle in suspension with smoothed dissipative particle dynamics

NASA Astrophysics Data System (ADS)

Bian, Xin; Litvinov, Sergey; Qian, Rui; Ellero, Marco; Adams, Nikolaus A.

2012-01-01

We apply smoothed dissipative particle dynamics (SDPD) [Español and Revenga, Phys. Rev. E 67, 026705 (2003)] to model solid particles in suspension. SDPD is a thermodynamically consistent version of smoothed particle hydrodynamics (SPH) and can be interpreted as a multiscale particle framework linking the macroscopic SPH to the mesoscopic dissipative particle dynamics (DPD) method. Rigid structures of arbitrary shape embedded in the fluid are modeled by frozen particles on which artificial velocities are assigned in order to satisfy exactly the no-slip boundary condition on the solid-liquid interface. The dynamics of the rigid structures is decoupled from the solvent by solving extra equations for the rigid body translational/angular velocities derived from the total drag/torque exerted by the surrounding liquid. The correct scaling of the SDPD thermal fluctuations with the fluid-particle size allows us to describe the behavior of the particle suspension on spatial scales ranging continuously from the diffusion-dominated regime typical of sub-micron-sized objects towards the non-Brownian regime characterizing macro-continuum flow conditions. Extensive tests of the method are performed for the case of two/three dimensional bulk particle-system both in Brownian/ non-Brownian environment showing numerical convergence and excellent agreement with analytical theories. Finally, to illustrate the ability of the model to couple with external boundary geometries, the effect of confinement on the diffusional properties of a single sphere within a micro-channel is considered, and the dependence of the diffusion coefficient on the wall-separation distance is evaluated and compared with available analytical results.

Nonlinear Monte Carlo model of superdiffusive shock acceleration with magnetic field amplification

NASA Astrophysics Data System (ADS)

Bykov, Andrei M.; Ellison, Donald C.; Osipov, Sergei M.

2017-03-01

Fast collisionless shocks in cosmic plasmas convert their kinetic energy flow into the hot downstream thermal plasma with a substantial fraction of energy going into a broad spectrum of superthermal charged particles and magnetic fluctuations. The superthermal particles can penetrate into the shock upstream region producing an extended shock precursor. The cold upstream plasma flow is decelerated by the force provided by the superthermal particle pressure gradient. In high Mach number collisionless shocks, efficient particle acceleration is likely coupled with turbulent magnetic field amplification (MFA) generated by the anisotropic distribution of accelerated particles. This anisotropy is determined by fast particle transport, making the problem strongly nonlinear and multiscale. Here, we present a nonlinear Monte Carlo model of collisionless shock structure with superdiffusive propagation of high-energy Fermi accelerated particles coupled to particle acceleration and MFA, which affords a consistent description of strong shocks. A distinctive feature of the Monte Carlo technique is that it includes the full angular anisotropy of the particle distribution at all precursor positions. The model reveals that the superdiffusive transport of energetic particles (i.e., Lévy-walk propagation) generates a strong quadruple anisotropy in the precursor particle distribution. The resultant pressure anisotropy of the high-energy particles produces a nonresonant mirror-type instability that amplifies compressible wave modes with wavelengths longer than the gyroradii of the highest-energy protons produced by the shock.

Fate and Transport of Nanoparticles in Porous Media: A Numerical Study

NASA Astrophysics Data System (ADS)

Taghavy, Amir

Understanding the transport characteristics of NPs in natural soil systems is essential to revealing their potential impact on the food chain and groundwater. In addition, many nanotechnology-based remedial measures require effective transport of NPs through soil, which necessitates accurate understanding of their transport and retention behavior. Based upon the conceptual knowledge of environmental behavior of NPs, mathematical models can be developed to represent the coupling of processes that govern the fate of NPs in subsurface, serving as effective tools for risk assessment and/or design of remedial strategies. This work presents an innovative hybrid Eulerian-Lagrangian modeling technique for simulating the simultaneous reactive transport of nanoparticles (NPs) and dissolved constituents in porous media. Governing mechanisms considered in the conceptual model include particle-soil grain, particle-particle, particle-dissolved constituents, and particle- oil/water interface interactions. The main advantage of this technique, compared to conventional Eulerian models, lies in its ability to address non-uniformity in physicochemical particle characteristics. The developed numerical simulator was applied to investigate the fate and transport of NPs in a number of practical problems relevant to the subsurface environment. These problems included: (1) reductive dechlorination of chlorinated solvents by zero-valent iron nanoparticles (nZVI) in dense non-aqueous phase liquid (DNAPL) source zones; (2) reactive transport of dissolving silver nanoparticles (nAg) and the dissolved silver ions; (3) particle-particle interactions and their effects on the particle-soil grain interactions; and (4) influence of particle-oil/water interface interactions on NP transport in porous media.

Statistics of particle time-temperature histories.

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

Hewson, John C.; Lignell, David O.; Sun, Guangyuan

2014-10-01

Particles in non - isothermal turbulent flow are subject to a stochastic environment tha t produces a distribution of particle time - temperature histories. This distribution is a function of the dispersion of the non - isothermal (continuous) gas phase and the distribution of particles relative to that gas phase. In this work we extend the one - dimensional turbulence (ODT) model to predict the joint dispersion of a dispersed particle phase and a continuous phase. The ODT model predicts the turbulent evolution of continuous scalar fields with a model for the cascade of fluctuations to smaller sc ales (themore » 'triplet map') at a rate that is a function of the fully resolved one - dimens ional velocity field . Stochastic triplet maps also drive Lagrangian particle dispersion with finite Stokes number s including inertial and eddy trajectory - crossing effect s included. Two distinct approaches to this coupling between triplet maps and particle dispersion are developed and implemented along with a hybrid approach. An 'instantaneous' particle displacement model matches the tracer particle limit and provide s an accurate description of particle dispersion. A 'continuous' particle displacement m odel translates triplet maps into a continuous velocity field to which particles respond. Particles can alter the turbulence, and modifications to the stochastic rate expr ession are developed for two - way coupling between particles and the continuous phase. Each aspect of model development is evaluated in canonical flows (homogeneous turbulence, free - shear flows and wall - bounded flows) for which quality measurements are ava ilable. ODT simulations of non - isothermal flows provide statistics for particle heating. These simulations show the significance of accurately predicting the joint statistics of particle and fluid dispersion . Inhomogeneous turbulence coupled with the in fluence of the mean flow fields on particles of varying properties alter s particle dispersion. The joint particle - temperature dispersion leads to a distribution of temperature histories predicted by the ODT . Predictions are shown for the lower moments an d the full distributions of the particle positions, particle - observed gas temperatures and particle temperatures. An analysis of the time scales affecting particle - temperature interactions covers Lagrangian integral time scales based on temperature autoco rrelations, rates of temperature change associated with particle motion relative to the temperature field and rates of diffusional change of temperatures. These latter two time scales have not been investigated previously; they are shown to be strongly in termittent having peaked distributions with long tails. The logarithm of the absolute value of these time scales exhibits a distribution closer to normal. A cknowledgements This work is supported by the Defense Threat Reduction Agency (DTRA) under their Counter - Weapons of Mass Destruction Basic Research Program in the area of Chemical and Biological Agent Defeat under award number HDTRA1 - 11 - 4503I to Sandia National Laboratories. The authors would like to express their appreciation for the guidance provi ded by Dr. Suhithi Peiris to this project and to the Science to Defeat Weapons of Mass Destruction program.« less

Mathematical Model of Transfer and Deposition of Finely Dispersed Particles in a Turbulent Flow of Emulsions and Suspensions

NASA Astrophysics Data System (ADS)

Laptev, A. G.; Basharov, M. M.

2018-05-01

The problem of modeling turbulent transfer of finely dispersed particles in liquids has been considered. An approach is used where the transport of particles is represented in the form of a variety of the diffusion process with the coefficient of turbulent transfer to the wall. Differential equations of transfer are written for different cases, and a solution of the cell model is obtained for calculating the efficiency of separation in a channel. Based on the theory of turbulent transfer of particles and of the boundary layer model, an expression has been obtained for calculating the rate of turbulent deposition of finely dispersed particles. The application of this expression in determining the efficiency of physical coagulation of emulsions in different channels and on the surface of chaotic packings is shown.

Mathematical Model of Transfer and Deposition of Finely Dispersed Particles in a Turbulent Flow of Emulsions and Suspensions

NASA Astrophysics Data System (ADS)

Laptev, A. G.; Basharov, M. M.

2018-03-01

The problem of modeling turbulent transfer of finely dispersed particles in liquids has been considered. An approach is used where the transport of particles is represented in the form of a variety of the diffusion process with the coefficient of turbulent transfer to the wall. Differential equations of transfer are written for different cases, and a solution of the cell model is obtained for calculating the efficiency of separation in a channel. Based on the theory of turbulent transfer of particles and of the boundary layer model, an expression has been obtained for calculating the rate of turbulent deposition of finely dispersed particles. The application of this expression in determining the efficiency of physical coagulation of emulsions in different channels and on the surface of chaotic packings is shown.

The effect of model fidelity on prediction of char burnout for single-particle coal combustion

DOE PAGES

McConnell, Josh; Sutherland, James C.

2016-07-09

In this study, practical simulation of industrial-scale coal combustion relies on the ability to accurately capture the dynamics of coal subprocesses while also ensuring the computational cost remains reasonable. The majority of the residence time occurs post-devolatilization, so it is of great importance that a balance between the computational efficiency and accuracy of char combustion models is carefully considered. In this work, we consider the importance of model fidelity during char combustion by comparing combinations of simple and complex gas and particle-phase chemistry models. Detailed kinetics based on the GRI 3.0 mechanism and infinitely-fast chemistry are considered in the gas-phase.more » The Char Conversion Kinetics model and nth-Order Langmuir–Hinshelwood model are considered for char consumption. For devolatilization, the Chemical Percolation and Devolatilization and Kobayashi-Sarofim models are employed. The relative importance of gasification versus oxidation reactions in air and oxyfuel environments is also examined for various coal types. Results are compared to previously published experimental data collected under laminar, single-particle conditions. Calculated particle temperature histories are strongly dependent on the choice of gas phase and char chemistry models, but only weakly dependent on the chosen devolatilization model. Particle mass calculations were found to be very sensitive to the choice of devolatilization model, but only somewhat sensitive to the choice of gas chemistry and char chemistry models. High-fidelity models for devolatilization generally resulted in particle temperature and mass calculations that were closer to experimentally observed values.« less

The effect of model fidelity on prediction of char burnout for single-particle coal combustion

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

McConnell, Josh; Sutherland, James C.

In this study, practical simulation of industrial-scale coal combustion relies on the ability to accurately capture the dynamics of coal subprocesses while also ensuring the computational cost remains reasonable. The majority of the residence time occurs post-devolatilization, so it is of great importance that a balance between the computational efficiency and accuracy of char combustion models is carefully considered. In this work, we consider the importance of model fidelity during char combustion by comparing combinations of simple and complex gas and particle-phase chemistry models. Detailed kinetics based on the GRI 3.0 mechanism and infinitely-fast chemistry are considered in the gas-phase.more » The Char Conversion Kinetics model and nth-Order Langmuir–Hinshelwood model are considered for char consumption. For devolatilization, the Chemical Percolation and Devolatilization and Kobayashi-Sarofim models are employed. The relative importance of gasification versus oxidation reactions in air and oxyfuel environments is also examined for various coal types. Results are compared to previously published experimental data collected under laminar, single-particle conditions. Calculated particle temperature histories are strongly dependent on the choice of gas phase and char chemistry models, but only weakly dependent on the chosen devolatilization model. Particle mass calculations were found to be very sensitive to the choice of devolatilization model, but only somewhat sensitive to the choice of gas chemistry and char chemistry models. High-fidelity models for devolatilization generally resulted in particle temperature and mass calculations that were closer to experimentally observed values.« less

Evaluation of Aerosol Mixing State Classes in the GISS Modele-matrix Climate Model Using Single-particle Mass Spectrometry Measurements

NASA Technical Reports Server (NTRS)

Bauer, Susanne E.; Ault, Andrew; Prather, Kimberly A.

2013-01-01

Aerosol particles in the atmosphere are composed of multiple chemical species. The aerosol mixing state, which describes how chemical species are mixed at the single-particle level, provides critical information on microphysical characteristics that determine the interaction of aerosols with the climate system. The evaluation of mixing state has become the next challenge. This study uses aerosol time-of-flight mass spectrometry (ATOFMS) data and compares the results to those of the Goddard Institute for Space Studies modelE-MATRIX (Multiconfiguration Aerosol TRacker of mIXing state) model, a global climate model that includes a detailed aerosol microphysical scheme. We use data from field campaigns that examine a variety of air mass regimens (urban, rural, and maritime). At all locations, polluted areas in California (Riverside, La Jolla, and Long Beach), a remote location in the Sierra Nevada Mountains (Sugar Pine) and observations from Jeju (South Korea), the majority of aerosol species are internally mixed. Coarse aerosol particles, those above 1 micron, are typically aged, such as coated dust or reacted sea-salt particles. Particles below 1 micron contain large fractions of organic material, internally-mixed with sulfate and black carbon, and few external mixtures. We conclude that observations taken over multiple weeks characterize typical air mass types at a given location well; however, due to the instrumentation, we could not evaluate mass budgets. These results represent the first detailed comparison of single-particle mixing states in a global climate model with real-time single-particle mass spectrometry data, an important step in improving the representation of mixing state in global climate models.

Modeling of Abrasion and Crushing of Unbound Granular Materials During Compaction

NASA Astrophysics Data System (ADS)

Ocampo, Manuel S.; Caicedo, Bernardo

2009-06-01

Unbound compacted granular materials are commonly used in engineering structures as layers in road pavements, railroad beds, highway embankments, and foundations. These structures are generally subjected to dynamic loading by construction operations, traffic and wheel loads. These repeated or cyclic loads cause abrasion and crushing of the granular materials. Abrasion changes a particle's shape, and crushing divides the particle into a mixture of many small particles of varying sizes. Particle breakage is important because the mechanical and hydraulic properties of these materials depend upon their grain size distribution. Therefore, it is important to evaluate the evolution of the grain size distribution of these materials. In this paper an analytical model for unbound granular materials is proposed in order to evaluate particle crushing of gravels and soils subjected to cyclic loads. The model is based on a Markov chain which describes the development of grading changes in the material as a function of stress levels. In the model proposed, each particle size is a state in the system, and the evolution of the material is the movement of particles from one state to another in n steps. Each step is a load cycle, and movement between states is possible with a transition probability. The crushing of particles depends on the mechanical properties of each grain and the packing density of the granular material. The transition probability was calculated using both the survival probability defined by Weibull and the compressible packing model developed by De Larrard. Material mechanical properties are considered using the Weibull probability theory. The size and shape of the grains, as well as the method of processing the packing density are considered using De Larrard's model. Results of the proposed analytical model show a good agreement with the experimental tests carried out using the gyratory compaction test.

Computational analysis of electrical conduction in hybrid nanomaterials with embedded non-penetrating conductive particles

NASA Astrophysics Data System (ADS)

Cai, Jizhe; Naraghi, Mohammad

2016-08-01

In this work, a comprehensive multi-resolution two-dimensional (2D) resistor network model is proposed to analyze the electrical conductivity of hybrid nanomaterials made of insulating matrix with conductive particles such as CNT reinforced nanocomposites and thick film resistors. Unlike existing approaches, our model takes into account the impenetrability of the particles and their random placement within the matrix. Moreover, our model presents a detailed description of intra-particle conductivity via finite element analysis, which to the authors’ best knowledge has not been addressed before. The inter-particle conductivity is assumed to be primarily due to electron tunneling. The model is then used to predict the electrical conductivity of electrospun carbon nanofibers as a function of microstructural parameters such as turbostratic domain alignment and aspect ratio. To simulate the microstructure of single CNF, randomly positioned nucleation sites were seeded and grown as turbostratic particles with anisotropic growth rates. Particle growth was in steps and growth of each particle in each direction was stopped upon contact with other particles. The study points to the significant contribution of both intra-particle and inter-particle conductivity to the overall conductivity of hybrid composites. Influence of particle alignment and anisotropic growth rate ratio on electrical conductivity is also discussed. The results show that partial alignment in contrast to complete alignment can result in maximum electrical conductivity of whole CNF. High degrees of alignment can adversely affect conductivity by lowering the probability of the formation of a conductive path. The results demonstrate approaches to enhance electrical conductivity of hybrid materials through controlling their microstructure which is applicable not only to carbon nanofibers, but also many other types of hybrid composites such as thick film resistors.

Application of randomly oriented spheroids for retrieval of dust particle parameters from multiwavelength lidar measurements

NASA Astrophysics Data System (ADS)

Veselovskii, I.; Dubovik, O.; Kolgotin, A.; Lapyonok, T.; di Girolamo, P.; Summa, D.; Whiteman, D. N.; Mishchenko, M.; Tanré, D.

2010-11-01

Multiwavelength (MW) Raman lidars have demonstrated their potential to profile particle parameters; however, until now, the physical models used in retrieval algorithms for processing MW lidar data have been predominantly based on the Mie theory. This approach is applicable to the modeling of light scattering by spherically symmetric particles only and does not adequately reproduce the scattering by generally nonspherical desert dust particles. Here we present an algorithm based on a model of randomly oriented spheroids for the inversion of multiwavelength lidar data. The aerosols are modeled as a mixture of two aerosol components: one composed only of spherical and the second composed of nonspherical particles. The nonspherical component is an ensemble of randomly oriented spheroids with size-independent shape distribution. This approach has been integrated into an algorithm retrieving aerosol properties from the observations with a Raman lidar based on a tripled Nd:YAG laser. Such a lidar provides three backscattering coefficients, two extinction coefficients, and the particle depolarization ratio at a single or multiple wavelengths. Simulations were performed for a bimodal particle size distribution typical of desert dust particles. The uncertainty of the retrieved particle surface, volume concentration, and effective radius for 10% measurement errors is estimated to be below 30%. We show that if the effect of particle nonsphericity is not accounted for, the errors in the retrieved aerosol parameters increase notably. The algorithm was tested with experimental data from a Saharan dust outbreak episode, measured with the BASIL multiwavelength Raman lidar in August 2007. The vertical profiles of particle parameters as well as the particle size distributions at different heights were retrieved. It was shown that the algorithm developed provided substantially reasonable results consistent with the available independent information about the observed aerosol event.

Stochastic four-way coupling of gas-solid flows for Large Eddy Simulations

NASA Astrophysics Data System (ADS)

Curran, Thomas; Denner, Fabian; van Wachem, Berend

2017-11-01

The interaction of solid particles with turbulence has for long been a topic of interest for predicting the behavior of industrially relevant flows. For the turbulent fluid phase, Large Eddy Simulation (LES) methods are widely used for their low computational cost, leaving only the sub-grid scales (SGS) of turbulence to be modelled. Although LES has seen great success in predicting the behavior of turbulent single-phase flows, the development of LES for turbulent gas-solid flows is still in its infancy. This contribution aims at constructing a model to describe the four-way coupling of particles in an LES framework, by considering the role particles play in the transport of turbulent kinetic energy across the scales. Firstly, a stochastic model reconstructing the sub-grid velocities for the particle tracking is presented. Secondly, to solve particle-particle interaction, most models involve a deterministic treatment of the collisions. We finally introduce a stochastic model for estimating the collision probability. All results are validated against fully resolved DNS-DPS simulations. The final goal of this contribution is to propose a global stochastic method adapted to two-phase LES simulation where the number of particles considered can be significantly increased. Financial support from PetroBras is gratefully acknowledged.

Developing a particle tracking surrogate model to improve inversion of ground water - Surface water models

NASA Astrophysics Data System (ADS)

Cousquer, Yohann; Pryet, Alexandre; Atteia, Olivier; Ferré, Ty P. A.; Delbart, Célestine; Valois, Rémi; Dupuy, Alain

2018-03-01

The inverse problem of groundwater models is often ill-posed and model parameters are likely to be poorly constrained. Identifiability is improved if diverse data types are used for parameter estimation. However, some models, including detailed solute transport models, are further limited by prohibitive computation times. This often precludes the use of concentration data for parameter estimation, even if those data are available. In the case of surface water-groundwater (SW-GW) models, concentration data can provide SW-GW mixing ratios, which efficiently constrain the estimate of exchange flow, but are rarely used. We propose to reduce computational limits by simulating SW-GW exchange at a sink (well or drain) based on particle tracking under steady state flow conditions. Particle tracking is used to simulate advective transport. A comparison between the particle tracking surrogate model and an advective-dispersive model shows that dispersion can often be neglected when the mixing ratio is computed for a sink, allowing for use of the particle tracking surrogate model. The surrogate model was implemented to solve the inverse problem for a real SW-GW transport problem with heads and concentrations combined in a weighted hybrid objective function. The resulting inversion showed markedly reduced uncertainty in the transmissivity field compared to calibration on head data alone.

Model of lidar range-Doppler signatures of solid rocket fuel plumes

NASA Astrophysics Data System (ADS)

Bankman, Isaac N.; Giles, John W.; Chan, Stephen C.; Reed, Robert A.

2004-09-01

The analysis of particles produced by solid rocket motor fuels relates to two types of studies: the effect of these particles on the Earth's ozone layer, and the dynamic flight behavior of solid fuel boosters used by the NASA Space Shuttle. Since laser backscatter depends on the particle size and concentration, a lidar system can be used to analyze the particle distributions inside a solid rocket plume in flight. We present an analytical model that simulates the lidar returns from solid rocket plumes including effects of beam profile, spot size, polarization and sensing geometry. The backscatter and extinction coefficients of alumina particles are computed with the T-matrix method that can address non-spherical particles. The outputs of the model include time-resolved return pulses and range-Doppler signatures. Presented examples illustrate the effects of sensing geometry.

Wake-Driven Dynamics of Finite-Sized Buoyant Spheres in Turbulence

NASA Astrophysics Data System (ADS)

Mathai, Varghese; Prakash, Vivek N.; Brons, Jon; Sun, Chao; Lohse, Detlef

2015-09-01

Particles suspended in turbulent flows are affected by the turbulence and at the same time act back on the flow. The resulting coupling can give rise to rich variability in their dynamics. Here we report experimental results from an investigation of finite-sized buoyant spheres in turbulence. We find that even a marginal reduction in the particle's density from that of the fluid can result in strong modification of its dynamics. In contrast to classical spatial filtering arguments and predictions of particle models, we find that the particle acceleration variance increases with size. We trace this reversed trend back to the growing contribution from wake-induced forces, unaccounted for in current particle models in turbulence. Our findings highlight the need for improved multiphysics based models that account for particle wake effects for a faithful representation of buoyant-sphere dynamics in turbulence.

Mathematical modelling of powder material motion and transportation in high-temperature flow core during plasma coatings application

NASA Astrophysics Data System (ADS)

Bogdanovich, V. I.; Giorbelidze, M. G.

2018-03-01

A problem of mathematical modelling of powder material motion and transportation in gas thermal flow core has been addressed. Undertaken studies indicate significant impact on dynamics of motion of sprayed particles of phenomenological law for drag coefficient and accounting momentum loss of a plasma jet upon acceleration of these particles and their diameter. It is determined that at great dispersion of spraying particles, they reach detail surface at different velocity and significant particles separation takes place at spraying spot. According to the results of mathematical modelling, requirements for admissible dispersion of diameters of particles used for spraying have been formulated. Research has also allowed reducing separation of particles at the spraying spot due to the selection of the method of powder feed to the anode channel of the plasma torch.

Advanced Multi-phase Flow CFD Model Development for Solid Rocket Motor Flowfield Analysis

NASA Technical Reports Server (NTRS)

Liaw, Paul; Chen, Yen-Sen

1995-01-01

A Navier-Stokes code, finite difference Navier-Stokes (FDNS), is used to analyze the complicated internal flowfield of the SRM (solid rocket motor) to explore the impacts due to the effects of chemical reaction, particle dynamics, and slag accumulation on the solid rocket motor (SRM). The particulate multi-phase flowfield with chemical reaction, particle evaporation, combustion, breakup, and agglomeration models are included in present study to obtain a better understanding of the SRM design. Finite rate chemistry model is applied to simulate the chemical reaction effects. Hermsen correlation model is used for the combustion simulation. The evaporation model introduced by Spalding is utilized to include the heat transfer from the particulate phase to the gase phase due to the evaporation of the particles. A correlation of the minimum particle size for breakup expressed in terms of the Al/Al2O3 surface tension and shear force was employed to simulate the breakup of particles. It is assumed that the breakup occurs when the Weber number exceeds 6. A simple L agglomeration model is used to investigate the particle agglomeration. However, due to the large computer memory requirements for the agglomeration model, only 2D cases are tested with the agglomeration model. The VOF (Volume of Fluid) method is employed to simulate the slag buildup in the aft-end cavity of the redesigned solid rocket motor (RSRM). Monte Carlo method is employed to calculate the turbulent dispersion effect of the particles. The flowfield analysis obtained using the FDNS code in the present research with finite rate chemical reaction, particle evaporation, combustion, breakup, agglomeration, and VOG models will provide a design guide for the potential improvement of the SRM including the use of materials and the shape of nozzle geometry such that a better performance of the SRM can be achieved. The simulation of the slag buildup in the aft-end cavity can assist the designer to improve the design of the RSRM geometry.

ISDD: A computational model of particle sedimentation, diffusion and target cell dosimetry for in vitro toxicity studies

PubMed Central

2010-01-01

Background The difficulty of directly measuring cellular dose is a significant obstacle to application of target tissue dosimetry for nanoparticle and microparticle toxicity assessment, particularly for in vitro systems. As a consequence, the target tissue paradigm for dosimetry and hazard assessment of nanoparticles has largely been ignored in favor of using metrics of exposure (e.g. μg particle/mL culture medium, particle surface area/mL, particle number/mL). We have developed a computational model of solution particokinetics (sedimentation, diffusion) and dosimetry for non-interacting spherical particles and their agglomerates in monolayer cell culture systems. Particle transport to cells is calculated by simultaneous solution of Stokes Law (sedimentation) and the Stokes-Einstein equation (diffusion). Results The In vitro Sedimentation, Diffusion and Dosimetry model (ISDD) was tested against measured transport rates or cellular doses for multiple sizes of polystyrene spheres (20-1100 nm), 35 nm amorphous silica, and large agglomerates of 30 nm iron oxide particles. Overall, without adjusting any parameters, model predicted cellular doses were in close agreement with the experimental data, differing from as little as 5% to as much as three-fold, but in most cases approximately two-fold, within the limits of the accuracy of the measurement systems. Applying the model, we generalize the effects of particle size, particle density, agglomeration state and agglomerate characteristics on target cell dosimetry in vitro. Conclusions Our results confirm our hypothesis that for liquid-based in vitro systems, the dose-rates and target cell doses for all particles are not equal; they can vary significantly, in direct contrast to the assumption of dose-equivalency implicit in the use of mass-based media concentrations as metrics of exposure for dose-response assessment. The difference between equivalent nominal media concentration exposures on a μg/mL basis and target cell doses on a particle surface area or number basis can be as high as three to six orders of magnitude. As a consequence, in vitro hazard assessments utilizing mass-based exposure metrics have inherently high errors where particle number or surface areas target cells doses are believed to drive response. The gold standard for particle dosimetry for in vitro nanotoxicology studies should be direct experimental measurement of the cellular content of the studied particle. However, where such measurements are impractical, unfeasible, and before such measurements become common, particle dosimetry models such as ISDD provide a valuable, immediately useful alternative, and eventually, an adjunct to such measurements. PMID:21118529

The simulations of sulfuric acid concentration and new particle formation in an urban atmosphere in China

NASA Astrophysics Data System (ADS)

Wang, Z. B.; Hu, M.; Mogensen, D.; Yue, D. L.; Zheng, J.; Zhang, R. Y.; Liu, Y.; Yuan, B.; Li, X.; Shao, M.; Zhou, L.; Wu, Z. J.; Wiedensohler, A.; Boy, M.

2013-11-01

Simulations of sulfuric acid concentration and new particle formation are performed by using the zero-dimensional version of the model MALTE (Model to predict new Aerosol formation in the Lower TropospherE) and measurements from the Campaign of Air Quality Research in Beijing and Surrounding areas (CAREBeijing) in 2008. Chemical reactions from the Master Chemical Mechanism version 3.2 (MCM v3.2) are used in the model. High correlation (slope = 0.72, R = 0.74) between the modelled and observed sulfuric acid concentrations is found during daytime (06:00-18:00). The aerosol dynamics are simulated by the University of Helsinki Multicomponent Aerosol (UHMA) model including several nucleation mechanisms. The results indicate that the model is able to predict the on- and offset of new particle formation in an urban atmosphere in China. In addition, the number concentrations of newly formed particles in kinetic-type nucleation including homogenous homomolecular (J=K[H2SO4]2) and homogenous heteromolecular nucleation involving organic vapours (J=Khet[H2SO4][Org]) are in satisfactory agreement with the observations. However, the specific organic compounds that possibly participate in the nucleation process should be investigated in further studies. For the particle growth, only a small fraction of the oxidized total organics condense onto the particles in polluted environments. Meanwhile, the OH and O3 oxidation mechanism contribute 5.5% and 94.5% to the volume concentration of small particles, indicating the particle growth is more controlled by the precursor gases and their oxidation by O3.

Three-dimensional Kinetic Pulsar Magnetosphere Models: Connecting to Gamma-Ray Observations

NASA Astrophysics Data System (ADS)

Kalapotharakos, Constantinos; Brambilla, Gabriele; Timokhin, Andrey; Harding, Alice K.; Kazanas, Demosthenes

2018-04-01

We present three-dimensional (3D) global kinetic pulsar magnetosphere models, where the charged particle trajectories and the corresponding electromagnetic fields are treated self-consistently. For our study, we have developed a Cartesian 3D relativistic particle-in-cell code that incorporates radiation reaction forces. We describe our code and discuss the related technical issues, treatments, and assumptions. Injecting particles up to large distances in the magnetosphere, we apply arbitrarily low to high particle injection rates, and obtain an entire spectrum of solutions from close to the vacuum-retarded dipole to close to the force-free (FF) solution, respectively. For high particle injection rates (close to FF solutions), significant accelerating electric field components are confined only near the equatorial current sheet outside the light cylinder. A judicious interpretation of our models allows the particle emission to be calculated, and consequently, the corresponding realistic high-energy sky maps and spectra to be derived. Using model parameters that cover the entire range of spin-down powers of Fermi young and millisecond pulsars, we compare the corresponding model γ-ray light curves, cutoff energies, and total γ-ray luminosities with those observed by Fermi to discover a dependence of the particle injection rate, { \\mathcal F }, on the spin-down power, \\dot{{ \\mathcal E }}, indicating an increase of { \\mathcal F } with \\dot{{ \\mathcal E }}. Our models, guided by Fermi observations, provide field structures and particle distributions that are not only consistent with each other but also able to reproduce a broad range of the observed γ-ray phenomenologies of both young and millisecond pulsars.

The feasibility of using explicit method for linear correction of the particle size variation using NIR Spectroscopy combined with PLS2regression method

NASA Astrophysics Data System (ADS)

Yulia, M.; Suhandy, D.

2018-03-01

NIR spectra obtained from spectral data acquisition system contains both chemical information of samples as well as physical information of the samples, such as particle size and bulk density. Several methods have been established for developing calibration models that can compensate for sample physical information variations. One common approach is to include physical information variation in the calibration model both explicitly and implicitly. The objective of this study was to evaluate the feasibility of using explicit method to compensate the influence of different particle size of coffee powder in NIR calibration model performance. A number of 220 coffee powder samples with two different types of coffee (civet and non-civet) and two different particle sizes (212 and 500 µm) were prepared. Spectral data was acquired using NIR spectrometer equipped with an integrating sphere for diffuse reflectance measurement. A discrimination method based on PLS-DA was conducted and the influence of different particle size on the performance of PLS-DA was investigated. In explicit method, we add directly the particle size as predicted variable results in an X block containing only the NIR spectra and a Y block containing the particle size and type of coffee. The explicit inclusion of the particle size into the calibration model is expected to improve the accuracy of type of coffee determination. The result shows that using explicit method the quality of the developed calibration model for type of coffee determination is a little bit superior with coefficient of determination (R2) = 0.99 and root mean square error of cross-validation (RMSECV) = 0.041. The performance of the PLS2 calibration model for type of coffee determination with particle size compensation was quite good and able to predict the type of coffee in two different particle sizes with relatively high R2 pred values. The prediction also resulted in low bias and RMSEP values.

PARFUME Theory and Model basis Report

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

Darrell L. Knudson; Gregory K Miller; G.K. Miller

2009-09-01

The success of gas reactors depends upon the safety and quality of the coated particle fuel. The fuel performance modeling code PARFUME simulates the mechanical, thermal and physico-chemical behavior of fuel particles during irradiation. This report documents the theory and material properties behind vari¬ous capabilities of the code, which include: 1) various options for calculating CO production and fission product gas release, 2) an analytical solution for stresses in the coating layers that accounts for irradiation-induced creep and swelling of the pyrocarbon layers, 3) a thermal model that calculates a time-dependent temperature profile through a pebble bed sphere or amore » prismatic block core, as well as through the layers of each analyzed particle, 4) simulation of multi-dimensional particle behavior associated with cracking in the IPyC layer, partial debonding of the IPyC from the SiC, particle asphericity, and kernel migration (or amoeba effect), 5) two independent methods for determining particle failure probabilities, 6) a model for calculating release-to-birth (R/B) ratios of gaseous fission products that accounts for particle failures and uranium contamination in the fuel matrix, and 7) the evaluation of an accident condition, where a particle experiences a sudden change in temperature following a period of normal irradiation. The accident condi¬tion entails diffusion of fission products through the particle coating layers and through the fuel matrix to the coolant boundary. This document represents the initial version of the PARFUME Theory and Model Basis Report. More detailed descriptions will be provided in future revisions.« less

Bottles as models: predicting the effects of varying swimming speed and morphology on size selectivity and filtering efficiency in fishes.

PubMed

Paig-Tran, E W Misty; Bizzarro, Joseph J; Strother, James A; Summers, Adam P

2011-05-15

We created physical models based on the morphology of ram suspension-feeding fishes to better understand the roles morphology and swimming speed play in particle retention, size selectivity and filtration efficiency during feeding events. We varied the buccal length, flow speed and architecture of the gills slits, including the number, size, orientation and pore size/permeability, in our models. Models were placed in a recirculating flow tank with slightly negatively buoyant plankton-like particles (~20-2000 μm) collected at the simulated esophagus and gill rakers to locate the highest density of particle accumulation. Particles were captured through sieve filtration, direct interception and inertial impaction. Changing the number of gill slits resulted in a change in the filtration mechanism of particles from a bimodal filter, with very small (≤ 50 μm) and very large (>1000 μm) particles collected, to a filter that captured medium-sized particles (101-1000 μm). The number of particles collected on the gill rakers increased with flow speed and skewed the size distribution towards smaller particles (51-500 μm). Small pore sizes (105 and 200 μm mesh size) had the highest filtration efficiencies, presumably because sieve filtration played a significant role. We used our model to make predictions about the filtering capacity and efficiency of neonatal whale sharks. These results suggest that the filtration mechanics of suspension feeding are closely linked to an animal's swimming speed and the structural design of the buccal cavity and gill slits.

Steady-State Ion Beam Modeling with MICHELLE

NASA Astrophysics Data System (ADS)

Petillo, John

2003-10-01

There is a need to efficiently model ion beam physics for ion implantation, chemical vapor deposition, and ion thrusters. Common to all is the need for three-dimensional (3D) simulation of volumetric ion sources, ion acceleration, and optics, with the ability to model charge exchange of the ion beam with a background neutral gas. The two pieces of physics stand out as significant are the modeling of the volumetric source and charge exchange. In the MICHELLE code, the method for modeling the plasma sheath in ion sources assumes that the electron distribution function is a Maxwellian function of electrostatic potential over electron temperature. Charge exchange is the process by which a neutral background gas with a "fast" charged particle streaming through exchanges its electron with the charged particle. An efficient method for capturing this is essential, and the model presented is based on semi-empirical collision cross section functions. This appears to be the first steady-state 3D algorithm of its type to contain multiple generations of charge exchange, work with multiple species and multiple charge state beam/source particles simultaneously, take into account the self-consistent space charge effects, and track the subsequent fast neutral particles. The solution used by MICHELLE is to combine finite element analysis with particle-in-cell (PIC) methods. The basic physics model is based on the equilibrium steady-state application of the electrostatic particle-in-cell (PIC) approximation employing a conformal computational mesh. The foundation stems from the same basic model introduced in codes such as EGUN. Here, Poisson's equation is used to self-consistently include the effects of space charge on the fields, and the relativistic Lorentz equation is used to integrate the particle trajectories through those fields. The presentation will consider the complexity of modeling ion thrusters.

CORSAIR Solar Energetic Particle Model

NASA Astrophysics Data System (ADS)

Sandroos, A.

2013-05-01

Acceleration of particles in coronal mass ejection (CME) driven shock waves is the most commonly accepted and best developed theory of the genesis of gradual solar energetic particle (SEP) events. The underlying acceleration mechanism is the diffusive shock acceleration (DSA). According to DSA, particles scatter from fluctuations present in the ambient magnetic field, which causes some particles to encounter the shock front repeatedly and to gain energy during each crossing. Currently STEREO and near-Earth spacecraft are providing valuable multi-point information on how SEP properties, such as composition and energy spectra, vary in longitude. Initial results have shown that longitude distributions of large CME-associated SEP events are much wider than reported in earlier studies. These findings have important consequences on SEP modeling. It is important to extend the present models into two or three spatial coordinates to properly take into account the effects of coronal and interplanetary (IP) magnetic geometry, and evolution of the CME and the associated shock, on the acceleration and transport of SEPs. We give a status update on CORSAIR project, which is an effort to develop a new self-consistent (total energy conserving) DSA acceleration model that is capable of modeling energetic particle acceleration and transport in IP space in two or three spatial dimensions. In the new model particles are propagated using guiding center approximation. Waves are modeled as (Lagrangian) wave packets propagating (anti)parallel to ambient magnetic field. Diffusion coefficients related to scattering from the waves are calculated using quasilinear theory. State of ambient plasma is obtained from an MHD simulation or by using idealized analytic models. CORSAIR is an extension to our earlier efforts to model the effects of magnetic geometry on SEP acceleration (Sandroos & Vainio, 2007,2009).

Semi-transparent shock model for major solar energetic particle events

NASA Astrophysics Data System (ADS)

Kocharov, Leon

2014-05-01

Production of solar energetic particles in major events typically comprises two stages: (i) the initial stage associated with shocks and magnetic reconnection in solar corona and (ii) the main stage associated with the CME-bow shock in solar wind. The coronal emission of energetic particles from behind the interplanetary shock wave continues for about one hour , being not shielded by the CME shock in solar wind and having the prompt access to particle detectors at 1 AU. On occasion of two well-separated solar eruptions from the same active region, the newly accelerated solar particles may be emitted well behind the previous CME, and those solar particles may penetrate through the interplanetary shock of the previous CME to arrive at the Earth's orbit without significant delay, which is another evidence that high-energy particles from the solar corona can penetrate through travelling interplanetary shocks. Diffusive shock acceleration is fast only if the particle mean free path near the shock is small. The small mean free path (high turbulence level), however, implies that energetic particles from coronal sources could not penetrate through the interplanetary shock, and even the particles accelerated by the interplanetary shock itself could not escape to its far upstream region. If so, they could not be promptly observed at 1 AU. However, high-energy particles in major solar events are detected well before the shock arrival at 1 AU. The theoretical difficulty can be obviated in the framework of the proposed model of a "semitransparent" shock. As in situ plasma observations indicate, the turbulence energy levels in neighboring magnetic tubes of solar wind may differ from each other by more than one order of magnitude. Such an intermittence of coronal and solar wind plasmas can affect energetic particle acceleration in coronal and interplanetary shocks. The new modeling incorporates particle acceleration in the shock front and the particle transport both in parallel to the magnetic field and in perpendicular to the magnetic field directions. The modeling suggests that the perpendicular diffusion is always essential for the energetic particle production, because particles can be accelerated in tubes with a high turbulence level and then escape to far upstream of the shock via neighboring, less turbulent tubes. We have modeled both the transmission of high-energy (>50 MeV) protons from coronal sources through the interplanetary shock wave and the interplanetary shock acceleration of ~1-10 MeV protons with subsequent transport to far upstream of the shock. The modeling results imply that presence of the fast transport channels penetrating the shock and the cross-field transport of accelerated particles to those channels may play a key role in the high-energy particle emission from distant shocks and can explain the prompt onset of major solar energetic particle events observed near the Earth's orbit.

Probability density function shape sensitivity in the statistical modeling of turbulent particle dispersion

NASA Technical Reports Server (NTRS)

Litchford, Ron J.; Jeng, San-Mou

1992-01-01

The performance of a recently introduced statistical transport model for turbulent particle dispersion is studied here for rigid particles injected into a round turbulent jet. Both uniform and isosceles triangle pdfs are used. The statistical sensitivity to parcel pdf shape is demonstrated.

A modeling study of the effect of gravity on airflow distribution and particle deposition in the lung.

PubMed

Asgharian, Bahman; Price, Owen; Oberdörster, Gunter

2006-06-01

Inhalation of particles generated as a result of thermal degradation from fire or smoke, as may occur on spacecraft, is of major health concern to space-faring countries. Knowledge of lung airflow and particle transport under different gravity environments is required to addresses this concern by providing information on particle deposition. Gravity affects deposition of particles in the lung in two ways. First, the airflow distribution among airways is changed in different gravity environments. Second, particle losses by sedimentation are enhanced with increasing gravity. In this study, a model of airflow distribution in the lung that accounts for the influence of gravity was used for a mathematical description of particle deposition in the human lung to calculate lobar, regional, and local deposition of particles in different gravity environments. The lung geometry used in the mathematical model contained five lobes that allowed the assessment of lobar ventilation distribution and variation of particle deposition. At zero gravity, it was predicted that all lobes of the lung expanded and contracted uniformly, independent of body position. Increased gravity in the upright position increased the expansion of the upper lobes and decreased expansion of the lower lobes. Despite a slight increase in predicted deposition of ultrafine particles in the upper lobes with decreasing gravity, deposition of ultrafine particles was generally predicted to be unaffected by gravity. Increased gravity increased predicted deposition of fine and coarse particles in the tracheobronchial region, but that led to a reduction or even elimination of deposition in the alveolar region for coarse particles. The results from this study show that existing mathematical models of particle deposition at 1 G can be extended to different gravity environments by simply correcting for a gravity constant. Controlled studies in astronauts on future space missions are needed to validate these predictions.

In Vitro Capture of Small Ferrous Particles with a Magnetic Filtration Device Designed for Intravascular Use with Intraarterial Chemotherapy: Proof-of-Concept Study.

PubMed

Mabray, Marc C; Lillaney, Prasheel; Sze, Chia-Hung; Losey, Aaron D; Yang, Jeffrey; Kondapavulur, Sravani; Liu, Derek; Saeed, Maythem; Patel, Anand; Cooke, Daniel; Jun, Young-Wook; El-Sayed, Ivan; Wilson, Mark; Hetts, Steven W

2016-03-01

To establish that a magnetic device designed for intravascular use can bind small iron particles in physiologic flow models. Uncoated iron oxide particles 50-100 nm and 1-5 µm in size were tested in a water flow chamber over a period of 10 minutes without a magnet (ie, control) and with large and small prototype magnets. These same particles and 1-µm carboxylic acid-coated iron oxide beads were likewise tested in a serum flow chamber model without a magnet (ie, control) and with the small prototype magnet. Particles were successfully captured from solution. Particle concentrations in solution decreased in all experiments (P < .05 vs matched control runs). At 10 minutes, concentrations were 98% (50-100-nm particles in water with a large magnet), 97% (50-100-nm particles in water with a small magnet), 99% (1-5-µm particles in water with a large magnet), 99% (1-5-µm particles in water with a small magnet), 95% (50-100-nm particles in serum with a small magnet), 92% (1-5-µm particles in serum with a small magnet), and 75% (1-µm coated beads in serum with a small magnet) lower compared with matched control runs. This study demonstrates the concept of magnetic capture of small iron oxide particles in physiologic flow models by using a small wire-mounted magnetic filter designed for intravascular use. Copyright © 2016 SIR. Published by Elsevier Inc. All rights reserved.

Size and shape effects on diffusion and absorption of colloidal particles near a partially absorbing sphere: implications for uptake of nanoparticles in animal cells.

PubMed

Shi, Wendong; Wang, Jizeng; Fan, Xiaojun; Gao, Huajian

2008-12-01

A mechanics model describing how a cell membrane with diffusive mobile receptors wraps around a ligand-coated cylindrical or spherical particle has been recently developed to model the role of particle size in receptor-mediated endocytosis. The results show that particles in the size range of tens to hundreds of nanometers can enter cells even in the absence of clathrin or caveolin coats. Here we report further progress on modeling the effects of size and shape in diffusion, interaction, and absorption of finite-sized colloidal particles near a partially absorbing sphere. Our analysis indicates that, from the diffusion and interaction point of view, there exists an optimal hydrodynamic size of particles, typically in the nanometer regime, for the maximum rate of particle absorption. Such optimal size arises as a result of balance between the diffusion constant of the particles and the interaction energy between the particles and the absorbing sphere relative to the thermal energy. Particles with a smaller hydrodynamic radius have larger diffusion constant but weaker interaction with the sphere while larger particles have smaller diffusion constant but stronger interaction with the sphere. Since the hydrodynamic radius is also determined by the particle shape, an optimal hydrodynamic radius implies an optimal size as well as an optimal aspect ratio for a nonspherical particle. These results show broad agreement with experimental observations and may have general implications on interaction between nanoparticles and animal cells.

Size and shape effects on diffusion and absorption of colloidal particles near a partially absorbing sphere: Implications for uptake of nanoparticles in animal cells

NASA Astrophysics Data System (ADS)

Shi, Wendong; Wang, Jizeng; Fan, Xiaojun; Gao, Huajian

2008-12-01

A mechanics model describing how a cell membrane with diffusive mobile receptors wraps around a ligand-coated cylindrical or spherical particle has been recently developed to model the role of particle size in receptor-mediated endocytosis. The results show that particles in the size range of tens to hundreds of nanometers can enter cells even in the absence of clathrin or caveolin coats. Here we report further progress on modeling the effects of size and shape in diffusion, interaction, and absorption of finite-sized colloidal particles near a partially absorbing sphere. Our analysis indicates that, from the diffusion and interaction point of view, there exists an optimal hydrodynamic size of particles, typically in the nanometer regime, for the maximum rate of particle absorption. Such optimal size arises as a result of balance between the diffusion constant of the particles and the interaction energy between the particles and the absorbing sphere relative to the thermal energy. Particles with a smaller hydrodynamic radius have larger diffusion constant but weaker interaction with the sphere while larger particles have smaller diffusion constant but stronger interaction with the sphere. Since the hydrodynamic radius is also determined by the particle shape, an optimal hydrodynamic radius implies an optimal size as well as an optimal aspect ratio for a nonspherical particle. These results show broad agreement with experimental observations and may have general implications on interaction between nanoparticles and animal cells.

Tranpsort phenomena in solidification processing of functionally graded materials

NASA Astrophysics Data System (ADS)

Gao, Juwen

A combined numerical and experimental study of the transport phenomena during solidification processing of metal matrix composite functionally graded materials (FGMs) is conducted in this work. A multiphase transport model for the solidification of metal-matrix composite FGMs has been developed that accounts for macroscopic particle segregation due to liquid-particle flow and particle-solid interactions. An experimental study has also been conducted to gain physical insight as well as to validate the model. A novel method to in-situ measure the particle volume fraction using fiber optic probes is developed for transparent analogue solidification systems. The model is first applied to one-dimensional pure matrix FGM solidification under gravity or centrifugal field and is extensively validated against the experimental results. The mechanisms for the formation of particle concentration gradient are identified. Two-dimensional solidification of pure matrix FGM with convection is then studied using the model as well as experiments. The interaction among convection flow, solidification process and the particle transport is demonstrated. The results show the importance of convection in the particle concentration gradient formation. Then, simulations for alloy FGM solidification are carried out for unidirectional solidification as well as two-dimensional solidification with convection. The interplay among heat and species transport, convection and particle motion is investigated. Finally, future theoretical and experimental work is outlined.

Utilization of Titanium Particle Impact Location to Validate a 3D Multicomponent Model for Cold Spray Additive Manufacturing

NASA Astrophysics Data System (ADS)

Faizan-Ur-Rab, M.; Zahiri, S. H.; King, P. C.; Busch, C.; Masood, S. H.; Jahedi, M.; Nagarajah, R.; Gulizia, S.

2017-12-01

Cold spray is a solid-state rapid deposition technology in which metal powder is accelerated to supersonic speeds within a de Laval nozzle and then impacts onto the surface of a substrate. It is possible for cold spray to build thick structures, thus providing an opportunity for melt-less additive manufacturing. Image analysis of particle impact location and focused ion beam dissection of individual particles were utilized to validate a 3D multicomponent model of cold spray. Impact locations obtained using the 3D model were found to be in close agreement with the empirical data. Moreover, the 3D model revealed the particles' velocity and temperature just before impact—parameters which are paramount for developing a full understanding of the deposition process. Further, it was found that the temperature and velocity variations in large-size particles before impact were far less than for the small-size particles. Therefore, an optimal particle temperature and velocity were identified, which gave the highest deformation after impact. The trajectory of the particles from the injection point to the moment of deposition in relation to propellant gas is visualized. This detailed information is expected to assist with the optimization of the deposition process, contributing to improved mechanical properties for additively manufactured cold spray titanium parts.

Blocking effect and numerical study of polymer particles dispersion flooding in heterogeneous reservoir

NASA Astrophysics Data System (ADS)

Zhu, Weiyao; Li, Jianhui; Lou, Yu

2018-02-01

Polymer flooding has become an effective way to improve the sweep efficiency in many oil fields. Many scholars have carried out a lot of researches on the mechanism of polymer flooding. In this paper, the effect of polymer on seepage is analyzed. The blocking effect of polymer particles was studied experimentally, and the residual resistance coefficient (RRF) were used to represent the blocking effect. We also build a mathematical model for heterogeneous concentration distribution of polymer particles. Furthermore, the effects of polymer particles on reservoir permeability, fluid viscosity and relative permeability are considered, and a two-phase flow model of oil and polymer particles is established. In addition, the model was tested in the heterogeneous stratum model, and three influencing factors, such as particle concentration, injection volume and PPD (short for polymer particle dispersion) injection time, were analyzed. Simulation results show that PPD can effectively improve sweep efficiency and especially improve oil recovery of low permeability layer. Oil recovery increases with the increase of particle concentration, but oil recovery increase rate gradually decreases with that. The greater the injected amount of PPD, the greater oil recovery and the smaller oil recovery increase rate. And there is an optimal timing to inject PPD for specific reservoir.

Progress report on hot particle studies

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

Baum, J.W.; Kaurin, D.G.; Waligorski, M.

1992-02-01

NCRP Report 106 on the effects of hot particles on the skin of pigs, monkeys, and humans was critically reviewed and reassessed. The analysis of the data of Forbes and Mikhail on the effects from activated UC{sub 2} particles, ranging in diameter from 144 {mu}m to 328 {mu}m, led to the formulation of a new model to predict both the threshold for acute ulceration and for ulcer diameter. In this model, a point dose of 27 Gy at a depth of 1.33 mm in tissue will cause an ulcer with a diameter determined by the radius to which this dosemore » extends. Application of the model to the Forbes and Mikhail data obtained with mixed fission product beta particles yielded a threshold'' (5% probability) of 6 {times} 10{sup 9} beta particles from a point source of high energy (2.25 MeV maximum) beta particles on skin. The above model was used to predict that approximately 1.2 {times} 10{sup 10} beta particles from Sr-Y-90 would produce similar effects, since few Sr-90 beta particles reach 1.33 mm depth. These emissions correspond to doses at 70-{mu}m depth in tissue of approximately 5.3 to 5.5 Gy averaged over 1 cm{sup 2}, respectively.« less

Progress report on hot particle studies

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

Baum, J.W.; Kaurin, D.G.; Waligorski, M.

1992-02-01

NCRP Report 106 on the effects of hot particles on the skin of pigs, monkeys, and humans was critically reviewed and reassessed. The analysis of the data of Forbes and Mikhail on the effects from activated UC{sub 2} particles, ranging in diameter from 144 {mu}m to 328 {mu}m, led to the formulation of a new model to predict both the threshold for acute ulceration and for ulcer diameter. In this model, a point dose of 27 Gy at a depth of 1.33 mm in tissue will cause an ulcer with a diameter determined by the radius to which this dosemore » extends. Application of the model to the Forbes and Mikhail data obtained with mixed fission product beta particles yielded a ``threshold`` (5% probability) of 6 {times} 10{sup 9} beta particles from a point source of high energy (2.25 MeV maximum) beta particles on skin. The above model was used to predict that approximately 1.2 {times} 10{sup 10} beta particles from Sr-Y-90 would produce similar effects, since few Sr-90 beta particles reach 1.33 mm depth. These emissions correspond to doses at 70-{mu}m depth in tissue of approximately 5.3 to 5.5 Gy averaged over 1 cm{sup 2}, respectively.« less

Numerical and Experimental Studies of Particle Settling in Real Fracture Geometries

NASA Astrophysics Data System (ADS)

Roy, Pratanu; Du Frane, Wyatt L.; Kanarska, Yuliya; Walsh, Stuart D. C.

2016-11-01

Proppant is a vital component of hydraulic stimulation operations, improving conductivity by maintaining fracture aperture. While correct placement is a necessary part of ensuring that proppant performs efficiently, the transport behavior of proppant in natural rock fractures is poorly understood. In particular, as companies pursue new propping strategies involving new types of proppant, more accurate models of proppant behavior are needed to help guide their deployment. A major difficulty with simulating reservoir-scale proppant behavior is that continuum models traditionally used to represent large-scale slurry behavior loose applicability in fracture geometries. Particle transport models are often based on representative volumes that are at the same scale or larger than fractures found in hydraulic fracturing operations, making them inappropriate for modeling these types of flows. In the absence of a first-principles approach, empirical closure relations are needed. However, even such empirical closure relationships are difficult to derive without an accurate understanding of proppant behavior on the particle level. Thus, there is a need for experiments and simulations capable of probing phenomena at the sub-fracture scale. In this paper, we present results from experimental and numerical studies investigating proppant behavior at the sub-fracture level, in particular, the role of particle dispersion during proppant settling. In the experimental study, three-dimensional printing techniques are used to accurately reproduce the topology of a fractured Marcellus shale sample inside a particle-flow cell. By recreating the surface in clear plastic resin, proppant movement within the fracture can be tracked directly in real time without the need for X-ray imaging. Particle tracking is further enhanced through the use of mixtures of transparent and opaque proppant analogues. The accompanying numerical studies employ a high-fidelity three-dimensional particle-flow model, capable of explicitly representing the particles, the fracture surface and the interstitial fluid flow. Both studies reveal large-scale vortex motion during particle settling. For the most part, this behavior is independent of the fracture topology, instead driven by interactions between the sinking particles and the upwelling interstitial fluid. This motion results in large amounts of particle dispersion, significantly greater than might be expected from traditional slurry models. The competition between the particles and the fluid also results in a redistribution of particles toward the fracture walls, which has significant implications for the transport of proppant along the fracture.

CFD Modelling of Particle Mixtures in a 2D CFB

NASA Astrophysics Data System (ADS)

Seppälä, M.; Kallio, S.

The capability of Fluent 6.2.16 to simulate particle mixtures in a laboratory scale 2D circulating fluidized bed (CFB) unit has been tested. In the simulations, the solids were described as one or two particle phases. The loading ratio of small to large particles, particle diameters and the gas inflow velocity were varied. The 40 cm wide and 3 m high 2D CFB was modeled using a grid with 31080 cells. The outflow of particles at the top of the CFB was monitored and emanated particles were fed back to the riser through a return duct. The paper presents the segregation patterns of the particle phases obtained from the simulations. When the fraction of large particles was 50% or larger, large particles segregated, as expected, to the wall regions and to the bottom part of the riser. However, when the fraction of large particles was 10%, an excess of large particles was found in the upper half of the riser. The explanation for this unexpected phenomenon was found in the distribution of the large particles between the slow clusters and the faster moving lean suspension.

Compaction of granular materials composed of deformable particles

NASA Astrophysics Data System (ADS)

Nguyen, Thanh Hai; Nezamabadi, Saeid; Delenne, Jean-Yves; Radjai, Farhang

2017-06-01

In soft particle materials such as metallic powders the particles can undergo large deformations without rupture. The large elastic or plastic deformations of the particles are expected to strongly affect the mechanical properties of these materials compared to hard particle materials more often considered in research on granular materials. Herein, two numerical approaches are proposed for the simulation of soft granular systems: (i) an implicit formulation of the Material Point Method (MPM) combined with the Contact Dynamics (CD) method to deal with contact interactions, and (i) Bonded Particle Model (BPM), in which each deformable particle is modeled as an aggregate of rigid primary particles using the CD method. These two approaches allow us to simulate the compaction of an assembly of elastic or plastic particles. By analyzing the uniaxial compaction of 2D soft particle packings, we investigate the effects of particle shape change on the stress-strain relationship and volume change behavior as well as the evolution of the microstructure.

The effects of particle loading on turbulence structure and modelling

NASA Technical Reports Server (NTRS)

Squires, Kyle D.; Eaton, J. K.

1989-01-01

The objective of the present research was to extend the Direct Numerical Simulation (DNS) approach to particle-laden turbulent flows using a simple model of particle/flow interaction. The program addressed the simplest type of flow, homogeneous, isotropic turbulence, and examined interactions between the particles and gas phase turbulence. The specific range of problems examined include those in which the particle is much smaller than the smallest length scales of the turbulence yet heavy enough to slip relative to the flow. The particle mass loading is large enough to have a significant impact on the turbulence, while the volume loading was small enough such that particle-particle interactions could be neglected. Therefore, these simulations are relevant to practical problems involving small, dense particles conveyed by turbulent gas flows at moderate loadings. A sample of the results illustrating modifications of the particle concentration field caused by the turbulence structure is presented and attenuation of turbulence by the particle cloud is also illustrated.

Adaptive particle-based pore-level modeling of incompressible fluid flow in porous media: a direct and parallel approach

NASA Astrophysics Data System (ADS)

Ovaysi, S.; Piri, M.

2009-12-01

We present a three-dimensional fully dynamic parallel particle-based model for direct pore-level simulation of incompressible viscous fluid flow in disordered porous media. The model was developed from scratch and is capable of simulating flow directly in three-dimensional high-resolution microtomography images of naturally occurring or man-made porous systems. It reads the images as input where the position of the solid walls are given. The entire medium, i.e., solid and fluid, is then discretized using particles. The model is based on Moving Particle Semi-implicit (MPS) technique. We modify this technique in order to improve its stability. The model handles highly irregular fluid-solid boundaries effectively. It takes into account viscous pressure drop in addition to the gravity forces. It conserves mass and can automatically detect any false connectivity with fluid particles in the neighboring pores and throats. It includes a sophisticated algorithm to automatically split and merge particles to maintain hydraulic connectivity of extremely narrow conduits. Furthermore, it uses novel methods to handle particle inconsistencies and open boundaries. To handle the computational load, we present a fully parallel version of the model that runs on distributed memory computer clusters and exhibits excellent scalability. The model is used to simulate unsteady-state flow problems under different conditions starting from straight noncircular capillary tubes with different cross-sectional shapes, i.e., circular/elliptical, square/rectangular and triangular cross-sections. We compare the predicted dimensionless hydraulic conductances with the data available in the literature and observe an excellent agreement. We then test the scalability of our parallel model with two samples of an artificial sandstone, samples A and B, with different volumes and different distributions (non-uniform and uniform) of solid particles among the processors. An excellent linear scalability is obtained for sample B that has more uniform distribution of solid particles leading to a superior load balancing. The model is then used to simulate fluid flow directly in REV size three-dimensional x-ray images of a naturally occurring sandstone. We analyze the quality and consistency of the predicted flow behavior and calculate absolute permeability, which compares well with the available network modeling and Lattice-Boltzmann permeabilities available in the literature for the same sandstone. We show that the model conserves mass very well and is stable computationally even at very narrow fluid conduits. The transient- and the steady-state fluid flow patterns are presented as well as the steady-state flow rates to compute absolute permeability. Furthermore, we discuss the vital role of our adaptive particle resolution scheme in preserving the original pore connectivity of the samples and their narrow channels through splitting and merging of fluid particles.

Multi-fluid CFD analysis in Process Engineering

NASA Astrophysics Data System (ADS)

Hjertager, B. H.

2017-12-01

An overview of modelling and simulation of flow processes in gas/particle and gas/liquid systems are presented. Particular emphasis is given to computational fluid dynamics (CFD) models that use the multi-dimensional multi-fluid techniques. Turbulence modelling strategies for gas/particle flows based on the kinetic theory for granular flows are given. Sub models for the interfacial transfer processes and chemical kinetics modelling are presented. Examples are shown for some gas/particle systems including flow and chemical reaction in risers as well as gas/liquid systems including bubble columns and stirred tanks.

Comment on atomic independent-particle models

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

Doda, D.D.; Gravey, R.H.; Green, A.E.S.

1975-08-01

The Hartree-Fock-Slater (HFS) independent-particle model in the form developed by Hermann and Skillman (HS) and the Green, Sellin, and Zachor (GSZ) analytic independent-particle model are being used for many types of applications of atomic theory to avoid cumbersome, albeit more rigorous, many-body calculations. The single-electron eigenvalues obtained with these models are examined and it is found that the GSZ model is capable of yielding energy eigenvalues for valence electrons which are substantially closer to experimental values than are the results of HS-HFS calculations. With the aid of an analytic representation of the equivalent HS-HFS screening function, the difficulty with thismore » model is identified as a weakness of the potential in the neighborhood of the valence shell. Accurate representations of valence states are important in most atomic applications of the independent-particle model. (auth)« less

The structure of evaporating and combusting sprays: Measurements and predictions

NASA Technical Reports Server (NTRS)

Shuen, J. S.; Solomon, A. S. P.; Faeth, F. M.

1983-01-01

The structure of particle-laden jets and nonevaporating and evaporating sprays was measured in order to evaluate models of these processes. Three models are being evaluated: (1) a locally homogeneous flow model, where slip between the phases is neglected and the flow is assumed to be in local thermodynamic equilibrium; (2) a deterministic separated flow model, where slip and finite interphase transport rates are considered but effects of particle/drop dispersion by turbulence and effects of turbulence on interphase transport rates are ignored; and (3) a stochastic separated flow model, where effects of interphase slip, turbulent dispersion and turbulent fluctuations are considered using random sampling for turbulence properties in conjunction with random-walk computations for particle motion. All three models use a k-e-g turbulence model. All testing and data reduction are completed for the particle laden jets. Mean and fluctuating velocities of the continuous phase and mean mixture fraction were measured in the evaporating sprays.

Dynamic Modeling of Yield and Particle Size Distribution in Continuous Bayer Precipitation

NASA Astrophysics Data System (ADS)

Stephenson, Jerry L.; Kapraun, Chris

Process engineers at Alcoa's Point Comfort refinery are using a dynamic model of the Bayer precipitation area to evaluate options in operating strategies. The dynamic model, a joint development effort between Point Comfort and the Alcoa Technical Center, predicts process yields, particle size distributions and occluded soda levels for various flowsheet configurations of the precipitation and classification circuit. In addition to rigorous heat, material and particle population balances, the model includes mechanistic kinetic expressions for particle growth and agglomeration and semi-empirical kinetics for nucleation and attrition. The kinetic parameters have been tuned to Point Comfort's operating data, with excellent matches between the model results and plant data. The model is written for the ACSL dynamic simulation program with specifically developed input/output graphical user interfaces to provide a user-friendly tool. Features such as a seed charge controller enhance the model's usefulness for evaluating operating conditions and process control approaches.

Modeling of Water Injection into a Vacuum

NASA Technical Reports Server (NTRS)

Alred, John W.; Smith, Nicole L.; Wang, K. C.; Lumpkin, Forrest E.; Fitzgerald, Steven M.

1997-01-01

A loosely coupled two-phase vacuum water plume model has been developed. This model consists of a source flow model to describe the expansion of water vapor, and the Lagrangian equations of motion for particle trajectories. Gas/Particle interaction is modeled through the drag force induced by the relative velocities. Particles are assumed traveling along streamlines. The equations of motion are integrated to obtain particle velocity along the streamline. This model has been used to predict the mass flux in a 5 meter radius hemispherical domain resulting from the burst of a water jet of 1.5 mm in diameter, mass flow rate of 24.2 g/s, and stagnation pressure of 21.0 psia, which is the nominal Orbiter water dump condition. The result is compared with an empirical water plume model deduced from a video image of the STS-29 water dump. To further improve the model, work has begun to numerically simulate the bubble formation and bursting present in a liquid stream injected into a vacuum. The technique of smoothed particle hydrodynamics was used to formulate this simulation. A status and results of the on-going effort are presented and compared to results from the literature.

Analytical modeling of relative luminescence efficiency of Al2O3:C optically stimulated luminescence detectors exposed to high-energy heavy charged particles.

PubMed

Sawakuchi, Gabriel O; Yukihara, Eduardo G

2012-01-21

The objective of this work is to test analytical models to calculate the luminescence efficiency of Al(2)O(3):C optically stimulated luminescence detectors (OSLDs) exposed to heavy charged particles with energies relevant to space dosimetry and particle therapy. We used the track structure model to obtain an analytical expression for the relative luminescence efficiency based on the average radial dose distribution produced by the heavy charged particle. We compared the relative luminescence efficiency calculated using seven different radial dose distribution models, including a modified model introduced in this work, with experimental data. The results obtained using the modified radial dose distribution function agreed within 20% with experimental data from Al(2)O(3):C OSLDs relative luminescence efficiency for particles with atomic number ranging from 1 to 54 and linear energy transfer in water from 0.2 up to 1368 keV µm(-1). In spite of the significant improvement over other radial dose distribution models, understanding of the underlying physical processes associated with these radial dose distribution models remain elusive and may represent a limitation of the track structure model.

Restricted Euler dynamics along trajectories of small inertial particles in turbulence

NASA Astrophysics Data System (ADS)

Johnson, Perry; Meneveau, Charles

2016-11-01

The fate of small particles in turbulent flows depends strongly on the surrounding fluid's velocity gradient properties such as rotation and strain-rates. For non-inertial (fluid) particles, the Restricted Euler model provides a simple, low-dimensional dynamical system representation of Lagrangian evolution of velocity gradients in fluid turbulence, at least for short times. Here we derive a new restricted Euler dynamical system for the velocity gradient evolution of inertial particles such as solid particles in a gas or droplets and bubbles in turbulent liquid flows. The model is derived in the limit of small (sub Kolmogorov scale) particles and low Stokes number. The system exhibits interesting fixed points, stability and invariant properties. Comparisons with data from Direct Numerical Simulations show that the model predicts realistic trends such as the tendency of increased straining over rotation along heavy particle trajectories and, for light particles such as bubbles, the tendency of severely reduced self-stretching of strain-rate. Supported by a National Science Foundation Graduate Research Fellowship Program under Grant No. DGE-1232825 and by a Grant from The Gulf of Mexico Research Initiative.

Amine-Amine Exchange in Aminium-Methanesulfonate Aerosols

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

Dawson, Matthew L.; Varner, Mychel E.; Perraud, Veronique M.

2014-12-18

Aerosol particles are ubiquitous in the atmosphere and have been shown to impact the Earth’s climate, reduce visibility, and adversely affect human health. Modeling the evolution of aerosol systems requires an understanding of the species and mechanisms involved in particle growth, including the complex interactions between particle- and gas-phase species. Here we report studies of displacement of amines (methylamine, dimethylamine or trimethylamine) in methanesulfonate salt particles by exposure to a different gas-phase amine, using a single particle mass spectrometer, SPLAT II. The variation of the displacement with the nature of the amine suggests that behavior is dependent on water inmore » or on the particles. Small clusters of methanesulfonic acid with amines are used as a model in quantum chemical calculations to identify key structural elements that are expected to influence water uptake, and hence the efficiency of displacement by gas-phase molecules in the aminium salts. Such molecular-level understanding of the processes affecting the ability of gas-phase amines to displace particle-phase aminium species is important for modeling the growth of particles and their impacts in the atmosphere.« less

Fundus autofluorescence and fate of glycoxidized particles injected into subretinal space in rabbit age-related macular degeneration model.

PubMed

Hirata, Megumi; Yasukawa, Tsutomu; Wiedemann, Peter; Kimura, Erika; Kunou, Noriyuki; Eichler, Wolfram; Takase, Ayae; Sato, Rina; Ogura, Yuichiro

2009-07-01

Abnormal fundus autofluorescence (FAF) is associated with the incidence or progression of dry and wet age-related macular degeneration (AMD). We previously developed a rabbit AMD model with drusen and type-1 choroidal neovascularization (CNV) that mimics the accumulation of lipofuscin using artificial glycoxidized particles. The objective of the current study was to investigate in vitro effects of glycoxidized particles on retinal pigment epithelial (RPE) cells, and the FAF and fate of injected particles in this model. Glycoxidized particles were prepared by a 4-day incubation of water-in-oil emulsions of serum albumin and glycolaldehyde to allow glycoxidation and consequent cross-linking. After particles were added in the culture medium of confluent human RPE cells, cell viability, adhesion activity, and proliferation activity were assessed by cell counting. In anesthetized rabbits, 250 microg of glycoxidized particles were injected into the subretinal space to induce experimental AMD. FAF measurement and angiography with sodium fluorescein and indocyanine green were performed periodically using the Heidelberg Retina Angiograph 2 (HRA2). The eyes enucleated, and the lung and the spleen, excised at week 4 or 12, were histologically evaluated by light and fluorescence microscopy. Glycoxidized particles phagocytosed did not impair the cell viability, adhesion, and proliferation of RPE cells, as compared with RPE cells in controls. HRA2 showed different patterns of abnormal FAF in the area with the implanted glycoxidized particles, similar to pathological FAF patterns in aging human eyes with or without AMD. Histologic examination showed accumulated glycoxidized particles and large lipofuscin granules with green autofluorescence in and under the RPE and at the margins of or beneath drusen, possibly associated with abnormal FAF. In addition, some particles were detected in the lung and the spleen. Glycoxidized particles phagocytosed might stay in RPE cells without any acute biological reaction. Our rabbit model of AMD simulated abnormal FAF patterns observed in aging human eyes with or without AMD. Glycoxidized particles phagocytosed by RPE cells could be deposited on Bruch's membrane in rabbits, possibly excreted in part into choroidal circulation. This model may be useful for understanding various patterns of abnormal FAF histologically, and for elucidating the pathogenesis of AMD.

Particle Physics Primer: Explaining the Standard Model of Matter.

ERIC Educational Resources Information Center

Vondracek, Mark

2002-01-01

Describes the Standard Model, a basic model of the universe that describes electromagnetic force, weak nuclear force radioactivity, and the strong nuclear force responsible for holding particles within the nucleus together. (YDS)

Gravitational instantons as models for charged particle systems

NASA Astrophysics Data System (ADS)

Franchetti, Guido; Manton, Nicholas S.

2013-03-01

In this paper we propose ALF gravitational instantons of types A k and D k as models for charged particle systems. We calculate the charges of the two families. These are -( k + 1) for A k , which is proposed as a model for k + 1 electrons, and 2 - k for D k , which is proposed as a model for either a particle of charge +2 and k electrons or a proton and k - 1 electrons. Making use of preferred topological and metrical structures of the manifolds, namely metrically preferred representatives of middle dimension homology classes, we construct two different energy functionals which reproduce the Coulomb interaction energy for a system of charged particles.

Colloidal particle electrorotation in a nonuniform electric field

NASA Astrophysics Data System (ADS)

Hu, Yi; Vlahovska, Petia M.; Miksis, Michael J.

2018-01-01

A model to study the dynamics of colloidal particles in nonuniform electric fields is proposed. For an isolated sphere, the conditions and threshold for sustained (Quincke) rotation in a linear direct current (dc) field are determined. Particle dynamics becomes more complex with increasing electric field strength, changing from steady spinning around the particle center to time-dependent orbiting motion around the minimum field location. Pairs of particles exhibit intricate trajectories, which are a combination of translation, due to dielectrophoresis, and rotation, due to the Quincke effect. Our model provides a basis to study the collective dynamics of many particles in a general electric field.

Colloidal particle electrorotation in a nonuniform electric field.

PubMed

Hu, Yi; Vlahovska, Petia M; Miksis, Michael J

2018-01-01

A model to study the dynamics of colloidal particles in nonuniform electric fields is proposed. For an isolated sphere, the conditions and threshold for sustained (Quincke) rotation in a linear direct current (dc) field are determined. Particle dynamics becomes more complex with increasing electric field strength, changing from steady spinning around the particle center to time-dependent orbiting motion around the minimum field location. Pairs of particles exhibit intricate trajectories, which are a combination of translation, due to dielectrophoresis, and rotation, due to the Quincke effect. Our model provides a basis to study the collective dynamics of many particles in a general electric field.

A size-composition resolved aerosol model for simulating the dynamics of externally mixed particles: SCRAM (v 1.0)

NASA Astrophysics Data System (ADS)

Zhu, S.; Sartelet, K. N.; Seigneur, C.

2015-06-01

The Size-Composition Resolved Aerosol Model (SCRAM) for simulating the dynamics of externally mixed atmospheric particles is presented. This new model classifies aerosols by both composition and size, based on a comprehensive combination of all chemical species and their mass-fraction sections. All three main processes involved in aerosol dynamics (coagulation, condensation/evaporation and nucleation) are included. The model is first validated by comparison with a reference solution and with results of simulations using internally mixed particles. The degree of mixing of particles is investigated in a box model simulation using data representative of air pollution in Greater Paris. The relative influence on the mixing state of the different aerosol processes (condensation/evaporation, coagulation) and of the algorithm used to model condensation/evaporation (bulk equilibrium, dynamic) is studied.

An arbitrary boundary with ghost particles incorporated in coupled FEM-SPH model for FSI problems

NASA Astrophysics Data System (ADS)

Long, Ting; Hu, Dean; Wan, Detao; Zhuang, Chen; Yang, Gang

2017-12-01

It is important to treat the arbitrary boundary of Fluid-Structure Interaction (FSI) problems in computational mechanics. In order to ensure complete support condition and restore the first-order consistency near the boundary of Smoothed Particle Hydrodynamics (SPH) method for coupling Finite Element Method (FEM) with SPH model, a new ghost particle method is proposed by dividing the interceptive area of kernel support domain into subareas corresponding to boundary segments of structure. The ghost particles are produced automatically for every fluid particle at each time step, and the properties of ghost particles, such as density, mass and velocity, are defined by using the subareas to satisfy the boundary condition. In the coupled FEM-SPH model, the normal and shear forces from a boundary segment of structure to a fluid particle are calculated through the corresponding ghost particles, and its opposite forces are exerted on the corresponding boundary segment, then the momentum of the present method is conservation and there is no matching requirements between the size of elements and the size of particles. The performance of the present method is discussed and validated by several FSI problems with complex geometry boundary and moving boundary.

Estimating degradation-related settlement in two landfill-reclaimed soils by sand-salt analogues.

PubMed

McDougall, J R; Fleming, I R; Thiel, R; Dewaele, P; Parker, D; Kelly, D

2018-04-25

Landfill reclaimed soil here refers to largely degraded materials excavated from old landfill sites, which after processing can be reinstated as more competent fill, thereby restoring the former landfill space. The success of the process depends on the presence of remaining degradable particles and their influence on settlement. Tests on salt-sand mixtures, from which the salt is removed, have been used to quantify the impact of particle loss on settlement. Where the amount of particle loss is small, say 10% by mass or less, settlements are small and apparently independent of lost particle size. A conceptual model is presented to explain this behaviour in terms of nestling particles and strong force chains. At higher percentages of lost particles, greater rates of settlement together with some sensitivity to particle size were observed. The conceptual model was then applied to two landfill reclaimed soils, the long-term settlements of which were found to be consistent with the conceptual model suggesting that knowledge of particle content and relative size are sufficient to estimate the influence of degradable particles in landfill reclaimed soils. Copyright © 2018 Elsevier Ltd. All rights reserved.

Examining Model Atmospheric Particles Inside and Out

NASA Astrophysics Data System (ADS)

Wingen, L. M.; Zhao, Y.; Fairhurst, M. C.; Perraud, V. M.; Ezell, M. J.; Finlayson-Pitts, B. J.

2017-12-01

Atmospheric particles scatter incoming solar radiation and act as cloud condensation nuclei (CCN), thereby directly and indirectly affecting the earth's radiative balance and reducing visibility. These atmospheric particles may not be uniform in composition. Differences in the composition of a particle's outer surface from its core can arise during particle growth, (photo)chemical aging, and exchange of species with the gas phase. The nature of the surface on a molecular level is expected to impact growth mechanisms as well as their ability to act as CCN. Model laboratory particle systems are explored using direct analysis in real time-mass spectrometry (DART-MS), which is sensitive to surface composition, and contrasted with average composition measurements using high resolution, time-of-flight aerosol mass spectrometry (HR-ToF-AMS). Results include studies of the heterogeneous reactions of amines with solid dicarboxylic acid particles, which are shown to generate aminium dicarboxylate salts at the particle surface, leaving an unreacted core. Combination of both mass spectrometric techniques reveals a trend in reactivity of C3-C7 dicarboxylic acids with amines and allows calculation of the DART probe depth into the particles. The results of studies on additional model systems that are currently being explored will also be reported.

Simulation of atmospheric dispersion of radionuclides using an Eulerian-Lagrangian modelling system.

PubMed

Basit, Abdul; Espinosa, Francisco; Avila, Ruben; Raza, S; Irfan, N

2008-12-01

In this paper we present an atmospheric dispersion scenario for a proposed nuclear power plant in Pakistan involving the hypothetical accidental release of radionuclides. For this, a concept involving a Lagrangian stochastic particle model (LSPM) coupled with an Eulerian regional atmospheric modelling system (RAMS) is used. The atmospheric turbulent dispersion of radionuclides (represented by non-buoyant particles/neutral traces) in the LSPM is modelled by applying non-homogeneous turbulence conditions. The mean wind velocities governed by the topography of the region and the surface fluxes of momentum and heat are calculated by the RAMS code. A moving least squares (MLS) technique is introduced to calculate the concentration of radionuclides at ground level. The numerically calculated vertical profiles of wind velocity and temperature are compared with observed data. The results obtained demonstrate that in regions of complex terrain it is not sufficient to model the atmospheric dispersion of particles using a straight-line Gaussian plume model, and that by utilising a Lagrangian stochastic particle model and regional atmospheric modelling system a much more realistic estimation of the dispersion in such a hypothetical scenario was ascertained. The particle dispersion results for a 12 h ground release show that a triangular area of about 400 km(2) situated in the north-west quadrant of release is under radiological threat. The particle distribution shows that the use of a Gaussian plume model (GPM) in such situations will yield quite misleading results.

Trapped particle flux models at NSSDC/WDC-A-R/S

NASA Technical Reports Server (NTRS)

Bilitza, D.; Sawyer, D. M.; King, J. H.

1989-01-01

The data needed in the future for trapped particle modeling are summarized. A short summary of past and future modeling activities and a list of satellite data that have not yet been considered in the modeling efforts is included.

Effect of Particle Shape on Mechanical Behaviors of Rocks: A Numerical Study Using Clumped Particle Model

PubMed Central

Rong, Guan; Liu, Guang; Zhou, Chuang-bing

2013-01-01

Since rocks are aggregates of mineral particles, the effect of mineral microstructure on macroscopic mechanical behaviors of rocks is inneglectable. Rock samples of four different particle shapes are established in this study based on clumped particle model, and a sphericity index is used to quantify particle shape. Model parameters for simulation in PFC are obtained by triaxial compression test of quartz sandstone, and simulation of triaxial compression test is then conducted on four rock samples with different particle shapes. It is seen from the results that stress thresholds of rock samples such as crack initiation stress, crack damage stress, and peak stress decrease with the increasing of the sphericity index. The increase of sphericity leads to a drop of elastic modulus and a rise in Poisson ratio, while the decreasing sphericity usually results in the increase of cohesion and internal friction angle. Based on volume change of rock samples during simulation of triaxial compression test, variation of dilation angle with plastic strain is also studied. PMID:23997677

Effect of particle shape on mechanical behaviors of rocks: a numerical study using clumped particle model.

PubMed

Rong, Guan; Liu, Guang; Hou, Di; Zhou, Chuang-Bing

2013-01-01

Since rocks are aggregates of mineral particles, the effect of mineral microstructure on macroscopic mechanical behaviors of rocks is inneglectable. Rock samples of four different particle shapes are established in this study based on clumped particle model, and a sphericity index is used to quantify particle shape. Model parameters for simulation in PFC are obtained by triaxial compression test of quartz sandstone, and simulation of triaxial compression test is then conducted on four rock samples with different particle shapes. It is seen from the results that stress thresholds of rock samples such as crack initiation stress, crack damage stress, and peak stress decrease with the increasing of the sphericity index. The increase of sphericity leads to a drop of elastic modulus and a rise in Poisson ratio, while the decreasing sphericity usually results in the increase of cohesion and internal friction angle. Based on volume change of rock samples during simulation of triaxial compression test, variation of dilation angle with plastic strain is also studied.

The 4-parameter Compressible Packing Model (CPM) including a critical cavity size ratio

NASA Astrophysics Data System (ADS)

Roquier, Gerard

2017-06-01

The 4-parameter Compressible Packing Model (CPM) has been developed to predict the packing density of mixtures constituted by bidisperse spherical particles. The four parameters are: the wall effect and the loosening effect coefficients, the compaction index and a critical cavity size ratio. The two geometrical interactions have been studied theoretically on the basis of a spherical cell centered on a secondary class bead. For the loosening effect, a critical cavity size ratio, below which a fine particle can be inserted into a small cavity created by touching coarser particles, is introduced. This is the only parameter which requires adaptation to extend the model to other types of particles. The 4-parameter CPM demonstrates its efficiency on frictionless glass beads (300 values), spherical particles numerically simulated (20 values), round natural particles (125 values) and crushed particles (335 values) with correlation coefficients equal to respectively 99.0%, 98.7%, 97.8%, 96.4% and mean deviations equal to respectively 0.007, 0.006, 0.007, 0.010.

Rheological properties of magnetorheological polishing fluid featuring plate-like iron particles

NASA Astrophysics Data System (ADS)

Shah, Kruti; Choi, Seung-Bok

2014-10-01

In this work, magnetorheological polishing fluid (MRP) rheological properties are experimentally investigated for bi-disperse suspension of plate-like iron particles and non-magnetic abrasive particles dispersed in carrier fluid to see the influence of small-sized non-magnetic particle on the large-size Mr fluid. As a first step, structural and morphology of iron plate-like particles are described in details. The rheological properties are then characterized using magnetorheometer. Particle size and volume fraction of both particles play an important role during the breaking and reforming the structure under application of magnetic field which influence on the rheological properties of MRP fluid. Three different constitutive models, such as the Bingham, Herschel-Bulkley and Casson equations are considered to evaluate their predictive capability of apparent viscosity of proposed MRP fluid. The yield stress increases with increasing magnetic field strength. The results obtained from three models show that the flow index exhibits shear thinning behavior of fluid. A comparative work between the model results and experimental results is also undertaken.

Computational modeling of radiobiological effects in bone metastases for different radionuclides.

PubMed

Liberal, Francisco D C Guerra; Tavares, Adriana Alexandre S; Tavares, João Manuel R S

2017-06-01

Computational simulation is a simple and practical way to study and to compare a variety of radioisotopes for different medical applications, including the palliative treatment of bone metastases. This study aimed to evaluate and compare cellular effects modelled for different radioisotopes currently in use or under research for treatment of bone metastases using computational methods. Computational models were used to estimate the radiation-induced cellular effects (Virtual Cell Radiobiology algorithm) post-irradiation with selected particles emitted by Strontium-89 ( 89 Sr), Samarium-153 ( 153 Sm), Lutetium-177 ( 177 Lu), and Radium-223 ( 223 Ra). Cellular kinetics post-irradiation using 89 Sr β - particles, 153 Sm β -  particles, 177 Lu β -  particles and 223 Ra α particles showed that the cell response was dose- and radionuclide-dependent. 177 Lu beta minus particles and, in particular, 223 Ra alpha particles, yielded the lowest survival fraction of all investigated particles. 223 Ra alpha particles induced the highest cell death of all investigated particles on metastatic prostate cells in comparison to irradiation with β -  radionuclides, two of the most frequently used radionuclides in the palliative treatment of bone metastases in clinical routine practice. Moreover, the data obtained suggest that the used computational methods might provide some perception about cellular effects following irradiation with different radionuclides.

Stochastic analysis of particle movement over a dune bed

USGS Publications Warehouse

Lee, Baum K.; Jobson, Harvey E.

1977-01-01

Stochastic models are available that can be used to predict the transport and dispersion of bed-material sediment particles in an alluvial channel. These models are based on the proposition that the movement of a single bed-material sediment particle consists of a series of steps of random length separated by rest periods of random duration and, therefore, application of the models requires a knowledge of the probability distributions of the step lengths, the rest periods, the elevation of particle deposition, and the elevation of particle erosion. The procedure was tested by determining distributions from bed profiles formed in a large laboratory flume with a coarse sand as the bed material. The elevation of particle deposition and the elevation of particle erosion can be considered to be identically distributed, and their distribution can be described by either a ' truncated Gaussian ' or a ' triangular ' density function. The conditional probability distribution of the rest period given the elevation of particle deposition closely followed the two-parameter gamma distribution. The conditional probability distribution of the step length given the elevation of particle erosion and the elevation of particle deposition also closely followed the two-parameter gamma density function. For a given flow, the scale and shape parameters describing the gamma probability distributions can be expressed as functions of bed-elevation. (Woodard-USGS)

Modeling of magnetic hystereses in soft MREs filled with NdFeB particles

NASA Astrophysics Data System (ADS)

Kalina, K. A.; Brummund, J.; Metsch, P.; Kästner, M.; Borin, D. Yu; Linke, J. M.; Odenbach, S.

2017-10-01

Herein, we investigate the structure-property relationships of soft magnetorheological elastomers (MREs) filled with remanently magnetizable particles. The study is motivated from experimental results which indicate a large difference between the magnetization loops of soft MREs filled with NdFeB particles and the loops of such particles embedded in a comparatively stiff matrix, e.g. an epoxy resin. We present a microscale model for MREs based on a general continuum formulation of the magnetomechanical boundary value problem which is valid for finite strains. In particular, we develop an energetically consistent constitutive model for the hysteretic magnetization behavior of the magnetically hard particles. The microstructure is discretized and the problem is solved numerically in terms of a coupled nonlinear finite element approach. Since the local magnetic and mechanical fields are resolved explicitly inside the heterogeneous microstructure of the MRE, our model also accounts for interactions of particles close to each other. In order to connect the microscopic fields to effective macroscopic quantities of the MRE, a suitable computational homogenization scheme is used. Based on this modeling approach, it is demonstrated that the observable macroscopic behavior of the considered MREs results from the rotation of the embedded particles. Furthermore, the performed numerical simulations indicate that the reversion of the sample’s magnetization occurs due to a combination of particle rotations and internal domain conversion processes. All of our simulation results obtained for such materials are in a good qualitative agreement with the experiments.

Effects of field interactions upon particle creation in Robertson-Walker universes

NASA Technical Reports Server (NTRS)

Birrell, N. D.; Davies, P. C. W.; Ford, L. H.

1980-01-01

Particle creation due to field interactions in an expanding Robertson-Walker universe is investigated. A model in which pseudoscalar mesons and photons are created as a result of their mutual interaction is considered, and the energy density of created particles is calculated in model universes which undergo a bounce at some maximum curvature. The free-field creation of non-conformally coupled scalar particles and of gravitons is calculated in the same space-times. It is found that if the bounce occurs at a sufficiently early time the interacting particle creation will dominate. This result may be traced to the fact that the model interaction chosen introduces a length scale which is much larger than the Planck length.

Radioactive Pollution Estimate for Fukushima Nuclear Power Plant by a Particle Model

NASA Astrophysics Data System (ADS)

Saito, Keisuke; Ogawa, Susumu

2016-06-01

On Mar 12, 2011, very wide radioactive pollution occurred by a hydrogen explosion in Fukushima Nuclear Power Plant. A large amount of radioisotopes started with four times of explosions. With traditional atmospheric diffusion models could not reconstruct radioactive pollution in Fukushima. Then, with a particle model, this accident was reconstructed from meteorological archive and Radar- AMeDAS. Calculations with the particle model were carried out for Mar 12, 15, 18 and 20 when east southeast winds blew for five hours continuously. Meteorological archive is expressed by wind speeds and directions in five-km grid every hour with eight classes of height till 3000 m. Radar- AMeDAS is precipitation data in one-km grid every thirty minutes. Particles are ten scales of 0.01 to 0.1 mm in diameter with specific weight of 2.65 and vertical speeds given by Stokes equation. But, on Mar 15, it rained from 16:30 and then the particles fell down at a moment as wet deposit in calculation. On the other hand, the altitudes on the ground were given by DEM with 1 km-grid. The spatial dose by emitted radioisotopes was referred to the observation data at monitoring posts of Tokyo Electric Power Company. The falling points of radioisotopes were expressed on the map using the particle model. As a result, the same distributions were obtained as the surface spatial dose of radioisotopes in aero-monitoring by Ministry of Education, Culture, Sports, Science and Technology. Especially, on Mar 15, the simulated pollution fitted to the observation, which extended to the northwest of Fukushima Daiichi Nuclear Power Plant and caused mainly sever pollution. By the particle model, the falling positions on the ground were estimated each particle size. Particles with more than 0.05 mm of size were affected by the topography and blocked by the mountains with the altitudes of more than 700 m. The particle model does not include the atmospheric stability, the source height, and deposit speeds. The present assignment is how to express the difference of deposition each nucleus.

Life cycle impact assessment modeling for particulate matter: A new approach based on physico-chemical particle properties.

PubMed

Notter, Dominic A

2015-09-01

Particulate matter (PM) causes severe damage to human health globally. Airborne PM is a mixture of solid and liquid droplets suspended in air. It consists of organic and inorganic components, and the particles of concern range in size from a few nanometers to approximately 10μm. The complexity of PM is considered to be the reason for the poor understanding of PM and may also be the reason why PM in environmental impact assessment is poorly defined. Currently, life cycle impact assessment is unable to differentiate highly toxic soot particles from relatively harmless sea salt. The aim of this article is to present a new impact assessment for PM where the impact of PM is modeled based on particle physico-chemical properties. With the new method, 2781 characterization factors that account for particle mass, particle number concentration, particle size, chemical composition and solubility were calculated. Because particle sizes vary over four orders of magnitudes, a sound assessment of PM requires that the exposure model includes deposition of particles in the lungs and that the fate model includes coagulation as a removal mechanism for ultrafine particles. The effects model combines effects from particle size, solubility and chemical composition. The first results from case studies suggest that PM that stems from emissions generally assumed to be highly toxic (e.g. biomass combustion and fossil fuel combustion) might lead to results that are similar compared with an assessment of PM using established methods. However, if harmless PM emissions are emitted, established methods enormously overestimate the damage. The new impact assessment allows a high resolution of the damage allocatable to different size fractions or chemical components. This feature supports a more efficient optimization of processes and products when combating air pollution. Copyright © 2015 Elsevier Ltd. All rights reserved.

Characterization of the Particle Size and Polydispersity of Dicumarol Using Solid-State NMR Spectroscopy.

PubMed

Dempah, Kassibla Elodie; Lubach, Joseph W; Munson, Eric J

2017-03-06

A variety of particle sizes of a model compound, dicumarol, were prepared and characterized in order to investigate the correlation between particle size and solid-state NMR (SSNMR) proton spin-lattice relaxation ( 1 H T 1 ) times. Conventional laser diffraction and scanning electron microscopy were used as particle size measurement techniques and showed crystalline dicumarol samples with sizes ranging from tens of micrometers to a few micrometers. Dicumarol samples were prepared using both bottom-up and top-down particle size control approaches, via antisolvent microprecipitation and cryogrinding. It was observed that smaller particles of dicumarol generally had shorter 1 H T 1 times than larger ones. Additionally, cryomilled particles had the shortest 1 H T 1 times encountered (8 s). SSNMR 1 H T 1 times of all the samples were measured and showed as-received dicumarol to have a T 1 of 1500 s, whereas the 1 H T 1 times of the precipitated samples ranged from 20 to 80 s, with no apparent change in the physical form of dicumarol. Physical mixtures of different sized particles were also analyzed to determine the effect of sample inhomogeneity on 1 H T 1 values. Mixtures of cryoground and as-received dicumarol were clearly inhomogeneous as they did not fit well to a one-component relaxation model, but could be fit much better to a two-component model with both fast-and slow-relaxing regimes. Results indicate that samples of crystalline dicumarol containing two significantly different particle size populations could be deconvoluted solely based on their differences in 1 H T 1 times. Relative populations of each particle size regime could also be approximated using two-component fitting models. Using NMR theory on spin diffusion as a reference, and taking into account the presence of crystal defects, a model for the correlation between the particle size of dicumarol and its 1 H T 1 time was proposed.

Particle size distribution: A key factor in estimating powder dustiness.

PubMed

López Lilao, Ana; Sanfélix Forner, Vicenta; Mallol Gasch, Gustavo; Monfort Gimeno, Eliseo

2017-12-01

A wide variety of raw materials, involving more than 20 samples of quartzes, feldspars, nephelines, carbonates, dolomites, sands, zircons, and alumina, were selected and characterised. Dustiness, i.e., a materials' tendency to generate dust on handling, was determined using the continuous drop method. These raw materials were selected to encompass a wide range of particle sizes (1.6-294 µm) and true densities (2650-4680 kg/m 3 ). The dustiness of the raw materials, i.e., their tendency to generate dust on handling, was determined using the continuous drop method. The influence of some key material parameters (particle size distribution, flowability, and specific surface area) on dustiness was assessed. In this regard, dustiness was found to be significantly affected by particle size distribution. Data analysis enabled development of a model for predicting the dustiness of the studied materials, assuming that dustiness depended on the particle fraction susceptible to emission and on the bulk material's susceptibility to release these particles. On the one hand, the developed model allows the dustiness mechanisms to be better understood. In this regard, it may be noted that relative emission increased with mean particle size. However, this did not necessarily imply that dustiness did, because dustiness also depended on the fraction of particles susceptible to be emitted. On the other hand, the developed model enables dustiness to be estimated using just the particle size distribution data. The quality of the fits was quite good and the fact that only particle size distribution data are needed facilitates industrial application, since these data are usually known by raw materials managers, thus making additional tests unnecessary. This model may therefore be deemed a key tool in drawing up efficient preventive and/or corrective measures to reduce dust emissions during bulk powder processing, both inside and outside industrial facilities. It is recommended, however, to use the developed model only if particle size, true density, moisture content, and shape lie within the studied ranges.

The pdf approach to turbulent polydispersed two-phase flows

NASA Astrophysics Data System (ADS)

Minier, Jean-Pierre; Peirano, Eric

2001-10-01

The purpose of this paper is to develop a probabilistic approach to turbulent polydispersed two-phase flows. The two-phase flows considered are composed of a continuous phase, which is a turbulent fluid, and a dispersed phase, which represents an ensemble of discrete particles (solid particles, droplets or bubbles). Gathering the difficulties of turbulent flows and of particle motion, the challenge is to work out a general modelling approach that meets three requirements: to treat accurately the physically relevant phenomena, to provide enough information to address issues of complex physics (combustion, polydispersed particle flows, …) and to remain tractable for general non-homogeneous flows. The present probabilistic approach models the statistical dynamics of the system and consists in simulating the joint probability density function (pdf) of a number of fluid and discrete particle properties. A new point is that both the fluid and the particles are included in the pdf description. The derivation of the joint pdf model for the fluid and for the discrete particles is worked out in several steps. The mathematical properties of stochastic processes are first recalled. The various hierarchies of pdf descriptions are detailed and the physical principles that are used in the construction of the models are explained. The Lagrangian one-particle probabilistic description is developed first for the fluid alone, then for the discrete particles and finally for the joint fluid and particle turbulent systems. In the case of the probabilistic description for the fluid alone or for the discrete particles alone, numerical computations are presented and discussed to illustrate how the method works in practice and the kind of information that can be extracted from it. Comments on the current modelling state and propositions for future investigations which try to link the present work with other ideas in physics are made at the end of the paper.

Elementary particles in the early Universe

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

Gromov, N.A., E-mail: gromov@dm.komisc.ru

The high-temperature limit of the Standard Model generated by the contractions of gauge groups is discussed. Contraction parameters of gauge group SU(2) of the Electroweak Model and gauge group SU(3) of Quantum Chromodynamics are taken identical and tending to zero when the temperature increases. Properties of the elementary particles change drastically at the infinite temperature limit: all particles lose masses, all quarks are monochromatic. Electroweak interactions become long-range and are mediated by neutral currents. Particles of different kind do not interact. It looks like some stratification with only one sort of particles in each stratum. The Standard Model passes inmore » this limit through several stages, which are distinguished by the powers of the contraction parameter. For any stage intermediate models are constructed and the exact expressions for the respective Lagrangians are presented. The developed approach describes the evolution of the Standard Model in the early Universe from the Big Bang up to the end of several nanoseconds.« less

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

Sen, Oishik, E-mail: oishik-sen@uiowa.edu; Gaul, Nicholas J., E-mail: nicholas-gaul@ramdosolutions.com; Choi, K.K., E-mail: kyung-choi@uiowa.edu

Macro-scale computations of shocked particulate flows require closure laws that model the exchange of momentum/energy between the fluid and particle phases. Closure laws are constructed in this work in the form of surrogate models derived from highly resolved mesoscale computations of shock-particle interactions. The mesoscale computations are performed to calculate the drag force on a cluster of particles for different values of Mach Number and particle volume fraction. Two Kriging-based methods, viz. the Dynamic Kriging Method (DKG) and the Modified Bayesian Kriging Method (MBKG) are evaluated for their ability to construct surrogate models with sparse data; i.e. using the leastmore » number of mesoscale simulations. It is shown that if the input data is noise-free, the DKG method converges monotonically; convergence is less robust in the presence of noise. The MBKG method converges monotonically even with noisy input data and is therefore more suitable for surrogate model construction from numerical experiments. This work is the first step towards a full multiscale modeling of interaction of shocked particle laden flows.« less

Modelling the behaviour of additives in gun barrels

NASA Astrophysics Data System (ADS)

Rhodes, N.; Ludwig, J. C.

1986-01-01

A mathematical model which predicts the flow and heat transfer in a gun barrel is described. The model is transient, two-dimensional and equations are solved for velocities and enthalpies of a gas phase, which arises from the combustion of propellant and cartridge case, for particle additives which are released from the case; volume fractions of the gas and particles. Closure of the equations is obtained using a two-equation turbulence model. Preliminary calculations are described in which the proportions of particle additives in the cartridge case was altered. The model gives a good prediction of the ballistic performance and the gas to wall heat transfer. However, the expected magnitude of reduction in heat transfer when particles are present is not predicted. The predictions of gas flow invalidate some of the assumptions made regarding case and propellant behavior during combustion and further work is required to investigate these effects and other possible interactions, both chemical and physical, between gas and particles.

Rosin-Rammler Distributions in ANSYS Fluent

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

Dunham, Ryan Q.

In Health Physics monitoring, particles need to be collected and tracked. One method is to predict the motion of potential health hazards with computer models. Particles released from various sources within a glove box can become a respirable health hazard if released into the area surrounding a glove box. The goal of modeling the aerosols in a glove box is to reduce the hazards associated with a leak in the glove box system. ANSYS Fluent provides a number of tools for modeling this type of environment. Particles can be released using injections into the flow path with turbulent properties. Themore » models of particle tracks can then be used to predict paths and concentrations of particles within the flow. An attempt to understand and predict the handling of data by Fluent was made, and results iteratively tracked. Trends in data were studied to comprehend the final results. The purpose of the study was to allow a better understanding of the operation of Fluent for aerosol modeling for future application in many fields.« less

Modeling and simulation of the debonding process of composite solid propellants

NASA Astrophysics Data System (ADS)

Feng, Tao; Xu, Jin-sheng; Han, Long; Chen, Xiong

2017-07-01

In order to study the damage evolution law of composite solid propellants, the molecular dynamics particle filled algorithm was used to establish the mesoscopic structure model of HTPB(Hydroxyl-terminated polybutadiene) propellants. The cohesive element method was employed for the adhesion interface between AP(Ammonium perchlorate) particle and HTPB matrix and the bilinear cohesive zone model was used to describe the mechanical response of the interface elements. The inversion analysis method based on Hooke-Jeeves optimization algorithm was employed to identify the parameters of cohesive zone model(CZM) of the particle/binder interface. Then, the optimized parameters were applied to the commercial finite element software ABAQUS to simulate the damage evolution process for AP particle and HTPB matrix, including the initiation, development, gathering and macroscopic crack. Finally, the stress-strain simulation curve was compared with the experiment curves. The result shows that the bilinear cohesive zone model can accurately describe the debonding and fracture process between the AP particles and HTPB matrix under the uniaxial tension loading.

Particle acceleration and transport at a 2D CME-driven shock using the HAFv3 and PATH Code

NASA Astrophysics Data System (ADS)

Li, G.; Ao, X.; Fry, C. D.; Verkhoglyadova, O. P.; Zank, G. P.

2012-12-01

We study particle acceleration at a 2D CME-driven shock and the subsequent transport in the inner heliosphere (up to 2 AU) by coupling the kinematic Hakamada-Akasofu-Fry version 3 (HAFv3) solar wind model (Hakamada and Akasofu, 1982, Fry et al. 2003) with the Particle Acceleration and Transport in the Heliosphere (PATH) model (Zank et al., 2000, Li et al., 2003, 2005, Verkhoglyadova et al. 2009). The HAFv3 provides the evolution of a two-dimensional shock geometry and other plasma parameters, which are fed into the PATH model to investigate the effect of a varying shock geometry on particle acceleration and transport. The transport module of the PATH model is parallelized and utilizes the state-of-the-art GPU computation technique to achieve a rapid physics-based numerical description of the interplanetary energetic particles. Together with a fast execution of the HAFv3 model, the coupled code gives us a possibility to nowcast/forecast the interplanetary radiation environment.

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.

Mathematical models of continuous flow electrophoresis: Electrophoresis technology

NASA Technical Reports Server (NTRS)

Saville, Dudley A.

1986-01-01

Two aspects of continuous flow electrophoresis were studied: (1) the structure of the flow field in continuous flow devices; and (2) the electrokinetic properties of suspended particles relevant to electrophoretic separations. Mathematical models were developed to describe flow structure and stability, with particular emphasis on effects due to buoyancy. To describe the fractionation of an arbitrary particulate sample by continuous flow electrophoresis, a general mathematical model was constructed. In this model, chamber dimensions, field strength, buffer composition, and other design variables can be altered at will to study their effects on resolution and throughput. All these mathematical models were implemented on a digital computer and the codes are available for general use. Experimental and theoretical work with particulate samples probed how particle mobility is related to buffer composition. It was found that ions on the surface of small particles are mobile, contrary to the widely accepted view. This influences particle mobility and suspension conductivity. A novel technique was used to measure the mobility of particles in concentrated suspensions.

A variational multiscale method for particle-cloud tracking in turbomachinery flows

NASA Astrophysics Data System (ADS)

Corsini, A.; Rispoli, F.; Sheard, A. G.; Takizawa, K.; Tezduyar, T. E.; Venturini, P.

2014-11-01

We present a computational method for simulation of particle-laden flows in turbomachinery. The method is based on a stabilized finite element fluid mechanics formulation and a finite element particle-cloud tracking method. We focus on induced-draft fans used in process industries to extract exhaust gases in the form of a two-phase fluid with a dispersed solid phase. The particle-laden flow causes material wear on the fan blades, degrading their aerodynamic performance, and therefore accurate simulation of the flow would be essential in reliable computational turbomachinery analysis and design. The turbulent-flow nature of the problem is dealt with a Reynolds-Averaged Navier-Stokes model and Streamline-Upwind/Petrov-Galerkin/Pressure-Stabilizing/Petrov-Galerkin stabilization, the particle-cloud trajectories are calculated based on the flow field and closure models for the turbulence-particle interaction, and one-way dependence is assumed between the flow field and particle dynamics. We propose a closure model utilizing the scale separation feature of the variational multiscale method, and compare that to the closure utilizing the eddy viscosity model. We present computations for axial- and centrifugal-fan configurations, and compare the computed data to those obtained from experiments, analytical approaches, and other computational methods.

The SHiP project at CERN

NASA Astrophysics Data System (ADS)

De Lellis, G.; SHiP Collaboration

2016-07-01

The discovery of the Higgs boson has fully confirmed the Standard Model of particles and fields. Nevertheless, there are still fundamental phenomena, like the existence of dark matter and the baryon asymmetry, which deserve an explanation that could come from the discovery of new particles. Searches for new physics with accelerators are performed at the LHC, looking for high massive particles coupled to matter with ordinary strength. A new experimental facility at CERN meant to search for very weakly coupled particles in the few GeV mass domain has been recently proposed. The existence of such particles, foreseen in different theoretical models beyond the Standard Model, is largely unexplored. A beam dump facility using 400 GeV protons is a copious factory of charmed hadrons and could be used to probe the existence of such particles. The beam dump is also a copious source of neutrinos and in particular it is an ideal source of tau neutrinos, the less known particle in the Standard Model. Indeed, tau anti-neutrinos have not been directly observed so far. We report the physics potential of such an experiment. Resistive Plate Chambers could play a role in the SHiP detector.

Improved particle position accuracy from off-axis holograms using a Chebyshev model.

PubMed

Öhman, Johan; Sjödahl, Mikael

2018-01-01

Side scattered light from micrometer-sized particles is recorded using an off-axis digital holographic setup. From holograms, a volume is reconstructed with information about both intensity and phase. Finding particle positions is non-trivial, since poor axial resolution elongates particles in the reconstruction. To overcome this problem, the reconstructed wavefront around a particle is used to find the axial position. The method is based on the change in the sign of the curvature around the true particle position plane. The wavefront curvature is directly linked to the phase response in the reconstruction. In this paper we propose a new method of estimating the curvature based on a parametric model. The model is based on Chebyshev polynomials and is fit to the phase anomaly and compared to a plane wave in the reconstructed volume. From the model coefficients, it is possible to find particle locations. Simulated results show increased performance in the presence of noise, compared to the use of finite difference methods. The standard deviation is decreased from 3-39 μm to 6-10 μm for varying noise levels. Experimental results show a corresponding improvement where the standard deviation is decreased from 18 μm to 13 μm.

Modelling and validation of particle size distributions of supported nanoparticles using the pair distribution function technique

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

Gamez-Mendoza, Liliana; Terban, Maxwell W.; Billinge, Simon J. L.

The particle size of supported catalysts is a key characteristic for determining structure–property relationships. It is a challenge to obtain this information accurately andin situusing crystallographic methods owing to the small size of such particles (<5 nm) and the fact that they are supported. In this work, the pair distribution function (PDF) technique was used to obtain the particle size distribution of supported Pt catalysts as they grow under typical synthesis conditions. The PDF of Pt nanoparticles grown on zeolite X was isolated and refined using two models: a monodisperse spherical model (single particle size) and a lognormal size distribution.more » The results were compared and validated using scanning transmission electron microscopy (STEM) results. Both models describe the same trends in average particle size with temperature, but the results of the number-weighted lognormal size distributions can also accurately describe the mean size and the width of the size distributions obtained from STEM. Since the PDF yields crystallite sizes, these results suggest that the grown Pt nanoparticles are monocrystalline. This work shows that refinement of the PDF of small supported monocrystalline nanoparticles can yield accurate mean particle sizes and distributions.« less

Entrainment of solid particles over irregular wavy walls

NASA Astrophysics Data System (ADS)

Milici, Barbara

2017-11-01

The distribution of inertial particles in turbulent flows is highly nonuniform and is governed by the dynamics of turbulent structures of the underlying carrier flow field which, in turn, is affected by the presence of a loading of dispersed particles. The issue is discussed here focusing on the coupling between near-bed coherent structures and suspended solid particles dynamics, in wall-bounded turbulent multiphase flows, bounded by rough boundaries. The friction Reynolds number of the unladen flow is Reτ=180 and the dispersed phase spans one order of magnitude of particle diameter. The analysis takes into account fluid-particle interaction (two-way coupling) in the frame of the Particle-Source-In-Cell (PSIC) method, using Direct Numerical Simulations (DNS) for the carrier phase coupled with Lagrangian Particle Tracking (LPT) for the dispersed phase. The effect of the wall's roughness is taken into account modelling the elastic rebound of particles onto it, instead of using a virtual rebound model.

Capillary trapping in thin-film flows of particles

NASA Astrophysics Data System (ADS)

Sauret, Alban; Gomez, Michael; Dressaire, Emilie

Flows of suspensions have been modeled on a continuum level by using constitutive relations to capture how the viscosity varies with the particle concentration. However, in thin liquid films, where the thickness of the liquid layer is comparable to the particle size, the particles deform the liquid interface, which leads to local interactions. These effects modify the transport of particles and could result in the contamination of the surface and the loss of transported material. Here, we characterize how capillary interactions affect the transport and deposition of non-Brownian particles moving in thin liquid films. We focus on gravitational drainage flows, in which the film thickness becomes comparable to the particle size. Depending on the concentration of particles, we find that the dynamics of the drainage exhibits behavior that cannot be captured with a Newtonian model, due to the deposition of particles on the substrate. ANR-16-CE30-0009 and CNRS-PICS-07242.

Beamlets from stochastic acceleration

NASA Astrophysics Data System (ADS)

Perri, Silvia; Carbone, Vincenzo

2008-09-01

We investigate the dynamics of a realization of the stochastic Fermi acceleration mechanism. The model consists of test particles moving between two oscillating magnetic clouds and differs from the usual Fermi-Ulam model in two ways. (i) Particles can penetrate inside clouds before being reflected. (ii) Particles can radiate a fraction of their energy during the process. Since the Fermi mechanism is at work, particles are stochastically accelerated, even in the presence of the radiated energy. Furthermore, due to a kind of resonance between particles and oscillating clouds, the probability density function of particles is strongly modified, thus generating beams of accelerated particles rather than a translation of the whole distribution function to higher energy. This simple mechanism could account for the presence of beamlets in some space plasma physics situations.

A numerical determination of the evolution of cloud drop spectra due to condensation on natural aerosol particles

NASA Technical Reports Server (NTRS)

Lee, I. Y.; Haenel, G.; Pruppacher, H. R.

1980-01-01

The time variation in size of aerosol particles growing by condensation is studied numerically by means of an air parcel model which allows entrainment of air and aerosol particles. Particles of four types of aerosols typically occurring in atmospheric air masses were considered. The present model circumvents any assumption about the size distribution and chemical composition of the aerosol particles by basing the aerosol particle growth on actually observed size distributions and on observed amounts of water taken up under equilibrium by a deposit of the aerosol particles. Characteristic differences in the drop size distribution, liquid water content and supersaturation were found for the clouds which evolved from the four aerosol types considered.

Lattice gas models for particle systems in an underdamped hopping regime

NASA Astrophysics Data System (ADS)

Gobron, Thierry

A model in which the state of the particle is described by a multicomponent vector, each possible kinetic state for the particle being associated with one of the components is presented. A master equation describes the evolution of the probability distribution in an independent particle model. From the master equation and with the help of the symmetry group that leaves the state transition operator invariant, physical quantities such as the diffusion constant are explicitly calculated for several lattices in one, two, and three dimensions. A Boltzmann equation is established and compared to the Rice and Roth proposal.

Elementary particles, dark matter candidate and new extended standard model

NASA Astrophysics Data System (ADS)

Hwang, Jaekwang

2017-01-01

Elementary particle decays and reactions are discussed in terms of the three-dimensional quantized space model beyond the standard model. Three generations of the leptons and quarks correspond to the lepton charges. Three heavy leptons and three heavy quarks are introduced. And the bastons (new particles) are proposed as the possible candidate of the dark matters. Dark matter force, weak force and strong force are explained consistently. Possible rest masses of the new particles are, tentatively, proposed for the experimental searches. For more details, see the conference paper at https://www.researchgate.net/publication/308723916.

Griffiths' inequalities for Ashkin-Teller model

NASA Technical Reports Server (NTRS)

Lee, C. T.

1973-01-01

The two Griffiths' (1967) inequalities for the correlation functions of Ising ferromagnets with two-body interactions, and two other inequalities obtained by Kelly and Sherman (1968) and by Sherman (1969) are shown to hold not only for the Ashkin-Teller (1943) model but also for a generalized Ashkin-Teller model (Kihara et al., 1954) with many-body interactions involving arbitrary clusters of particles. A cluster of particles is understood to mean a collection of pairs of particles rather than a group of particles. The four generalized inequalities under consideration are presented in the form of theorems, and a new inequality is obtained.

Review of Heavy Charged Particle Transport in MCNP6.2

DOE PAGES

Zieb, Kristofer James Ekhart; Hughes, Henry Grady III; Xu, X. George; ...

2018-01-05

The release of version 6.2 of the MCNP6 radiation transport code is imminent. To complement the newest release, a summary of the heavy charged particle physics models used in the 1 MeV to 1 GeV energy regime is presented. Several changes have been introduced into the charged particle physics models since the merger of the MCNP5 and MCNPX codes into MCNP6. Here, this article discusses the default models used in MCNP6 for continuous energy loss, energy straggling, and angular scattering of heavy charged particles. Explanations of the physics models’ theories are included as well.

a Study of Dynamic Powder Consolidation Based on a Particle-Level Mathematical Model.

NASA Astrophysics Data System (ADS)

Williamson, Richard L.

A mathematical model is developed to investigate the effects of large amplitude shock waves on powder materials during dynamic consolidation. The model is constructed at the particle level, focusing on a region containing a few powder particles and the surrounding interstices. The general equations of continuum mechanics are solved over this region, using initial and boundary conditions appropriate for the consolidation process. Closure of the equation system is obtained using an analytical equation of state; relations are included to account for solid to liquid phase changes. An elastic, perfectly-plastic constitutive law, specifically modified to describe material behavior at high-strain-rates, is applied to the solid materials. To reduce complexity, the model is restricted to two dimensions, therefore individual particles are approximated as infinitely long cylinders rather than spheres. The equation system is solved using standard finite-difference numerical techniques. It is demonstrated that for typical consolidation conditions, energy diffusion mechanisms are insignificant during the rapid densification phase of consolidation. Using type 304 stainless steel powder material, the particle-level model is used to investigate the mechanisms responsible for particle surface heating and metallurgical bonding during consolidation. It is demonstrated that energy deposition near particle surfaces results both from rapid particle deformation during interstitial filling and large localized impacts occurring at the final instant of interstitial closure; particle interior regions remain at sufficiently low temperatures to avoid microstructural modification. Nonuniform metallurgical bonding is predicted around the particle periphery, ranging from complete fusion to mechanical abutment. Simulation results are used to investigate the detailed wave propagation phenomena at the particle level, providing an improved understanding of this complex behavior. A variety of parametric studies are conducted including investigations of the effects of stress wave amplitude and rise time, the role of interstitial gases during consolidation, and various geometric aspects including the importance of initial void fraction. The model is applied to a metal matrix composite system to investigate the consolidation of mixtures of differing materials; results of a two-dimensional experiment are included. Available experimental data are compared with simulation results. In general, very good agreement between simulation results and data is obtained.

Finite grid instability and spectral fidelity of the electrostatic Particle-In-Cell algorithm

DOE PAGES

Huang, C. -K.; Zeng, Y.; Wang, Y.; ...

2016-10-01

The origin of the Finite Grid Instability (FGI) is studied by resolving the dynamics in the 1D electrostatic Particle-In-Cell (PIC) model in the spectral domain at the single particle level and at the collective motion level. The spectral fidelity of the PIC model is contrasted with the underlying physical system or the gridless model. The systematic spectral phase and amplitude errors from the charge deposition and field interpolation are quantified for common particle shapes used in the PIC models. Lastly, it is shown through such analysis and in simulations that the lack of spectral fidelity relative to the physical systemmore » due to the existence of aliased spatial modes is the major cause of the FGI in the PIC model.« less

Millimeter wave propagation modeling of inhomogeneous rain media for satellite communications systems

NASA Technical Reports Server (NTRS)

Persinger, R. R.; Stutzman, W. L.

1978-01-01

A theoretical propagation model that represents the scattering properties of an inhomogeneous rain often found on a satellite communications link is presented. The model includes the scattering effects of an arbitrary distribution of particle type (rain or ice), particle shape, particle size, and particle orientation within a given rain cell. An associated rain propagation prediction program predicts attenuation, isolation and phase shift as a function of ground rain rate. A frequency independent synthetic storm algorithm is presented that models nonuniform rain rates present on a satellite link. Antenna effects are included along with a discussion of rain reciprocity. The model is verified using the latest available multiple frequency data from the CTS and COMSTAR satellites. The data covers a wide range of frequencies, elevation angles, and ground site locations.

DEM code-based modeling of energy accumulation and release in structurally heterogeneous rock masses

NASA Astrophysics Data System (ADS)

Lavrikov, S. V.; Revuzhenko, A. F.

2015-10-01

Based on discrete element method, the authors model loading of a physical specimen to describe its capacity to accumulate and release elastic energy. The specimen is modeled as a packing of particles with viscoelastic coupling and friction. The external elastic boundary of the packing is represented by particles connected by elastic springs. The latter means introduction of an additional special potential of interaction between the boundary particles, that exercises effect even when there is no direct contact between the particles. On the whole, the model specimen represents an element of a medium capable of accumulation of deformation energy in the form of internal stresses. The data of the numerical modeling of the physical specimen compression and the laboratory testing results show good qualitative consistency.

Finite grid instability and spectral fidelity of the electrostatic Particle-In-Cell algorithm

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

Huang, C. -K.; Zeng, Y.; Wang, Y.

The origin of the Finite Grid Instability (FGI) is studied by resolving the dynamics in the 1D electrostatic Particle-In-Cell (PIC) model in the spectral domain at the single particle level and at the collective motion level. The spectral fidelity of the PIC model is contrasted with the underlying physical system or the gridless model. The systematic spectral phase and amplitude errors from the charge deposition and field interpolation are quantified for common particle shapes used in the PIC models. Lastly, it is shown through such analysis and in simulations that the lack of spectral fidelity relative to the physical systemmore » due to the existence of aliased spatial modes is the major cause of the FGI in the PIC model.« less

The Aerosol Models in MODTRAN: Incorporating Selected Measurements From Northern Australia

DTIC Science & Technology

2005-12-01

biomass burning smoke aerosol is modelled assuming the particles are spherical and Mie scattering theory is used to calculate the extinction and...and therefore internally mixed aerosol particles are hygroscopic . Shettle and Fenn model the growth in the size of aerosol particles and changes in...by Sutherland and Khanna [21] was to obtain measurements of the optical properties of organic -based aerosols produced by burning vegetation.

Modeling Water Waves with Smoothed Particle Hydrodynamics

DTIC Science & Technology

2011-09-30

Lagrangian nature of SPH allows the modeling of wave breaking, surf zones, ship waves, and wave-structure interaction, where the free surface becomes...particle detection--To study free surface flows and analyze their complex deformations, we need to know which particles are located on the free surface ...Hydrodynamics is proving to be a competent modeling scheme for free surface flows in two and three dimensions. As the GPU hardware improves, it is

Coulomb explosion of uniformly charged spheroids

NASA Astrophysics Data System (ADS)

Grech, M.; Nuter, R.; Mikaberidze, A.; di Cintio, P.; Gremillet, L.; Lefebvre, E.; Saalmann, U.; Rost, J. M.; Skupin, S.

2011-11-01

A simple, semianalytical model is proposed for nonrelativistic Coulomb explosion of a uniformly charged spheroid. This model allows us to derive the time-dependent particle energy distributions. Simple expressions are also given for the characteristic explosion time and maximum particle energies in the limits of extreme prolate and oblate spheroids as well as for the sphere. Results of particle simulations are found to be in remarkably good agreement with the model.

Modelling and simulation of particle-particle interaction in a magnetophoretic bio-separation chip

NASA Astrophysics Data System (ADS)

Alam, Manjurul; Golozar, Matin; Darabi, Jeff

2018-04-01

A Lagrangian particle trajectory model is developed to predict the interaction between cell-bead particle complexes and to track their trajectories in a magnetophoretic bio-separation chip. Magnetic flux gradients are simulated in the OpenFOAM CFD software and imported into MATLAB to obtain the trapping lengths and trajectories of the particles. A connector vector is introduced to calculate the interaction force between cell-bead complexes as they flow through a microfluidic device. The interaction force calculations are performed for cases where the connector vector is parallel, perpendicular, and at an angle of 45° with the applied magnetic field. The trajectories of the particles are simulated by solving a system of eight ordinary differential equations using a fourth order Runge-Kutta method. The model is then used to study the effects of geometric positions and angles of the connector vector between the particles as well as the cell size, number of beads per cell, and flow rate on the interaction force and trajectories of the particles. The results show that the interaction forces may be attractive or repulsive, depending on the orientation of the connector vector distance between the particle complexes and the applied magnetic field. When the interaction force is attractive, the particles are observed to merge and trap sooner than a single particle, whereas a repulsive interaction force has little or no effect on the trapping length.

A coarse grained protein model with internal degrees of freedom. Application to α-synuclein aggregation

NASA Astrophysics Data System (ADS)

Ilie, Ioana M.; den Otter, Wouter K.; Briels, Wim J.

2016-02-01

Particles in simulations are traditionally endowed with fixed interactions. While this is appropriate for particles representing atoms or molecules, objects with significant internal dynamics—like sequences of amino acids or even an entire protein—are poorly modelled by invariable particles. We develop a highly coarse grained polymorph patchy particle with the ultimate aim of simulating proteins as chains of particles at the secondary structure level. Conformational changes, e.g., a transition between disordered and β-sheet states, are accommodated by internal coordinates that determine the shape and interaction characteristics of the particles. The internal coordinates, as well as the particle positions and orientations, are propagated by Brownian Dynamics in response to their local environment. As an example of the potential offered by polymorph particles, we model the amyloidogenic intrinsically disordered protein α-synuclein, involved in Parkinson's disease, as a single particle with two internal states. The simulations yield oligomers of particles in the disordered state and fibrils of particles in the "misfolded" cross-β-sheet state. The aggregation dynamics is complex, as aggregates can form by a direct nucleation-and-growth mechanism and by two-step-nucleation through conversions between the two cluster types. The aggregation dynamics is complex, with fibrils formed by direct nucleation-and-growth, by two-step-nucleation through the conversion of an oligomer and by auto-catalysis of this conversion.

Mathematical estimation of the level of microbial contamination on spacecraft surfaces by volumetric air sampling

NASA Technical Reports Server (NTRS)

Oxborrow, G. S.; Roark, A. L.; Fields, N. D.; Puleo, J. R.

1974-01-01

Microbiological sampling methods presently used for enumeration of microorganisms on spacecraft surfaces require contact with easily damaged components. Estimation of viable particles on surfaces using air sampling methods in conjunction with a mathematical model would be desirable. Parameters necessary for the mathematical model are the effect of angled surfaces on viable particle collection and the number of viable cells per viable particle. Deposition of viable particles on angled surfaces closely followed a cosine function, and the number of viable cells per viable particle was consistent with a Poisson distribution. Other parameters considered by the mathematical model included deposition rate and fractional removal per unit time. A close nonlinear correlation between volumetric air sampling and airborne fallout on surfaces was established with all fallout data points falling within the 95% confidence limits as determined by the mathematical model.

LAMMPS integrated materials engine (LIME) for efficient automation of particle-based simulations: application to equation of state generation

NASA Astrophysics Data System (ADS)

Barnes, Brian C.; Leiter, Kenneth W.; Becker, Richard; Knap, Jaroslaw; Brennan, John K.

2017-07-01

We describe the development, accuracy, and efficiency of an automation package for molecular simulation, the large-scale atomic/molecular massively parallel simulator (LAMMPS) integrated materials engine (LIME). Heuristics and algorithms employed for equation of state (EOS) calculation using a particle-based model of a molecular crystal, hexahydro-1,3,5-trinitro-s-triazine (RDX), are described in detail. The simulation method for the particle-based model is energy-conserving dissipative particle dynamics, but the techniques used in LIME are generally applicable to molecular dynamics simulations with a variety of particle-based models. The newly created tool set is tested through use of its EOS data in plate impact and Taylor anvil impact continuum simulations of solid RDX. The coarse-grain model results from LIME provide an approach to bridge the scales from atomistic simulations to continuum simulations.

A model of impulsive acceleration and transport of energetic particles in Mercury's magnetosphere

NASA Technical Reports Server (NTRS)

Baker, D. N.; Simpson, J. A.; Eraker, J. H.

1986-01-01

A qualitative model of substorm processes in the Mercury magnetosphere is presented based on Mariner 10 observations obtained in 1974-1975. The model is predicated on close analogies observed with the terrestrial case. Particular emphasis is given to energetic particle phenomena as observed by Mariner on March 29, 1974. The suggestion is supported that energetic particles up to about 500 keV are produced by strong induced electric fields at 3 to about 6 Mercury radii in the Hermean tail in association with substorm neutral line formation. The bursts of energetic particles produced are, in this model, subsequently confined on closed field lines near Mercury and drift adiabatically on quasi-trapped orbits for many tens of seconds. Such gradient and curvature drift of the particles can explain prominent periodicities of 5-10 s seen in the Mariner for greater than 170-keV electron flux profiles.

Gas/particle partitioning, particle-size distribution of atmospheric polybrominated diphenyl ethers in southeast Shanghai rural area and size-resolved predicting model.

PubMed

Su, Peng-Hao; Tomy, Gregg T; Hou, Chun-Yan; Yin, Fang; Feng, Dao-Lun; Ding, Yong-Sheng; Li, Yi-Fan

2018-04-01

A size-segregated gas/particle partitioning coefficient K Pi was proposed and evaluated in the predicting models on the basis of atmospheric polybrominated diphenyl ether (PBDE) field data comparing with the bulk coefficient K P . Results revealed that the characteristics of atmospheric PBDEs in southeast Shanghai rural area were generally consistent with previous investigations, suggesting that this investigation was representative to the present pollution status of atmospheric PBDEs. K Pi was generally greater than bulk K P , indicating an overestimate of TSP (the mass concentration of total suspended particles) in the expression of bulk K P . In predicting models, K Pi led to a significant shift in regression lines as compared to K P , thus it should be more cautious to investigate sorption mechanisms using the regression lines. The differences between the performances of K Pi and K P were helpful to explain some phenomenon in predicting investigations, such as P L 0 and K OA models overestimate the particle fractions of PBDEs and the models work better at high temperature than at low temperature. Our findings are important because they enabled an insight into the influence of particle size on predicting models. Copyright © 2018 Elsevier Ltd. All rights reserved.

A Simple Mathematical Model for Standard Model of Elementary Particles and Extension Thereof

NASA Astrophysics Data System (ADS)

Sinha, Ashok

2016-03-01

An algebraically (and geometrically) simple model representing the masses of the elementary particles in terms of the interaction (strong, weak, electromagnetic) constants is developed, including the Higgs bosons. The predicted Higgs boson mass is identical to that discovered by LHC experimental programs; while possibility of additional Higgs bosons (and their masses) is indicated. The model can be analyzed to explain and resolve many puzzles of particle physics and cosmology including the neutrino masses and mixing; origin of the proton mass and the mass-difference between the proton and the neutron; the big bang and cosmological Inflation; the Hubble expansion; etc. A novel interpretation of the model in terms of quaternion and rotation in the six-dimensional space of the elementary particle interaction-space - or, equivalently, in six-dimensional spacetime - is presented. Interrelations among particle masses are derived theoretically. A new approach for defining the interaction parameters leading to an elegant and symmetrical diagram is delineated. Generalization of the model to include supersymmetry is illustrated without recourse to complex mathematical formulation and free from any ambiguity. This Abstract represents some results of the Author's Independent Theoretical Research in Particle Physics, with possible connection to the Superstring Theory. However, only very elementary mathematics and physics is used in my presentation.

Probabilistic learning of nonlinear dynamical systems using sequential Monte Carlo

NASA Astrophysics Data System (ADS)

Schön, Thomas B.; Svensson, Andreas; Murray, Lawrence; Lindsten, Fredrik

2018-05-01

Probabilistic modeling provides the capability to represent and manipulate uncertainty in data, models, predictions and decisions. We are concerned with the problem of learning probabilistic models of dynamical systems from measured data. Specifically, we consider learning of probabilistic nonlinear state-space models. There is no closed-form solution available for this problem, implying that we are forced to use approximations. In this tutorial we will provide a self-contained introduction to one of the state-of-the-art methods-the particle Metropolis-Hastings algorithm-which has proven to offer a practical approximation. This is a Monte Carlo based method, where the particle filter is used to guide a Markov chain Monte Carlo method through the parameter space. One of the key merits of the particle Metropolis-Hastings algorithm is that it is guaranteed to converge to the "true solution" under mild assumptions, despite being based on a particle filter with only a finite number of particles. We will also provide a motivating numerical example illustrating the method using a modeling language tailored for sequential Monte Carlo methods. The intention of modeling languages of this kind is to open up the power of sophisticated Monte Carlo methods-including particle Metropolis-Hastings-to a large group of users without requiring them to know all the underlying mathematical details.

SPH modeling and simulation of spherical particles interacting in a viscoelastic matrix

NASA Astrophysics Data System (ADS)

Vázquez-Quesada, A.; Ellero, M.

2017-12-01

In this work, we extend the three-dimensional Smoothed Particle Hydrodynamics (SPH) non-colloidal particulate model previously developed for Newtonian suspending media in Vázquez-Quesada and Ellero ["Rheology and microstructure of non-colloidal suspensions under shear studied with smoothed particle hydrodynamics," J. Non-Newtonian Fluid Mech. 233, 37-47 (2016)] to viscoelastic matrices. For the solvent medium, the coarse-grained SPH viscoelastic formulation proposed in Vázquez-Quesada, Ellero, and Español ["Smoothed particle hydrodynamic model for viscoelastic fluids with thermal fluctuations," Phys. Rev. E 79, 056707 (2009)] is adopted. The property of this particular set of equations is that they are entirely derived within the general equation for non-equilibrium reversible-irreversible coupling formalism and therefore enjoy automatically thermodynamic consistency. The viscoelastic model is derived through a physical specification of a conformation-tensor-dependent entropy function for the fluid particles. In the simple case of suspended Hookean dumbbells, this delivers a specific SPH discretization of the Oldroyd-B constitutive equation. We validate the suspended particle model by studying the dynamics of single and mutually interacting "noncolloidal" rigid spheres under shear flow and in the presence of confinement. Numerical results agree well with available numerical and experimental data. It is straightforward to extend the particulate model to Brownian conditions and to more complex viscoelastic solvents.

Ultrafine particles dispersion modeling in a street canyon: development and evaluation of a composite lattice Boltzmann model.

PubMed

Habilomatis, George; Chaloulakou, Archontoula

2013-10-01

Recently, a branch of particulate matter research concerns on ultrafine particles found in the urban environment, which originate, to a significant extent, from traffic sources. In urban street canyons, dispersion of ultrafine particles affects pedestrian's short term exposure and resident's long term exposure as well. The aim of the present work is the development and the evaluation of a composite lattice Boltzmann model to study the dispersion of ultrafine particles, in urban street canyon microenvironment. The proposed model has the potential to penetrate into the physics of this complex system. In order to evaluate the model performance against suitable experimental data, ultrafine particles levels have been monitored on an hourly basis for a period of 35 days, in a street canyon, in Athens area. The results of the comparative analysis are quite satisfactory. Furthermore, our modeled results are in a good agreement with the results of other computational and experimental studies. This work is a first attempt to study the dispersion of an air pollutant by application of the lattice Boltzmann method. Copyright © 2013 Elsevier B.V. All rights reserved.

SEPEM: A tool for statistical modeling the solar energetic particle environment

NASA Astrophysics Data System (ADS)

Crosby, Norma; Heynderickx, Daniel; Jiggens, Piers; Aran, Angels; Sanahuja, Blai; Truscott, Pete; Lei, Fan; Jacobs, Carla; Poedts, Stefaan; Gabriel, Stephen; Sandberg, Ingmar; Glover, Alexi; Hilgers, Alain

2015-07-01

Solar energetic particle (SEP) events are a serious radiation hazard for spacecraft as well as a severe health risk to humans traveling in space. Indeed, accurate modeling of the SEP environment constitutes a priority requirement for astrophysics and solar system missions and for human exploration in space. The European Space Agency's Solar Energetic Particle Environment Modelling (SEPEM) application server is a World Wide Web interface to a complete set of cross-calibrated data ranging from 1973 to 2013 as well as new SEP engineering models and tools. Both statistical and physical modeling techniques have been included, in order to cover the environment not only at 1 AU but also in the inner heliosphere ranging from 0.2 AU to 1.6 AU using a newly developed physics-based shock-and-particle model to simulate particle flux profiles of gradual SEP events. With SEPEM, SEP peak flux and integrated fluence statistics can be studied, as well as durations of high SEP flux periods. Furthermore, effects tools are also included to allow calculation of single event upset rate and radiation doses for a variety of engineering scenarios.

Modelling the ocean circulation on the West Greenland shelf with special emphasis on northern shrimp recruitment

NASA Astrophysics Data System (ADS)

Hvid Ribergaard, Mads; Anker Pedersen, Søren; Ådlandsvik, Bjørn; Kliem, Nicolai

2004-08-01

The ocean circulation on the West Greenland shelf are modelled using a 3D finite element circulation model forced by wind data from the Danish Meteorological Institute-High-Resolution Limited Area Model operational atmospheric model for the Greenland area and tides at the open boundary. Residual anticyclonic eddies are generated around the shelf banks north of 64∘N and areas of permanent upwelling are located west of the shelf banks. The potential distances of shrimp larvae transport from larval release to settling at the bottom were studied, using a particle-tracking model. Particles released (hatched shrimp larvae) south of 62∘N had a probability of about 2% of being lost to the Canadian Shelf, whereas for particles released north of 64∘N almost none were lost from the West Greenland Shelf. The particles tended to have long retention times at the shelf banks caused by the residual anticyclonic eddies. The retention times increased slightly for particles tracked at depths from 80 to 30 m with minor implications for potential transport distances of larval shrimp and plankton.

Pre- and Post-Processing Tools to Create and Characterize Particle-Based Composite Model Structures

DTIC Science & Technology

2017-11-01

ARL-TR-8213 ● NOV 2017 US Army Research Laboratory Pre- and Post -Processing Tools to Create and Characterize Particle-Based...ARL-TR-8213 ● NOV 2017 US Army Research Laboratory Pre- and Post -Processing Tools to Create and Characterize Particle-Based Composite...AND SUBTITLE Pre- and Post -Processing Tools to Create and Characterize Particle-Based Composite Model Structures 5a. CONTRACT NUMBER 5b. GRANT

Pressure oscillations and instability of working processes in the combustion chambers of solid rocket motors

NASA Astrophysics Data System (ADS)

Emelyanov, V. N.; Teterina, I. V.; Volkov, K. N.; Garkushev, A. U.

2017-06-01

Metal particles are widely used in space engineering to increase specific impulse and to supress acoustic instability of intra-champber processes. A numerical analysis of the internal injection-driven turbulent gas-particle flows is performed to improve the current understanding and modeling capabilities of the complex flow characteristics in the combustion chambers of solid rocket motors (SRMs) in presence of forced pressure oscillations. The two-phase flow is simulated with a combined Eulerian-Lagrangian approach. The Reynolds-averaged Navier-Stokes equations and transport equations of k - ε model are solved numerically for the gas. The particulate phase is simulated through a Lagrangian deterministic and stochastic tracking models to provide particle trajectories and particle concentration. The results obtained highlight the crucial significance of the particle dispersion in turbulent flowfield and high potential of statistical methods. Strong coupling between acoustic oscillations, vortical motion, turbulent fluctuations and particle dynamics is observed.

Analysis of Particle Transport in DIII-D H-mode Plasma with a Generalized Pinch-Diffusion Model

NASA Astrophysics Data System (ADS)

Owen, L. W.; Stacey, W. M.; Groebner, R. J.; Callen, J. D.; Bonnin, X.

2009-11-01

Interpretative analyses of particle transport in the pedestal region of H-mode plasmas typically yield diffusion coefficients that are very small (<0.1 m^2/s) in the steep gradient region when a purely diffusive particle flux is fitted to the experimental density gradients. Previous evaluation of the particle and momentum balance equations using the experimental data indicated that the pedestal profiles are consistent with transport described by a pinch-diffusion particle flux relation [1]. This type of model is used to calculate the diffusion coefficient and pinch velocity in the core for an inter-ELM H-mode plasma in the DIII-D discharge 98889. Full-plasma SOPLS simulations using neutral beam particle and energy sources from ONETWO calculations and the model transport coefficients show good agreement with the measured density pedestal profile. 6pt [1] W.M. Stacey and R.J. Groebner, Phys. Plasmas 12, 042504 (2005).

Organic condensation - a vital link connecting aerosol formation to climate forcing

NASA Astrophysics Data System (ADS)

Riipinen, I.; Pierce, J. R.; Yli-Juuti, T.; Nieminen, T.; Häkkinen, S.; Ehn, M.; Junninen, H.; Lehtipalo, K.; Petäjä, T.; Slowik, J.; Chang, R.; Shantz, N. C.; Abbatt, J.; Leaitch, W. R.; Kerminen, V.-M.; Worsnop, D. R.; Pandis, S. N.; Donahue, N. M.; Kulmala, M.

2011-01-01

Atmospheric aerosol particles influence global climate as well as impair air quality through their effects on atmospheric visibility and human health. Ultrafine (<100 nm) particles often dominate aerosol numbers, and nucleation of atmospheric vapors is an important source of these particles. To have climatic relevance, however, the freshly-nucleated particles need to grow in size. We combine observations from two continental sites (Egbert, Canada and Hyytiälä, Finland) to show that condensation of organic vapors is a crucial factor governing the lifetimes and climatic importance of the smallest atmospheric particles. We demonstrate that state-of-the-science organic gas-particle partitioning models fail to reproduce the observations, and propose a modeling approach that is consistent with the measurements. We demonstrate the large sensitivity of climatic forcing of atmospheric aerosols to these interactions between organic vapors and the smallest atmospheric nanoparticles - highlighting the need for representing this process in global climate models.

A new dynamical atmospheric ionizing radiation (AIR) model for epidemiological studies

NASA Technical Reports Server (NTRS)

De Angelis, G.; Clem, J. M.; Goldhagen, P. E.; Wilson, J. W.

2003-01-01

A new Atmospheric Ionizing Radiation (AIR) model is currently being developed for use in radiation dose evaluation in epidemiological studies targeted to atmospheric flight personnel such as civilian airlines crewmembers. The model will allow computing values for biologically relevant parameters, e.g. dose equivalent and effective dose, for individual flights from 1945. Each flight is described by its actual three dimensional flight profile, i.e. geographic coordinates and altitudes varying with time. Solar modulated primary particles are filtered with a new analytical fully angular dependent geomagnetic cut off rigidity model, as a function of latitude, longitude, arrival direction, altitude and time. The particle transport results have been obtained with a technique based on the three-dimensional Monte Carlo transport code FLUKA, with a special procedure to deal with HZE particles. Particle fluxes are transformed into dose-related quantities and then integrated all along the flight path to obtain the overall flight dose. Preliminary validations of the particle transport technique using data from the AIR Project ER-2 flight campaign of measurements are encouraging. Future efforts will deal with modeling of the effects of the aircraft structure as well as inclusion of solar particle events. Published by Elsevier Ltd on behalf of COSPAR.

Simulation of large particle transport near the surface under stable conditions: comparison with the Hanford tracer experiments

NASA Astrophysics Data System (ADS)

Kim, Eugene; Larson, Timothy

A plume model is presented describing the downwind transport of large particles (1-100 μm) under stable conditions. The model includes both vertical variations in wind speed and turbulence intensity as well as an algorithm for particle deposition at the surface. Model predictions compare favorably with the Hanford single and dual tracer experiments of crosswind integrated concentration (for particles: relative bias=-0.02 and 0.16, normalized mean square error=0.61 and 0.14, for the single and dual tracer experiments, respectively), whereas the US EPA's fugitive dust model consistently overestimates the observed concentrations at downwind distances beyond several hundred meters (for particles: relative bias=0.31 and 2.26, mean square error=0.42 and 1.71, respectively). For either plume model, the measured ratio of particle to gas concentration is consistently overestimated when using the deposition velocity algorithm of Sehmel and Hodgson (1978. DOE Report PNL-SA-6721, Pacific Northwest Laboratories, Richland, WA). In contrast, these same ratios are predicted with relatively little bias when using the algorithm of Kim et al. (2000. Atmospheric Environment 34 (15), 2387-2397).

Strong control of Southern Ocean cloud reflectivity by ice-nucleating particles.

PubMed

Vergara-Temprado, Jesús; Miltenberger, Annette K; Furtado, Kalli; Grosvenor, Daniel P; Shipway, Ben J; Hill, Adrian A; Wilkinson, Jonathan M; Field, Paul R; Murray, Benjamin J; Carslaw, Ken S

2018-03-13

Large biases in climate model simulations of cloud radiative properties over the Southern Ocean cause large errors in modeled sea surface temperatures, atmospheric circulation, and climate sensitivity. Here, we combine cloud-resolving model simulations with estimates of the concentration of ice-nucleating particles in this region to show that our simulated Southern Ocean clouds reflect far more radiation than predicted by global models, in agreement with satellite observations. Specifically, we show that the clouds that are most sensitive to the concentration of ice-nucleating particles are low-level mixed-phase clouds in the cold sectors of extratropical cyclones, which have previously been identified as a main contributor to the Southern Ocean radiation bias. The very low ice-nucleating particle concentrations that prevail over the Southern Ocean strongly suppress cloud droplet freezing, reduce precipitation, and enhance cloud reflectivity. The results help explain why a strong radiation bias occurs mainly in this remote region away from major sources of ice-nucleating particles. The results present a substantial challenge to climate models to be able to simulate realistic ice-nucleating particle concentrations and their effects under specific meteorological conditions. Copyright © 2018 the Author(s). Published by PNAS.

Modeling of Particle Emission During Dry Orthogonal Cutting

NASA Astrophysics Data System (ADS)

Khettabi, Riad; Songmene, Victor; Zaghbani, Imed; Masounave, Jacques

2010-08-01

Because of the risks associated with exposure to metallic particles, efforts are being put into controlling and reducing them during the metal working process. Recent studies by the authors involved in this project have presented the effects of cutting speeds, workpiece material, and tool geometry on particle emission during dry machining; the authors have also proposed a new parameter, named the dust unit ( D u), for use in evaluating the quantity of particle emissions relative to the quantity of chips produced during a machining operation. In this study, a model for predicting the particle emission (dust unit) during orthogonal turning is proposed. This model, which is based on the energy approach combined with the microfriction and the plastic deformation of the material, takes into account the tool geometry, the properties of the worked material, the cutting conditions, and the chip segmentation. The model is validated using experimental results obtained during the orthogonal turning of 6061-T6 aluminum alloy, AISI 1018, AISI 4140 steels, and grey cast iron. A good agreement was found with experimental results. This model can help in designing strategies for reducing particle emission during machining processes, at the source.

The distribution of Enceladus water-group neutrals in Saturn’s Magnetosphere

NASA Astrophysics Data System (ADS)

Smith, Howard T.; Richardson, John D.

2017-10-01

Saturn’s magnetosphere is unique in that the plumes from the small icy moon, Enceladus, serve at the primary source for heavy particles in Saturn’s magnetosphere. The resulting co-orbiting neutral particles interact with ions, electrons, photons and other neutral particles to generate separate H2O, OH and O tori. Characterization of these toroidal distributions is essential for understanding Saturn magnetospheric sources, composition and dynamics. Unfortunately, limited direct observations of these features are available so modeling is required. A significant modeling challenge involves ensuring that either the plasma and neutral particle populations are not simply input conditions but can provide feedback to each population (i.e. are self-consistent). Jurac and Richardson (2005) executed such a self-consistent model however this research was performed prior to the return of Cassini data. In a similar fashion, we have coupled a 3-D neutral particle model (Smith et al. 2004, 2005, 2006, 2007, 2009, 2010) with a plasma transport model (Richardson 1998; Richardson & Jurac 2004) to develop a self-consistent model which is constrained by all available Cassini observations and current findings on Saturn’s magnetosphere and the Enceladus plume source resulting in much more accurate neutral particle distributions. Here a new self-consistent model of the distribution of the Enceladus-generated neutral tori that is validated by all available observations. We also discuss the implications for source rate and variability.

Intra-particle migration of mercury in granular polysulfide-rubber-coated activated carbon (PSR-AC)

PubMed Central

Kim, Eun-Ah; Masue-Slowey, Yoko; Fendorf, Scott; Luthy, Richard G.

2011-01-01

The depth profile of mercuric ion after the reaction with polysulfide-rubber-coated activated carbon (PSR-AC) was investigated using micro-x-ray fluorescence (μ-XRF) imaging techniques and mathematical modeling. The μ-XRF results revealed that mercury was concentrated at 0~100 μm from the exterior of the particle after three months of treatment with PSR-AC in 10 ppm HgCl2 aqueous solution. The μ-X-ray absorption near edge spectroscopic (μ-XANES) analyses indicated HgS as a major mercury species, and suggested that the intra-particle mercury transport involved a chemical reaction with PSR polymer. An intra-particle mass transfer model was developed based on either a Langmuir sorption isotherm with liquid phase diffusion (Langmuir model) or a kinetic sorption with surface diffusion (kinetic sorption model). The Langmuir model predicted the general trend of mercury diffusion, although at a slower rate than observed from the μ-XRF map. A kinetic sorption model suggested faster mercury transport, which overestimated the movement of mercuric ions through an exchange reaction between the fast and slow reaction sites. Both μ-XRF and mathematical modeling results suggest mercury removal occurs not only at the outer surface of the PSR-AC particle but also at some interior regions due to a large PSR surface area within an AC particle. PMID:22133913

Further studies of particle acceleration in cassiopeia A

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

Chevalier, R.A.; Oegerle, W.R.; Scott, J.S.

We have further investigated models for statistical particle acceleration in the supernova remnant Cas A. Simple (three-parameter) models involving continuous second order Fermi acceleration and variable relativistic particle injection can reproduce the observed radio properties of Cas A, including the low-frequency flux anomaly first noted by Erickson and Perley. Models dominated by adiabatic expansion losses are preferable to those dominated by particle escape. The gain time determined from these models agrees well with that predicted from the hydrodynamic situation in Cas A. A model predicting the high-frequency nonthermal spectrum of Cas A indicates that the spectrum turns down in themore » optical regime due to synchrotron losses. The maximum relativistic particle energy content of Cas A was probably about several times 10/sup 49/-10/sup 50/ ergs, which can be compared with an estimated initial kinetic energy in the range 0.24 to 1.0 x 10/sup 52/ ergs. If relativistic particles can escape from Cas A, their spectra will have certain characteristics: the electron spectrum will have a turnover due to synchrotron losses and the proton spectrum will have a cutoff due to the particle gyroradii becoming larger than the sizes of the magnetic scattering centers. The observed bend in the galactic cosmic ray spectrum could be due to energy losses within the source remnant itself instead of losses incurred during propagation through the Galaxy. We also comment on other models for the relativistic electron content of Cas A.« less

The photochemical formation and gas-particle partitioning of oxidation products of decamethyl cyclopentasiloxane and decamethyl tetrasiloxane in the atmosphere

NASA Astrophysics Data System (ADS)

Chandramouli, Bharadwaj; Kamens, Richard M.

Decamethyl cyclopentasiloxane (D 5) and decamethyl tetrasiloxane (MD 2M) were injected into a smog chamber containing fine Arizona road dust particles (95% surface area <2.6 μM) and an urban smog atmosphere in the daytime. A photochemical reaction - gas-particle partitioning reaction scheme, was implemented to simulate the formation and gas-particle partitioning of hydroxyl oxidation products of D 5 and MD 2M. This scheme incorporated the reactions of D 5 and MD 2M into an existing urban smog chemical mechanism carbon bond IV and partitioned the products between gas and particle phase by treating gas-particle partitioning as a kinetic process and specifying an uptake and off-gassing rate. A photochemical model PKSS was used to simulate this set of reactions. A Langmuirian partitioning model was used to convert the measured and estimated mass-based partitioning coefficients ( KP) to a molar or volume-based form. The model simulations indicated that >99% of all product silanol formed in the gas-phase partition immediately to particle phase and the experimental data agreed with model predictions. One product, D 4TOH was observed and confirmed for the D 5 reaction and this system was modeled successfully. Experimental data was inadequate for MD 2M reaction products and it is likely that more than one product formed. The model set up a framework into which more reaction and partitioning steps can be easily added.

An empirical model of human aspiration in low-velocity air using CFD investigations.

PubMed

Anthony, T Renée; Anderson, Kimberly R

2015-01-01

Computational fluid dynamics (CFD) modeling was performed to investigate the aspiration efficiency of the human head in low velocities to examine whether the current inhaled particulate mass (IPM) sampling criterion matches the aspiration efficiency of an inhaling human in airflows common to worker exposures. Data from both mouth and nose inhalation, averaged to assess omnidirectional aspiration efficiencies, were compiled and used to generate a unifying model to relate particle size to aspiration efficiency of the human head. Multiple linear regression was used to generate an empirical model to estimate human aspiration efficiency and included particle size as well as breathing and freestream velocities as dependent variables. A new set of simulated mouth and nose breathing aspiration efficiencies was generated and used to test the fit of empirical models. Further, empirical relationships between test conditions and CFD estimates of aspiration were compared to experimental data from mannequin studies, including both calm-air and ultra-low velocity experiments. While a linear relationship between particle size and aspiration is reported in calm air studies, the CFD simulations identified a more reasonable fit using the square of particle aerodynamic diameter, which better addressed the shape of the efficiency curve's decline toward zero for large particles. The ultimate goal of this work was to develop an empirical model that incorporates real-world variations in critical factors associated with particle aspiration to inform low-velocity modifications to the inhalable particle sampling criterion.

Current Fragmentation and Particle Acceleration in Solar Flares

NASA Astrophysics Data System (ADS)

Cargill, P. J.; Vlahos, L.; Baumann, G.; Drake, J. F.; Nordlund, Å.

2012-11-01

Particle acceleration in solar flares remains an outstanding problem in plasma physics and space science. While the observed particle energies and timescales can perhaps be understood in terms of acceleration at a simple current sheet or turbulence site, the vast number of accelerated particles, and the fraction of flare energy in them, defies any simple explanation. The nature of energy storage and dissipation in the global coronal magnetic field is essential for understanding flare acceleration. Scenarios where the coronal field is stressed by complex photospheric motions lead to the formation of multiple current sheets, rather than the single monolithic current sheet proposed by some. The currents sheets in turn can fragment into multiple, smaller dissipation sites. MHD, kinetic and cellular automata models are used to demonstrate this feature. Particle acceleration in this environment thus involves interaction with many distributed accelerators. A series of examples demonstrate how acceleration works in such an environment. As required, acceleration is fast, and relativistic energies are readily attained. It is also shown that accelerated particles do indeed interact with multiple acceleration sites. Test particle models also demonstrate that a large number of particles can be accelerated, with a significant fraction of the flare energy associated with them. However, in the absence of feedback, and with limited numerical resolution, these results need to be viewed with caution. Particle in cell models can incorporate feedback and in one scenario suggest that acceleration can be limited by the energetic particles reaching the condition for firehose marginal stability. Contemporary issues such as footpoint particle acceleration are also discussed. It is also noted that the idea of a "standard flare model" is ill-conceived when the entire distribution of flare energies is considered.

The drag and terminal velocity of volcanic ash and lapilli with 3D shape obtained by X-ray microtomography

NASA Astrophysics Data System (ADS)

Dioguardi, Fabio; Mele, Daniela; Dellino, Pierfrancesco; Dürig, Tobias

2017-04-01

New experiments of falling volcanic particles were performed in order to define drag and terminal velocity models applicable in a wide range of Reynolds number Re. Experiments were carried out with fluids of various viscosities and with particles that cover a wide range of size, density and shape. Particle shape, which strongly influences fluid drag, was measured in 3D by High-resolution X-ray microtomography, by which sphericity and fractal dimension were obtained, the latter used for quantifying the aerodynamic drag of irregular particles for the first time. With this method, the measure of particle shape descriptors proved to be easier and less operator dependent than previously used 2D image particle analyses. Drag laws that make use of the new 3D parameters were obtained by fitting particle data to the experiments, and single-equation terminal velocity models were derived. They work well both at high and low Re (3x10-2 < Re < 104), while earlier formulations made use of different equations at different ranges of Re. The new drag laws are well suited for the modelling of particle transportation both in the eruptive column and pyroclastic density currents, where coarse and fine particles are present, and also in the distal part of the umbrella region, where fine ash is involved in the large-scale domains of atmospheric circulation. A table of the typical values of 3D sphericity and fractal dimension of particles from known plinian, subplinian and ash plume eruptions is presented. Graphs of terminal velocity as a function of grain size are proposed as tools to help volcanologists and atmosphere scientists to model particle transportation of explosive eruptions. Some volcanological application examples are finally presented.

Measurements of meteor smoke particles during the ECOMA-2006 campaign: 2. Results

NASA Astrophysics Data System (ADS)

Strelnikova, Irina; Rapp, Markus; Strelnikov, Boris; Baumgarten, Gerd; Brattli, Alvin; Svenes, Knut; Hoppe, Ulf-Peter; Friedrich, Martin; Gumbel, Jörg; Williams, Bifford P.

2009-03-01

The first sounding rocket of the European ECOMA-project (ECOMA, Existence and Charge state Of Meteoric smoke particles in the middle Atmosphere) was launched on 8 September 2006. Measurements with a new particle detector described in the companion paper by Rapp and Strelnikova [2008. Measurements of meteor smoke particles during the ECOMA-2006 campaign: 1. Particle detection by active photoionization. Journal of Atmospheric and Solar-Terrestrial Physics, this issue, doi:10.1016/j.jastp.2008.06.002] clearly showed meteor smoke particle (MSP) signatures in both data channels. The data channels measure particles directly impacting on the detector electrode and photoelectrons from the particles actively created using ionization by the UV-photons of a xenon-flashlamp. Measured photoelectron currents resemble model expectations of the shape of the MSP layer almost perfectly, whereas derived number densities in the altitude range 60-90 km are larger than model results by about a factor of 5. Given the large uncertainties inherent to both model and the analysis of our measurements (e.g., the composition of the particles is not known and must be assumed) we consider this a satisfactory agreement and proof that MSPs do extend throughout the entire mesosphere as predicted by models. The measurements of direct particle impacts revealed a confined layer of negative charge between 80 and 90 km. This limited altitude range, however, is quantitatively shown to be the consequence of the aerodynamics of the rocket flight and does not have any geophysical origin. Measured charge signatures are consistent with expectations of particle charging given our own measurements of the background ionization. Unfortunately, however, a contamination of these measurements from triboelectric charging cannot be excluded at this stage.

Estimating Colloidal Contact Model Parameters Using Quasi-Static Compression Simulations.

PubMed

Bürger, Vincent; Briesen, Heiko

2016-10-05

For colloidal particles interacting in suspensions, clusters, or gels, contact models should attempt to include all physical phenomena experimentally observed. One critical point when formulating a contact model is to ensure that the interaction parameters can be easily obtained from experiments. Experimental determinations of contact parameters for particles either are based on bulk measurements for simulations on the macroscopic scale or require elaborate setups for obtaining tangential parameters such as using atomic force microscopy. However, on the colloidal scale, a simple method is required to obtain all interaction parameters simultaneously. This work demonstrates that quasi-static compression of a fractal-like particle network provides all the necessary information to obtain particle interaction parameters using a simple spring-based contact model. These springs provide resistances against all degrees of freedom associated with two-particle interactions, and include critical forces or moments where such springs break, indicating a bond-breakage event. A position-based cost function is introduced to show the identifiability of the two-particle contact parameters, and a discrete, nonlinear, and non-gradient-based global optimization method (simplex with simulated annealing, SIMPSA) is used to minimize the cost function calculated from deviations of particle positions. Results show that, in principle, all necessary contact parameters for an arbitrary particle network can be identified, although numerical efficiency as well as experimental noise must be addressed when applying this method. Such an approach lays the groundwork for identifying particle-contact parameters from a position-based particle analysis for a colloidal system using just one experiment. Spring constants also directly influence the time step of the discrete-element method, and a detailed knowledge of all necessary interaction parameters will help to improve the efficiency of colloidal particle simulations.

Magnetic particle tracking for nonspherical particles in a cylindrical fluidized bed.

PubMed

Buist, Kay A; Jayaprakash, Pavithra; Kuipers, J A M; Deen, Niels G; Padding, Johan T

2017-12-01

In granular flow operations, often particles are nonspherical. This has inspired a vast amount of research in understanding the behavior of these particles. Various models are being developed to study the hydrodynamics involving nonspherical particles. Experiments however are often limited to obtain data on the translational motion only. This paper focusses on the unique capability of Magnetic Particle Tracking to track the orientation of a marker in a full 3-D cylindrical fluidized bed. Stainless steel particles with the same volume and different aspect ratios are fluidized at a range of superficial gas velocities. Spherical and rod-like particles show distinctly different fluidization behavior. Also, the distribution of angles for rod-like particles changes with position in the fluidized bed as well as with the superficial velocity. Magnetic Particle Tracking shows its unique capability to study both spatial distribution and orientation of the particles allowing more in-depth validation of Discrete Particle Models. © 2017 The Authors AIChE Journal published by Wiley Periodicals, Inc. on behalf of American Institute of Chemical Engineers , 63: 5335-5342, 2017.

Evaluation of Potential Climate Change Impacts on Particle Movement in Open Channel Flow

NASA Astrophysics Data System (ADS)

Lin, E.; Tsai, C.

2014-12-01

It is important to develop a forecast model to predict the trajectory of sediment particles when extreme flow events occur. In extreme flow environments, the stochastic jump diffusion particle tracking model (SJD-PTM) can be used to model the movement of sediment particles in response to extreme events. This proposed SJD-PTM can be separated into three main parts — a drift motion, a turbulence term and a jump term due to random occurrences of extreme flow events. The study is intended to modify the jump term, which models the abrupt changes of particle position in the extreme flow environments. The frequency of extreme flow occurrences might change due to many uncertain factors such as climate change. The study attempts to use the concept of the logistic regression and the parameter of odds ratio, namely the trend magnitude to investigate the frequency change of extreme flow event occurrences and its impact on sediment particle movement. With the SJD-PTM, the ensemble mean and variance of particle trajectory can be quantified via simulations. The results show that by taking the effect of the trend magnitude into consideration, the particle position and its uncertainty may undergo a significant increase. Such findings will have many important implications to the environmental and hydraulic engineering design and planning. For instance, when the frequency of the occurrence of flow events with higher extremity increases, particles can travel further and faster downstream. It is observed that flow events with higher extremity can induce a higher degree of entrainment and particle resuspension, and consequently more significant bed and bank erosion.

Constraints on the microphysics of Pluto's photochemical haze from New Horizons observations

NASA Astrophysics Data System (ADS)

Gao, Peter; Fan, Siteng; Wong, Michael L.; Liang, Mao-Chang; Shia, Run-Lie; Kammer, Joshua A.; Yung, Yuk L.; Summers, Michael E.; Gladstone, G. Randall; Young, Leslie A.; Olkin, Catherine B.; Ennico, Kimberly; Weaver, Harold A.; Stern, S. Alan; New Horizons Science Team

2017-05-01

The New Horizons flyby of Pluto confirmed the existence of hazes in its atmosphere. Observations of a large high- to low- phase brightness ratio, combined with the blue color of the haze (indicative of Rayleigh scattering), suggest that the haze particles are fractal aggregates, perhaps analogous to the photochemical hazes on Titan. Therefore, studying the Pluto hazes can shed light on the similarities and differences between the Pluto and Titan atmospheres. We model the haze distribution using the Community Aerosol and Radiation Model for Atmospheres assuming that the distribution is shaped by downward transport and coagulation of particles originating from photochemistry. Hazes composed of both purely spherical and purely fractal aggregate particles are considered. General agreement between model results and solar occultation observations is obtained with aggregate particles when the downward mass flux of photochemical products is equal to the column-integrated methane destruction rate ∼1.2 × 10-14 g cm-2 s-1, while for spherical particles the mass flux must be 2-3 times greater. This flux is nearly identical to the haze production flux of Titan previously obtained by comparing microphysical model results to Cassini observations. The aggregate particle radius is sensitive to particle charging effects, and a particle charge to radius ratio of 30 e-/μm is necessary to produce ∼0.1-0.2 μm aggregates near Pluto's surface, in accordance with forward scattering measurements. Such a particle charge to radius ratio is 2-4 times higher than those previously obtained for Titan. Hazes composed of spheres with the same particle charge to radius ratio have particles that are 4 times smaller at Pluto's surface. These results further suggest that the haze particles are fractal aggregates. We also consider the effect of condensation of HCN, C2H2, C2H4, and C2H6 on the haze particles, which may play an important role in shaping their altitude and size distributions.

The Martian surface radiation environment - a comparison of models and MSL/RAD measurements

NASA Astrophysics Data System (ADS)

Matthiä, Daniel; Ehresmann, Bent; Lohf, Henning; Köhler, Jan; Zeitlin, Cary; Appel, Jan; Sato, Tatsuhiko; Slaba, Tony; Martin, Cesar; Berger, Thomas; Boehm, Eckart; Boettcher, Stephan; Brinza, David E.; Burmeister, Soenke; Guo, Jingnan; Hassler, Donald M.; Posner, Arik; Rafkin, Scot C. R.; Reitz, Günther; Wilson, John W.; Wimmer-Schweingruber, Robert F.

2016-03-01

Context: The Radiation Assessment Detector (RAD) on the Mars Science Laboratory (MSL) has been measuring the radiation environment on the surface of Mars since August 6th 2012. MSL-RAD is the first instrument to provide detailed information about charged and neutral particle spectra and dose rates on the Martian surface, and one of the primary objectives of the RAD investigation is to help improve and validate current radiation transport models. Aims: Applying different numerical transport models with boundary conditions derived from the MSL-RAD environment the goal of this work was to both provide predictions for the particle spectra and the radiation exposure on the Martian surface complementing the RAD sensitive range and, at the same time, validate the results with the experimental data, where applicable. Such validated models can be used to predict dose rates for future manned missions as well as for performing shield optimization studies. Methods: Several particle transport models (GEANT4, PHITS, HZETRN/OLTARIS) were used to predict the particle flux and the corresponding radiation environment caused by galactic cosmic radiation on Mars. From the calculated particle spectra the dose rates on the surface are estimated. Results: Calculations of particle spectra and dose rates induced by galactic cosmic radiation on the Martian surface are presented. Although good agreement is found in many cases for the different transport codes, GEANT4, PHITS, and HZETRN/OLTARIS, some models still show large, sometimes order of magnitude discrepancies in certain particle spectra. We have found that RAD data is helping to make better choices of input parameters and physical models. Elements of these validated models can be applied to more detailed studies on how the radiation environment is influenced by solar modulation, Martian atmosphere and soil, and changes due to the Martian seasonal pressure cycle. By extending the range of the calculated particle spectra with respect to the experimental data additional information about the radiation environment is gained, and the contribution of different particle species to the dose is estimated.

Predictive accuracy of particle filtering in dynamic models supporting outbreak projections.

PubMed

Safarishahrbijari, Anahita; Teyhouee, Aydin; Waldner, Cheryl; Liu, Juxin; Osgood, Nathaniel D

2017-09-26

While a new generation of computational statistics algorithms and availability of data streams raises the potential for recurrently regrounding dynamic models with incoming observations, the effectiveness of such arrangements can be highly subject to specifics of the configuration (e.g., frequency of sampling and representation of behaviour change), and there has been little attempt to identify effective configurations. Combining dynamic models with particle filtering, we explored a solution focusing on creating quickly formulated models regrounded automatically and recurrently as new data becomes available. Given a latent underlying case count, we assumed that observed incident case counts followed a negative binomial distribution. In accordance with the condensation algorithm, each such observation led to updating of particle weights. We evaluated the effectiveness of various particle filtering configurations against each other and against an approach without particle filtering according to the accuracy of the model in predicting future prevalence, given data to a certain point and a norm-based discrepancy metric. We examined the effectiveness of particle filtering under varying times between observations, negative binomial dispersion parameters, and rates with which the contact rate could evolve. We observed that more frequent observations of empirical data yielded super-linearly improved accuracy in model predictions. We further found that for the data studied here, the most favourable assumptions to make regarding the parameters associated with the negative binomial distribution and changes in contact rate were robust across observation frequency and the observation point in the outbreak. Combining dynamic models with particle filtering can perform well in projecting future evolution of an outbreak. Most importantly, the remarkable improvements in predictive accuracy resulting from more frequent sampling suggest that investments to achieve efficient reporting mechanisms may be more than paid back by improved planning capacity. The robustness of the results on particle filter configuration in this case study suggests that it may be possible to formulate effective standard guidelines and regularized approaches for such techniques in particular epidemiological contexts. Most importantly, the work tentatively suggests potential for health decision makers to secure strong guidance when anticipating outbreak evolution for emerging infectious diseases by combining even very rough models with particle filtering method.

Optical properties of soot particles: measurement - model comparison

NASA Astrophysics Data System (ADS)

Forestieri, S.; Lambe, A. T.; Lack, D.; Massoli, P.; Cross, E. S.; Dubey, M.; Mazzoleni, C.; Olfert, J.; Freedman, A.; Davidovits, P.; Onasch, T. B.; Cappa, C. D.

2013-12-01

Soot, a product of incomplete combustion, plays an important role in the earth's climate system through the absorption and scattering of solar radiation. In order to accurately model the direct radiative impact of black carbon (BC), the refractive index and shape dependent scattering and absorption characteristics must be known. At present, the assumed shape remains highly uncertain because BC particles are fractal-like, being agglomerates of smaller (20-40 nm) spherules, yet traditional optical models such as Mie theory typically assume a spherical particle morphology. To investigate the ability of various optical models to reproduce observed BC optical properties, we measured light absorption and extinction coefficients of methane and ethylene flame soot particles. Optical properties were measured by multiple instruments: absorption by a dual cavity ringdown photoacoustic spectrometer (CRD-PAS), absorption and scattering by a 3-wavelength photoacoustic/nephelometer spectrometer (PASS-3) and extinction and scattering by a cavity attenuated phase shift spectrometer (CAPS). Soot particle mass was quantified using a centrifugal particle mass analyzer (CPMA) and mobility size was measured with a scanning mobility particle sizer (SMPS). Measurements were made for nascent soot particles and for collapsed soot particles following coating with dioctyl sebacate or sulfuric acid and thermal denuding to remove the coating. Wavelength-dependent refractive indices for the sampled particles were derived by fitting the observed absorption and extinction cross-sections to spherical particle Mie theory and Rayleigh-Debye-Gans theory. The Rayleigh-Debye-Gans approximation assumes that the absorption properties of soot are dictated by the individual spherules and neglects interaction between them. In general, Mie theory reproduces the observed absorption and extinction cross-sections for particles with volume equivalent diameters (VED) < ~160 nm, but systematically predicts lower absorption cross-sections relative to observations for larger particles with VED > ~160 nm. The discrepancy is most pronounced for measurements made at shorter wavelengths. In contrast, Rayleigh-Debye-Gans theory, which does not assume spherical particle morphology, exhibited good agreement with the observations for all particle diameters and wavelengths. These results indicate that the use of Mie theory to describe the absorption behavior of particles >160 nm VED will underestimate the absorption by these particles. Concurrent measurements of the absorption Angstrom exponent and the single scattering albedo, and their dependence on particle size, will also be discussed.

Vector-based model of elastic bonds for simulation of granular solids.

PubMed

Kuzkin, Vitaly A; Asonov, Igor E

2012-11-01

A model (further referred to as the V model) for the simulation of granular solids, such as rocks, ceramics, concrete, nanocomposites, and agglomerates, composed of bonded particles (rigid bodies), is proposed. It is assumed that the bonds, usually representing some additional gluelike material connecting particles, cause both forces and torques acting on the particles. Vectors rigidly connected with the particles are used to describe the deformation of a single bond. The expression for potential energy of the bond and corresponding expressions for forces and torques are derived. Formulas connecting parameters of the model with longitudinal, shear, bending, and torsional stiffnesses of the bond are obtained. It is shown that the model makes it possible to describe any values of the bond stiffnesses exactly; that is, the model is applicable for the bonds with arbitrary length/thickness ratio. Two different calibration procedures depending on bond length/thickness ratio are proposed. It is shown that parameters of the model can be chosen so that under small deformations the bond is equivalent to either a Bernoulli-Euler beam or a Timoshenko beam or short cylinder connecting particles. Simple analytical expressions, relating parameters of the V model with geometrical and mechanical characteristics of the bond, are derived. Two simple examples of computer simulation of thin granular structures using the V model are given.

Airflow and Particle Transport Through Human Airways: A Systematic Review

NASA Astrophysics Data System (ADS)

Kharat, S. B.; Deoghare, A. B.; Pandey, K. M.

2017-08-01

This paper describes review of the relevant literature about two phase analysis of air and particle flow through human airways. An emphasis of the review is placed on elaborating the steps involved in two phase analysis, which are Geometric modelling methods and Mathematical models. The first two parts describes various approaches that are followed for constructing an Airway model upon which analysis are conducted. Broad two categories of geometric modelling viz. Simplified modelling and Accurate modelling using medical scans are discussed briefly. Ease and limitations of simplified models, then examples of CT based models are discussed. In later part of the review different mathematical models implemented by researchers for analysis are briefed. Mathematical models used for Air and Particle phases are elaborated separately.

Particle Size, Composition, and Ocean Temperature Govern the Global Distribution of Particle Transfer Efficiency to the Mesopelagic

NASA Astrophysics Data System (ADS)

Cram, J. A.; Weber, T. S.; Leung, S.; Deutsch, C. A.

2016-02-01

New analyses of geochemical tracer data detect significant differences between ocean basins in the depth scale of particle remineralization, with deepest in high latitudes, shallowest in the subtropical gyres, and intermediate in the tropics. We evaluate the possible causes of this pattern using a mechanistic model of particle dynamics that includes microbial colonization, detachment, and degradation of sinking particles. The model represents the size structure of particles, the effects of mineral ballast (diagnosed from alkalinity and silicate distributions) and seawater temperature (which influences particle velocity and microbial metabolic rates). We find that diagnosed spatial patterns in particle flux profiles can be best reproduced through a combination of surface particle size distribution and temperature, which both favor low transfer efficiency in subtropical gyres, and high transfer efficiency in higher latitudes and intermediate tropical values. Particle mineral content is shown to significantly modulate these patterns, albeit with a high remaining uncertainty. Implications of these mechanisms for changes in biological carbon storage in a warmer ocean are examined.

Direct Numerical Simulation of dense particle-laden turbulent flows using immersed boundaries

NASA Astrophysics Data System (ADS)

Wang, Fan; Desjardins, Olivier

2009-11-01

Dense particle-laden turbulent flows play an important role in many engineering applications, ranging from pharmaceutical coating and chemical synthesis to fluidized bed reactors. Because of the complexity of the physics involved in these flows, current computational models for gas-particle processes, such as drag and heat transfer, rely on empirical correlations and have been shown to lack accuracy. In this work, direct numerical simulations (DNS) of dense particle-laden flows are conducted, using immersed boundaries (IB) to resolve the flow around each particle. First, the accuracy of the proposed approach is tested on a range of 2D and 3D flows at various Reynolds numbers, and resolution requirements are discussed. Then, various particle arrangements and number densities are simulated, the impact on particle wake interaction is assessed, and existing drag models are evaluated in the case of fixed particles. In addition, the impact of the particles on turbulence dissipation is investigated. Finally, a strategy for handling moving and colliding particles is discussed.

Modeling and measurements of urban aerosol processes on the neighborhood scale in Rotterdam, Oslo and Helsinki

NASA Astrophysics Data System (ADS)

Karl, Matthias; Kukkonen, Jaakko; Keuken, Menno P.; Lützenkirchen, Susanne; Pirjola, Liisa; Hussein, Tareq

2016-04-01

This study evaluates the influence of aerosol processes on the particle number (PN) concentrations in three major European cities on the temporal scale of 1 h, i.e., on the neighborhood and city scales. We have used selected measured data of particle size distributions from previous campaigns in the cities of Helsinki, Oslo and Rotterdam. The aerosol transformation processes were evaluated using the aerosol dynamics model MAFOR, combined with a simplified treatment of roadside and urban atmospheric dispersion. We have compared the model predictions of particle number size distributions with the measured data, and conducted sensitivity analyses regarding the influence of various model input variables. We also present a simplified parameterization for aerosol processes, which is based on the more complex aerosol process computations; this simple model can easily be implemented to both Gaussian and Eulerian urban dispersion models. Aerosol processes considered in this study were (i) the coagulation of particles, (ii) the condensation and evaporation of two organic vapors, and (iii) dry deposition. The chemical transformation of gas-phase compounds was not taken into account. By choosing concentrations and particle size distributions at roadside as starting point of the computations, nucleation of gas-phase vapors from the exhaust has been regarded as post tail-pipe emission, avoiding the need to include nucleation in the process analysis. Dry deposition and coagulation of particles were identified to be the most important aerosol dynamic processes that control the evolution and removal of particles. The error of the contribution from dry deposition to PN losses due to the uncertainty of measured deposition velocities ranges from -76 to +64 %. The removal of nanoparticles by coagulation enhanced considerably when considering the fractal nature of soot aggregates and the combined effect of van der Waals and viscous interactions. The effect of condensation and evaporation of organic vapors emitted by vehicles on particle numbers and on particle size distributions was examined. Under inefficient dispersion conditions, the model predicts that condensational growth contributes to the evolution of PN from roadside to the neighborhood scale. The simplified parameterization of aerosol processes predicts the change in particle number concentrations between roadside and urban background within 10 % of that predicted by the fully size-resolved MAFOR model.

A Melting Layer Model for Passive/Active Microwave Remote Sensing Applications. Part 1; Model Formulation and Comparison with Observations

NASA Technical Reports Server (NTRS)

Olson, William S.; Bauer, Peter; Viltard, Nicolas F.; Johnson, Daniel E.; Tao, Wei-Kuo

2000-01-01

In this study, a 1-D steady-state microphysical model which describes the vertical distribution of melting precipitation particles is developed. The model is driven by the ice-phase precipitation distributions just above the freezing level at applicable gridpoints of "parent" 3-D cloud-resolving model (CRM) simulations. It extends these simulations by providing the number density and meltwater fraction of each particle in finely separated size categories through the melting layer. The depth of the modeled melting layer is primarily determined by the initial material density of the ice-phase precipitation. The radiative properties of melting precipitation at microwave frequencies are calculated based upon different methods for describing the dielectric properties of mixed phase particles. Particle absorption and scattering efficiencies at the Tropical Rainfall Measuring Mission Microwave Imager frequencies (10.65 to 85.5 GHz) are enhanced greatly for relatively small (approx. 0.1) meltwater fractions. The relatively large number of partially-melted particles just below the freezing level in stratiform regions leads to significant microwave absorption, well-exceeding the absorption by rain at the base of the melting layer. Calculated precipitation backscatter efficiencies at the Precipitation Radar frequency (13.8 GHz) increase in proportion to the particle meltwater fraction, leading to a "bright-band" of enhanced radar reflectivities in agreement with previous studies. The radiative properties of the melting layer are determined by the choice of dielectric models and the initial water contents and material densities of the "seeding" ice-phase precipitation particles. Simulated melting layer profiles based upon snow described by the Fabry-Szyrmer core-shell dielectric model and graupel described by the Maxwell-Garnett water matrix dielectric model lead to reasonable agreement with radar-derived melting layer optical depth distributions. Moreover, control profiles that do not contain mixed-phase precipitation particles yield optical depths that are systematically lower than those observed. Therefore, the use of the melting layer model to extend 3-D CRM simulations appears justified, at least until more realistic spectral methods for describing melting precipitation in high-resolution, 3-D CRM's are implemented.

Testing particle filters on convective scale dynamics

NASA Astrophysics Data System (ADS)

Haslehner, Mylene; Craig, George. C.; Janjic, Tijana

2014-05-01

Particle filters have been developed in recent years to deal with highly nonlinear dynamics and non Gaussian error statistics that also characterize data assimilation on convective scales. In this work we explore the use of the efficient particle filter (P.v. Leeuwen, 2011) for convective scale data assimilation application. The method is tested in idealized setting, on two stochastic models. The models were designed to reproduce some of the properties of convection, for example the rapid development and decay of convective clouds. The first model is a simple one-dimensional, discrete state birth-death model of clouds (Craig and Würsch, 2012). For this model, the efficient particle filter that includes nudging the variables shows significant improvement compared to Ensemble Kalman Filter and Sequential Importance Resampling (SIR) particle filter. The success of the combination of nudging and resampling, measured as RMS error with respect to the 'true state', is proportional to the nudging intensity. Significantly, even a very weak nudging intensity brings notable improvement over SIR. The second model is a modified version of a stochastic shallow water model (Würsch and Craig 2013), which contains more realistic dynamical characteristics of convective scale phenomena. Using the efficient particle filter and different combination of observations of the three field variables (wind, water 'height' and rain) allows the particle filter to be evaluated in comparison to a regime where only nudging is used. Sensitivity to the properties of the model error covariance is also considered. Finally, criteria are identified under which the efficient particle filter outperforms nudging alone. References: Craig, G. C. and M. Würsch, 2012: The impact of localization and observation averaging for convective-scale data assimilation in a simple stochastic model. Q. J. R. Meteorol. Soc.,139, 515-523. Van Leeuwen, P. J., 2011: Efficient non-linear data assimilation in geophysical fluid dynamics. - Computers and Fluids, doi:10,1016/j.compfluid.2010.11.011, 1096 2011. Würsch, M. and G. C. Craig, 2013: A simple dynamical model of cumulus convection for data assimilation research, submitted to Met. Zeitschrift.

Localized Models of Charged Particle Motion in Martian Crustal Magnetic Cusps

NASA Astrophysics Data System (ADS)

Brain, D. A.; Poppe, A. R.; Jarvinen, R.; Dong, Y.; Egan, H. L.; Fang, X.

2017-12-01

The induced magnetosphere of Mars is punctuated by localized but strong crustal magnetic fields that are observed to play host to a variety of phenomena typically associated with global magnetic fields, such as auroral processes and particle precipitation, field-aligned current systems, and ion outflow. Each of these phenomena occur on the night side, in small-scale magnetic `cusp' regions of vertically aligned field. Cusp regions are not yet capable of being spatially resolved in global scale models that include the ion kinetics necessary for simulating charged particle transport along cusps. Local models are therefore necessary if we are to understand how cusp processes operate at Mars. Here we present the first results of an effort to model the kinetic particle motion and electric fields in Martian cusps. We are adapting both a 1.5D Particle-in-Cell (PIC) model for lunar magnetic cusps regions to the Martian case and a hybrid model framework (used previously for the global Martian plasma interaction and for lunar magnetic anomaly regions) to cusps in 2D. By comparing the models we can asses the importance of electron kinetics in particle transport along cusp field lines. In this first stage of our study we model a moderately strong nightside cusp, with incident hot hydrogen plasma from above, and cold planetary (oxygen) plasma entering the simulation from below. We report on the spatial and temporal distribution of plasma along cusp field lines for this initial case.

A Modification and Analysis of Lagrangian Trajectory Modeling and Granular Dynamics of Lunar Dust Particles

NASA Technical Reports Server (NTRS)

Long, Jason M.; Lane, John E.; Metzger, Philip T.

2008-01-01

A previously developed mathematical model is amended to more accurately incorporate the effects of lift and drag on single dust particles in order to predict their behavior in the wake of high velocity gas flow. The model utilizes output from a CFD or DSMC simulation of exhaust from a rocket nozzle hot gas jet. An extension of the Saffman equation for lift based on the research of McLaughlin (1991) and Mei (1992) is used, while an equation for the Magnus force modeled after the work of Oesterle (1994) and Tsuji et al (1985) is applied. A relationship for drag utilizing a particle shape factor (phi = 0.8) is taken from the work of Haider and Levenspiel (1989) for application to non-spherical particle dynamics. The drag equation is further adjusted to account for rarefaction and compressibility effects in rarefied and high Mach number flows according to the work of Davies (1945) and Loth (2007) respectively. Simulations using a more accurate model with the correction factor (Epsilon = 0.8 in a 20% particle concentration gas flow) given by Richardson and Zaki (1954) and Rowe (1961) show that particles have lower ejection angles than those that were previously calculated. This is more prevalent in smaller particles, which are shown through velocity and trajectory comparison to be more influenced by the flow of the surrounding gas. It is shown that particles are more affected by minor changes to drag forces than larger adjustments to lift forces, demanding a closer analysis of the shape and behavior of lunar dust particles and the composition of the surrounding gas flow.

Size-dependent fluorescence of bioaerosols: Mathematical model using fluorescing and absorbing molecules in bacteria

DOE PAGES

Hill, Steven C.; Williamson, Chatt C.; Doughty, David C.; ...

2015-02-02

This paper uses a mathematical model of fluorescent biological particles composed of bacteria and/or proteins (mostly as in Hill et al., 2013 [23]) to investigate the size-dependence of the total fluorescence emitted in all directions. The model applies to particles which have negligible reabsorption of fluorescence within the particle. The specific particles modeled here are composed of ovalbumin and of a generic Bacillus. The particles need not be spherical, and in some cases need not be homogeneous. However, the results calculated in this paper are for spherical homogeneous particles. Light absorbing and fluorescing molecules included in the model are aminomore » acids, nucleic acids, and several coenzymes. Here the excitation wavelength is 266 nm. The emission range, 300 to 370 nm, encompasses the fluorescence of tryptophan. The fluorescence cross section (C F) is calculated and compared with one set of published measured values. We investigate power law (Ad y) approximations to C F, where d is diameter, and A and y are parameters adjusted to fit the data, and examine how y varies with d and composition, including the fraction as water. The particle's fluorescence efficiency (Q F=C F/geometric-cross-section) can be written for homogeneous particles as Q absR F, where Q abs is the absorption efficiency, and R F, the fraction of the absorbed light emitted as fluorescence, is independent of size and shape. When Q F is plotted vs. m id or mi(m r-1)d, where m=m r+im i is the complex refractive index, the plots for different fractions of water in the particle tend to overlap.« less

Numerical Study of Suspension HVOF Spray and Particle Behavior Near Flat and Cylindrical Substrates

NASA Astrophysics Data System (ADS)

Jadidi, M.; Yeganeh, A. Zabihi; Dolatabadi, A.

2018-01-01

In thermal spray processes, it is demonstrated that substrate shape and location have significant effects on particle in-flight behavior and coatings quality. In the present work, the suspension high-velocity oxygen fuel (HVOF) spraying process is modeled using a three-dimensional two-way coupled Eulerian-Lagrangian approach. Flat and cylindrical substrates are placed at different standoff distances, and particles characteristics near the substrates and upon impact are studied. Suspension is a mixture of ethanol, ethylene glycol, and mullite solid powder (3Al2O3·2SiO2) in this study. Suspension droplets with predefined size distribution are injected into the combustion chamber, and the droplet breakup phenomenon is simulated using Taylor analogy breakup model. Furthermore, the eddy dissipation model is used to model the premixed combustion of oxygen-propylene, and non-premixed combustion of oxygen-ethanol and oxygen-ethylene glycol. To simulate the gas phase turbulence, the realizable k-ɛ model is applied. In addition, as soon as the breakup and combustion phenomena are completed, the solid/molten mullite particles are tracked through the domain. It is shown that as the standoff distance increases the particle temperature and velocity decrease and the particle trajectory deviation becomes more significant. The effect of stagnation region on the particle velocity and temperature is also discussed in detail. The catch rate, which is defined as the ratio of the mass of landed particles to injected particles, is calculated for different substrate shapes and standoff distances in this study. The numerical results presented here is consistent with the experimental data in the literature for the same operating conditions.

The Microwave Radiative Properties of Falling Snow Derived from Nonspherical Ice Particle Models. Part II: Initial Testing Using Radar, Radiometer and In Situ Observations

NASA Technical Reports Server (NTRS)

Olson, William S.; Tian, Lin; Grecu, Mircea; Kuo, Kwo-Sen; Johnson, Benjamin; Heymsfield, Andrew J.; Bansemer, Aaron; Heymsfield, Gerald M.; Wang, James R.; Meneghini, Robert

2016-01-01

In this study, two different particle models describing the structure and electromagnetic properties of snow are developed and evaluated for potential use in satellite combined radar-radiometer precipitation estimation algorithms. In the first model, snow particles are assumed to be homogeneous ice-air spheres with single-scattering properties derived from Mie theory. In the second model, snow particles are created by simulating the self-collection of pristine ice crystals into aggregate particles of different sizes, using different numbers and habits of the collected component crystals. Single-scattering properties of the resulting nonspherical snow particles are determined using the discrete dipole approximation. The size-distribution-integrated scattering properties of the spherical and nonspherical snow particles are incorporated into a dual-wavelength radar profiling algorithm that is applied to 14- and 34-GHz observations of stratiform precipitation from the ER-2 aircraft-borne High-Altitude Imaging Wind and Rain Airborne Profiler (HIWRAP) radar. The retrieved ice precipitation profiles are then input to a forward radiative transfer calculation in an attempt to simulate coincident radiance observations from the Conical Scanning Millimeter-Wave Imaging Radiometer (CoSMIR). Much greater consistency between the simulated and observed CoSMIR radiances is obtained using estimated profiles that are based upon the nonspherical crystal/aggregate snow particle model. Despite this greater consistency, there remain some discrepancies between the higher moments of the HIWRAP-retrieved precipitation size distributions and in situ distributions derived from microphysics probe observations obtained from Citation aircraft underflights of the ER-2. These discrepancies can only be eliminated if a subset of lower-density crystal/aggregate snow particles is assumed in the radar algorithm and in the interpretation of the in situ data.

Modelling Solar Energetic Particle Propagation in Realistic Heliospheric Solar Wind Conditions Using a Combined MHD and Stochastic Differential Equation Approach

NASA Astrophysics Data System (ADS)

Wijsen, N.; Poedts, S.; Pomoell, J.

2017-12-01

Solar energetic particles (SEPs) are high energy particles originating from solar eruptive events. These particles can be energised at solar flare sites during magnetic reconnection events, or in shock waves propagating in front of coronal mass ejections (CMEs). These CME-driven shocks are in particular believed to act as powerful accelerators of charged particles throughout their propagation in the solar corona. After escaping from their acceleration site, SEPs propagate through the heliosphere and may eventually reach our planet where they can disrupt the microelectronics on satellites in orbit and endanger astronauts among other effects. Therefore it is of vital importance to understand and thereby build models capable of predicting the characteristics of SEP events. The propagation of SEPs in the heliosphere can be described by the time-dependent focused transport equation. This five-dimensional parabolic partial differential equation can be solved using e.g., a finite difference method or by integrating a set of corresponding first order stochastic differential equations. In this work we take the latter approach to model SEP events under different solar wind and scattering conditions. The background solar wind in which the energetic particles propagate is computed using a magnetohydrodynamic model. This allows us to study the influence of different realistic heliospheric configurations on SEP transport. In particular, in this study we focus on exploring the influence of high speed solar wind streams originating from coronal holes that are located close to the eruption source region on the resulting particle characteristics at Earth. Finally, we discuss our upcoming efforts towards integrating our particle propagation model with time-dependent heliospheric MHD space weather modelling.

Investigation of nucleation kinetics in H2SO4 vapor through modeling of gas phase kinetics coupled with particle dynamics

NASA Astrophysics Data System (ADS)

Carlsson, Philip T. M.; Zeuch, Thomas

2018-03-01

We have developed a new model utilizing our existing kinetic gas phase models to simulate experimental particle size distributions emerging in dry supersaturated H2SO4 vapor homogeneously produced by rapid oxidation of SO2 through stabilized Criegee-Intermediates from 2-butene ozonolysis. We use a sectional method for simulating the particle dynamics. The particle treatment in the model is based on first principles and takes into account the transition from the kinetic to the diffusion-limited regime. It captures the temporal evolution of size distributions at the end of the ozonolysis experiment well, noting a slight underrepresentation of coagulation effects for larger particle sizes. The model correctly predicts the shape and the modes of the experimentally observed particle size distributions. The predicted modes show an extremely high sensitivity to the H2SO4 evaporation rates of the initially formed H2SO4 clusters (dimer to pentamer), which were arbitrarily restricted to decrease exponentially with increasing cluster size. In future, the analysis presented in this work can be extended to allow a direct validation of quantum chemically predicted stabilities of small H2SO4 clusters, which are believed to initiate a significant fraction of atmospheric new particle formation events. We discuss the prospects and possible limitations of the here presented approach.

Particle-based simulations of self-motile suspensions

NASA Astrophysics Data System (ADS)

Hinz, Denis F.; Panchenko, Alexander; Kim, Tae-Yeon; Fried, Eliot

2015-11-01

A simple model for simulating flows of active suspensions is investigated. The approach is based on dissipative particle dynamics. While the model is potentially applicable to a wide range of self-propelled particle systems, the specific class of self-motile bacterial suspensions is considered as a modeling scenario. To mimic the rod-like geometry of a bacterium, two dissipative particle dynamics particles are connected by a stiff harmonic spring to form an aggregate dissipative particle dynamics molecule. Bacterial motility is modeled through a constant self-propulsion force applied along the axis of each such aggregate molecule. The model accounts for hydrodynamic interactions between self-propelled agents through the pairwise dissipative interactions conventional to dissipative particle dynamics. Numerical simulations are performed using a customized version of the open-source software package LAMMPS (Large-scale Atomic/Molecular Massively Parallel Simulator) software package. Detailed studies of the influence of agent concentration, pairwise dissipative interactions, and Stokes friction on the statistics of the system are provided. The simulations are used to explore the influence of hydrodynamic interactions in active suspensions. For high agent concentrations in combination with dominating pairwise dissipative forces, strongly correlated motion patterns and a fluid-like spectral distributions of kinetic energy are found. In contrast, systems dominated by Stokes friction exhibit weaker spatial correlations of the velocity field. These results indicate that hydrodynamic interactions may play an important role in the formation of spatially extended structures in active suspensions.

In Vitro Capture of Small Ferrous Particles with a Magnetic Filtration Device Designed for Intravascular Use with Intraarterial Chemotherapy: Proof-of-Concept Study

PubMed Central

Mabray, Marc C.; Lillaney, Prasheel; Sze, Chia-Hung; Losey, Aaron D.; Yang, Jeffrey; Kondapavulur, Sravani; Liu, Derek; Saeed, Maythem; Patel, Anand; Cooke, Daniel; Jun, Young-Wook; El-Sayed, Ivan; Wilson, Mark; Hetts, Steven W.

2015-01-01

Purpose To establish that a magnetic device designed for intravascular use can bind small iron particles in physiologic flow models. Materials and Methods Uncoated iron oxide particles 50–100 nm and 1–5 μm in size were tested in a water flow chamber over a period of 10 minutes without a magnet (ie, control) and with large and small prototype magnets. These same particles and 1-μm carboxylic acid–coated iron oxide beads were likewise tested in a serum flow chamber model without a magnet (ie, control) and with the small prototype magnet. Results Particles were successfully captured from solution. Particle concentrations in solution decreased in all experiments (P < .05 vs matched control runs). At 10 minutes, concentrations were 98% (50–100-nm particles in water with a large magnet), 97% (50–100-nm particles in water with a small magnet), 99% (1–5-μm particles in water with a large magnet), 99% (1–5-μm particles in water with a small magnet), 95% (50–100-nm particles in serum with a small magnet), 92% (1–5-μm particles in serum with a small magnet), and 75% (1-μm coated beads in serum with a small magnet) lower compared with matched control runs. Conclusions This study demonstrates the concept of magnetic capture of small iron oxide particles in physiologic flow models by using a small wire-mounted magnetic filter designed for intravascular use. PMID:26706187

MODELING DEPOSITION OF INHALED PARTICLES

EPA Science Inventory

Modeling Deposition of Inhaled Particles: ABSTRACT

The mathematical modeling of the deposition and distribution of inhaled aerosols within human lungs is an invaluable tool in predicting both the health risks associated with inhaled environmental aerosols and the therapeut...

A simple dynamic subgrid-scale model for LES of particle-laden turbulence

NASA Astrophysics Data System (ADS)

Park, George Ilhwan; Bassenne, Maxime; Urzay, Javier; Moin, Parviz

2017-04-01

In this study, a dynamic model for large-eddy simulations is proposed in order to describe the motion of small inertial particles in turbulent flows. The model is simple, involves no significant computational overhead, contains no adjustable parameters, and is flexible enough to be deployed in any type of flow solvers and grids, including unstructured setups. The approach is based on the use of elliptic differential filters to model the subgrid-scale velocity. The only model parameter, which is related to the nominal filter width, is determined dynamically by imposing consistency constraints on the estimated subgrid energetics. The performance of the model is tested in large-eddy simulations of homogeneous-isotropic turbulence laden with particles, where improved agreement with direct numerical simulation results is observed in the dispersed-phase statistics, including particle acceleration, local carrier-phase velocity, and preferential-concentration metrics.

Minimal model linking two great mysteries: Neutrino mass and dark matter

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

Farzan, Yasaman

2009-10-01

We present an economic model that establishes a link between neutrino masses and properties of the dark matter candidate. The particle content of the model can be divided into two groups: light particles with masses lighter than the electroweak scale and heavy particles. The light particles, which also include the dark matter candidate, are predicted to show up in the low energy experiments such as (K{yields}l+missing energy), making the model testable. The heavy sector can show up at the LHC and may give rise to Br(l{sub i}{yields}l{sub j}{gamma}) close to the present bounds. In principle, the new couplings of themore » model can independently be derived from the data from the LHC and from the information on neutrino masses and lepton flavor violating rare decays, providing the possibility of an intensive cross-check of the model.« less

History of Particle Physics

Science.gov Websites

back to history page Back Particle Physics Timeline For over two thousand years people have thought the Standard Model. We invite you to explore this history of particle physics with a focus on the : Quantum Theory 1964 - Present: The Modern View (the Standard Model) back to history page Back Sections of

Let's Have a Coffee with the Standard Model of Particle Physics!

ERIC Educational Resources Information Center

Woithe, Julia; Wiener, Gerfried J.; Van der Veken, Frederik F.

2017-01-01

The Standard Model of particle physics is one of the most successful theories in physics and describes the fundamental interactions between elementary particles. It is encoded in a compact description, the so-called "Lagrangian," which even fits on t-shirts and coffee mugs. This mathematical formulation, however, is complex and only…

Charged Particle Environment Definition for NGST: Model Development

NASA Technical Reports Server (NTRS)

Blackwell, William C.; Minow, Joseph I.; Evans, Steven W.; Hardage, Donna M.; Suggs, Robert M.

2000-01-01

NGST will operate in a halo orbit about the L2 point, 1.5 million km from the Earth, where the spacecraft will periodically travel through the magnetotail region. There are a number of tools available to calculate the high energy, ionizing radiation particle environment from galactic cosmic rays and from solar disturbances. However, space environment tools are not generally available to provide assessments of charged particle environment and its variations in the solar wind, magnetosheath, and magnetotail at L2 distances. An engineering-level phenomenology code (LRAD) was therefore developed to facilitate the definition of charged particle environments in the vicinity of the L2 point in support of the NGST program. LRAD contains models tied to satellite measurement data of the solar wind and magnetotail regions. The model provides particle flux and fluence calculations necessary to predict spacecraft charging conditions and the degradation of materials used in the construction of NGST. This paper describes the LRAD environment models for the deep magnetotail (XGSE < -100 Re) and solar wind, and presents predictions of the charged particle environment for NGST.

Modeling the impact of sea-spray on particle concentrations in a coastal city.

PubMed

Pryor, S C; Barthelmie, R J; Schoof, J T; Binkowski, F S; Delle Monache, L; Stull, R

2008-02-25

With the worlds population becoming increasingly focused on coastal locations there is a need to better understand the interactions between anthropogenic emissions and marine atmospheres. Herein an atmospheric chemistry-transport model is used to assess the impacts of sea-spray chemistry on the particle composition in and downwind of a coastal city--Vancouver, British Columbia. It is shown that the model can reasonably represent the average features of the gas phase and particle climate relative to in situ measurements. It is further demonstrated that reactions in/on sea-spray affect the entire particle ensemble and particularly the size distribution of particle nitrate, but that the importance of these heterogeneous reactions is critically dependent on both the initial vertical profile of sea spray and the sea-spray source functions. The results emphasize the need for improved understanding of sea spray production and dispersion and further that model analyses of air quality in coastal cities conducted without inclusion of sea-spray interactions may yield mis-leading results in terms of emission sensitivities of particle composition and concentrations.

A stochastic model for photon noise induced by charged particles in multiplier phototubes of the space telescope fine guidance sensors

NASA Technical Reports Server (NTRS)

Howell, L. W.; Kennel, H. F.

1984-01-01

The Space Telescope (ST) is subjected to charged particle strikes in its space environment. ST's onboard fine guidance sensors utilize multiplier phototubes (PMT) for attitude determination. These tubes, when subjected to charged particle strikes, generate spurious photons in the form of Cerenkov radiation and fluorescence which give rise to unwanted disturbances in the pointing of the telescope. A stochastic model for the number of these spurious photons which strike the photocathode of the multiplier phototube which in turn produce the unwanted photon noise are presented. The model is applicable to both galactic cosmic rays and charged particles trapped in the Earth's radiation belts. The model which was programmed allows for easy adaption to a wide range of particles and different parameters for the phototube of the multiplier. The probability density functions for photons noise caused by protons, alpha particles, and carbon nuclei were using thousands of simulated strikes. These distributions are used as part of an overall ST dynamics simulation. The sensitivity of the density function to changes in the window parameters was also investigated.

Stochastic model for photon noise induced by charged particles in multiplier phototubes of the Hubble Space Telescope fine guidance sensors

NASA Technical Reports Server (NTRS)

Howell, L. W.; Kennel, H. F.

1986-01-01

The Space Telescope (ST) is subjected to charged particle strikes in its space environment. ST's onboard fine guidance sensors utilize multiplier phototubes (PMT) for attitude determination. These tubes, when subjected to charged particle strikes, generate spurious photons in the form of Cerenkov radiation and fluorescence which give rise to unwanted disturbances in the pointing of the telescope. A stochastic model for the number of these spurious photons which strike the photocathodes of the multiplier phototube which in turn produce the unwanted photon noise are presented. The model is applicable to both galactic cosmic rays and charged particles trapped in the earth's radiation belts. The model which was programmed allows for easy adaption to a wide range of particles and different parameters for the phototube of the multiplier. The probability density functions for photons noise caused by protons, alpha particles, and carbon nuclei were using thousands of simulated strikes. These distributions are used as part of an overall ST dynamics simulation. The sensitivity of the density function to changes in the window parameters was also investigated.

NIMROD Modeling of Sawtooth Modes Using Hot-Particle Closures

NASA Astrophysics Data System (ADS)

Kruger, Scott; Jenkins, T. G.; Held, E. D.; King, J. R.

2015-11-01

In DIII-D shot 96043, RF heating gives rise to an energetic ion population that alters the sawtooth stability boundary, replacing conventional sawtooth cycles by longer-period, larger-amplitude `giant sawtooth' oscillations. We explore the use of particle-in-cell closures within the NIMROD code to numerically represent the RF-induced hot-particle distribution, and investigate the role of this distribution in determining the altered mode onset threshold and subsequent nonlinear evolution. Equilibrium reconstructions from the experimental data are used to enable these detailed validation studies. Effects of other parameters on the sawtooth behavior, such as the plasma Lundquist number and hot-particle beta-fraction, are also considered. The fast energetic particles present many challenges for the PIC closure. We review new algorithm and performance improvements to address these challenges, and provide a preliminary assessment of the efficacy of the PIC closure versus a continuum model for energetic particle modeling. We also compare our results with those of, and discuss plans for a more complete validation campaign for this discharge. Supported by US Department of Energy via the SciDAC Center for Extended MHD Modeling (CEMM).

Evaluation of a coupled dispersion and aerosol process model against measurements near a major road

NASA Astrophysics Data System (ADS)

Pohjola, M. A.; Pirjola, L.; Karppinen, A.; Härkönen, J.; Ketzel, M.; Kukkonen, J.

2007-02-01

A field measurement campaign was conducted near a major road "Itäväylä" in an urban area in Helsinki in 17-20 February 2003. Aerosol measurements were conducted using a mobile laboratory "Sniffer" at various distances from the road, and at an urban background location. Measurements included particle size distribution in the size range of 7 nm-10 μm (aerodynamic diameter) by the Electrical Low Pressure Impactor (ELPI) and in the size range of 3-50 nm (mobility diameter) by Scanning Mobility Particle Sizer (SMPS), total number concentration of particles larger than 3 nm detected by an ultrafine condensation particle counter (UCPC), temperature, relative humidity, wind speed and direction, driving route of the mobile laboratory, and traffic density on the studied road. In this study, we have compared measured concentration data with the predictions of the road network dispersion model CAR-FMI used in combination with an aerosol process model MONO32. The vehicular exhaust emissions, and atmospheric dispersion and transformation of fine and ultrafine particles was evaluated within the distance scale of 200 m (corresponding to a time scale of a couple of minutes). We computed the temporal evolution of the number concentrations, size distributions and chemical compositions of various particle size classes. The atmospheric dilution rate of particles is obtained from the roadside dispersion model CAR-FMI. Considering the evolution of total number concentration, dilution was shown to be the most important process. The influence of coagulation and condensation on the number concentrations of particle size modes was found to be negligible at this distance scale. Condensation was found to affect the evolution of particle diameter in the two smallest particle modes. The assumed value of the concentration of condensable organic vapour of 1012 molecules cm-3 was shown to be in a disagreement with the measured particle size evolution, while the modelling runs with the concentration of condensable organic vapour of 109-1010 molecules cm-3 resulted in particle sizes that were closest to the measured values.

Three dimensional hair model by means particles using Blender

NASA Astrophysics Data System (ADS)

Alvarez-Cedillo, Jesús Antonio; Almanza-Nieto, Roberto; Herrera-Lozada, Juan Carlos

2010-09-01

The simulation and modeling of human hair is a process whose computational complexity is very large, this due to the large number of factors that must be calculated to give a realistic appearance. Generally, the method used in the film industry to simulate hair is based on particle handling graphics. In this paper we present a simple approximation of how to model human hair using particles in Blender. [Figure not available: see fulltext.

Numerical modeling of a nonmonotonic separation hydrocyclone curve

NASA Astrophysics Data System (ADS)

Min'kov, L. L.; Dueck, J. H.

2012-11-01

In the context of the mechanics of interpenetrating continua, numerical modeling of separation of a polydisperse suspension in a hydrocyclone is carried out. The so-called "mixture model" valid for a low volume fraction of particles and low Stokes numbers is used for description of the suspension and particle motion. It is shown that account taken of the interaction between large and small particles can explain the nonmonotonic behavior of the separation curve.

Dissolution Rate, Weathering Mechanics, and Friability of TNT, Comp B, Tritonal, and Octol

DTIC Science & Technology

2010-02-01

second conceptual model also simulates dissolution of a particle that experiences constant soil moisture such as one mixed in with the soil...or are mediated by moisture on the particle surface is not yet known. The identities of these red products are also unknown as are their health...it using the outdoor data. The model assumes that raindrops intercepted by HE particles were fully saturated in HE as they dripped off. Particle

Development of a copula-based particle filter (CopPF) approach for hydrologic data assimilation under consideration of parameter interdependence

NASA Astrophysics Data System (ADS)

Fan, Y. R.; Huang, G. H.; Baetz, B. W.; Li, Y. P.; Huang, K.

2017-06-01

In this study, a copula-based particle filter (CopPF) approach was developed for sequential hydrological data assimilation by considering parameter correlation structures. In CopPF, multivariate copulas are proposed to reflect parameter interdependence before the resampling procedure with new particles then being sampled from the obtained copulas. Such a process can overcome both particle degeneration and sample impoverishment. The applicability of CopPF is illustrated with three case studies using a two-parameter simplified model and two conceptual hydrologic models. The results for the simplified model indicate that model parameters are highly correlated in the data assimilation process, suggesting a demand for full description of their dependence structure. Synthetic experiments on hydrologic data assimilation indicate that CopPF can rejuvenate particle evolution in large spaces and thus achieve good performances with low sample size scenarios. The applicability of CopPF is further illustrated through two real-case studies. It is shown that, compared with traditional particle filter (PF) and particle Markov chain Monte Carlo (PMCMC) approaches, the proposed method can provide more accurate results for both deterministic and probabilistic prediction with a sample size of 100. Furthermore, the sample size would not significantly influence the performance of CopPF. Also, the copula resampling approach dominates parameter evolution in CopPF, with more than 50% of particles sampled by copulas in most sample size scenarios.

A 3D particle Monte Carlo approach to studying nucleation

NASA Astrophysics Data System (ADS)

Köhn, Christoph; Enghoff, Martin Bødker; Svensmark, Henrik

2018-06-01

The nucleation of sulphuric acid molecules plays a key role in the formation of aerosols. We here present a three dimensional particle Monte Carlo model to study the growth of sulphuric acid clusters as well as its dependence on the ambient temperature and the initial particle density. We initiate a swarm of sulphuric acid-water clusters with a size of 0.329 nm with densities between 107 and 108 cm-3 at temperatures between 200 and 300 K and a relative humidity of 50%. After every time step, we update the position of particles as a function of size-dependent diffusion coefficients. If two particles encounter, we merge them and add their volumes and masses. Inversely, we check after every time step whether a polymer evaporates liberating a molecule. We present the spatial distribution as well as the size distribution calculated from individual clusters. We also calculate the nucleation rate of clusters with a radius of 0.85 nm as a function of time, initial particle density and temperature. The nucleation rates obtained from the presented model agree well with experimentally obtained values and those of a numerical model which serves as a benchmark of our code. In contrast to previous nucleation models, we here present for the first time a code capable of tracing individual particles and thus of capturing the physics related to the discrete nature of particles.

Modeling of Particle Acceleration at Multiple Shocks Via Diffusive Shock Acceleration: Preliminary Results

NASA Astrophysics Data System (ADS)

Parker, L. N.; Zank, G. P.

2013-12-01

Successful forecasting of energetic particle events in space weather models require algorithms for correctly predicting the spectrum of ions accelerated from a background population of charged particles. We present preliminary results from a model that diffusively accelerates particles at multiple shocks. Our basic approach is related to box models (Protheroe and Stanev, 1998; Moraal and Axford, 1983; Ball and Kirk, 1992; Drury et al., 1999) in which a distribution of particles is diffusively accelerated inside the box while simultaneously experiencing decompression through adiabatic expansion and losses from the convection and diffusion of particles outside the box (Melrose and Pope, 1993; Zank et al., 2000). We adiabatically decompress the accelerated particle distribution between each shock by either the method explored in Melrose and Pope (1993) and Pope and Melrose (1994) or by the approach set forth in Zank et al. (2000) where we solve the transport equation by a method analogous to operator splitting. The second method incorporates the additional loss terms of convection and diffusion and allows for the use of a variable time between shocks. We use a maximum injection energy (Emax) appropriate for quasi-parallel and quasi-perpendicular shocks (Zank et al., 2000, 2006; Dosch and Shalchi, 2010) and provide a preliminary application of the diffusive acceleration of particles by multiple shocks with frequencies appropriate for solar maximum (i.e., a non-Markovian process).

Effect of plasma spray processing variations on particle melting and splat spreading of hydroxylapatite and alumina

NASA Astrophysics Data System (ADS)

Yankee, S. J.; Pletka, B. J.

1993-09-01

Splats of hydroxylapatite (HA) and alumina were obtained via plasma spraying using systematically varied combinations of plasma velocity and temperature, which were achieved by altering the primary plasma gas flow rate and plasma gas composition. Particle size was also varied in the case of alumina. Splat spreading was quantified via computer- aided image analysis as a function of processing variations. A comparison of the predicted splat dimensions from a model developed by Madejski with experimental observations of HA and alumina splats was performed. The model tended to underestimate the HA splat sizes, suggesting that evaporation of smaller particles occurred under the chosen experimental conditions, and to overestimate the observed alumina splat dimensions. Based on this latter result and on the surface appearance of the substrates, incomplete melting appeared to take place in all but the smaller alumina particles. Analysis of the spreading data as a function of the processing variations indicated that the particle size as well as the plasma temperature and velocity influenced the extent of particle melting. Based on these data and other considerations, a physical model was developed that described the degree of particle melting in terms of material and processing parameters. The physical model correctly predicted the relative splat spreading behavior of HA and alumina, assuming that spreading was directly linked to the extent of particle melting.

A mesoscopic bridging scale method for fluids and coupling dissipative particle dynamics with continuum finite element method

PubMed Central

Kojic, Milos; Filipovic, Nenad; Tsuda, Akira

2012-01-01

A multiscale procedure to couple a mesoscale discrete particle model and a macroscale continuum model of incompressible fluid flow is proposed in this study. We call this procedure the mesoscopic bridging scale (MBS) method since it is developed on the basis of the bridging scale method for coupling molecular dynamics and finite element models [G.J. Wagner, W.K. Liu, Coupling of atomistic and continuum simulations using a bridging scale decomposition, J. Comput. Phys. 190 (2003) 249–274]. We derive the governing equations of the MBS method and show that the differential equations of motion of the mesoscale discrete particle model and finite element (FE) model are only coupled through the force terms. Based on this coupling, we express the finite element equations which rely on the Navier–Stokes and continuity equations, in a way that the internal nodal FE forces are evaluated using viscous stresses from the mesoscale model. The dissipative particle dynamics (DPD) method for the discrete particle mesoscale model is employed. The entire fluid domain is divided into a local domain and a global domain. Fluid flow in the local domain is modeled with both DPD and FE method, while fluid flow in the global domain is modeled by the FE method only. The MBS method is suitable for modeling complex (colloidal) fluid flows, where continuum methods are sufficiently accurate only in the large fluid domain, while small, local regions of particular interest require detailed modeling by mesoscopic discrete particles. Solved examples – simple Poiseuille and driven cavity flows illustrate the applicability of the proposed MBS method. PMID:23814322

Particle-based membrane model for mesoscopic simulation of cellular dynamics

NASA Astrophysics Data System (ADS)

Sadeghi, Mohsen; Weikl, Thomas R.; Noé, Frank

2018-01-01

We present a simple and computationally efficient coarse-grained and solvent-free model for simulating lipid bilayer membranes. In order to be used in concert with particle-based reaction-diffusion simulations, the model is purely based on interacting and reacting particles, each representing a coarse patch of a lipid monolayer. Particle interactions include nearest-neighbor bond-stretching and angle-bending and are parameterized so as to reproduce the local membrane mechanics given by the Helfrich energy density over a range of relevant curvatures. In-plane fluidity is implemented with Monte Carlo bond-flipping moves. The physical accuracy of the model is verified by five tests: (i) Power spectrum analysis of equilibrium thermal undulations is used to verify that the particle-based representation correctly captures the dynamics predicted by the continuum model of fluid membranes. (ii) It is verified that the input bending stiffness, against which the potential parameters are optimized, is accurately recovered. (iii) Isothermal area compressibility modulus of the membrane is calculated and is shown to be tunable to reproduce available values for different lipid bilayers, independent of the bending rigidity. (iv) Simulation of two-dimensional shear flow under a gravity force is employed to measure the effective in-plane viscosity of the membrane model and show the possibility of modeling membranes with specified viscosities. (v) Interaction of the bilayer membrane with a spherical nanoparticle is modeled as a test case for large membrane deformations and budding involved in cellular processes such as endocytosis. The results are shown to coincide well with the predicted behavior of continuum models, and the membrane model successfully mimics the expected budding behavior. We expect our model to be of high practical usability for ultra coarse-grained molecular dynamics or particle-based reaction-diffusion simulations of biological systems.

The application of single particle hydrodynamics in continuum models of multiphase flow

NASA Technical Reports Server (NTRS)

Decker, Rand

1988-01-01

A review of the application of single particle hydrodynamics in models for the exchange of interphase momentum in continuum models of multiphase flow is presented. Considered are the equations of motion for a laminar, mechanical two phase flow. Inherent to this theory is a model for the interphase exchange of momentum due to drag between the dispersed particulate and continuous fluid phases. In addition, applications of two phase flow theory to de-mixing flows require the modeling of interphase momentum exchange due to lift forces. The applications of single particle analysis in deriving models for drag and lift are examined.

Quench field sensitivity of two-particle correlation in a Hubbard model

PubMed Central

Zhang, X. Z.; Lin, S.; Song, Z.

2016-01-01

Short-range interaction can give rise to particle pairing with a short-range correlation, which may be destroyed in the presence of an external field. We study the transition between correlated and uncorrelated particle states in the framework of one- dimensional Hubbard model driven by a field. We show that the long time-scale transfer rate from an initial correlated state to final uncorrelated particle states is sensitive to the quench field strength and exhibits a periodic behavior. This process involves an irreversible energy transfer from the field to particles, leading to a quantum electrothermal effect. PMID:27250080

Investigation of the evolution of atmospheric particles with integration of the stochastic particle-resolved model partmc-mosaic and atmospheric measurements

NASA Astrophysics Data System (ADS)

Tian, Jian

With the recently-developed particle-resolved model PartMC-MOSAIC, the mixing state and other physico-chemical properties of individual aerosol particles can be tracked as the particles undergo aerosol aging processes. However, existing PartMC-MOSAIC applications have mainly been based on idealized scenarios, and a link to real atmospheric measurement has not yet been established. In this thesis, we extend the capability of PartMC-MOSAIC and apply the model framework to three distinct scenarios with different environmental conditions to investigate the physical and chemical aging of aerosols in those environments. The first study is to investigate the evolution of particle mixing state and cloud condensation nuclei (CCN) activation properties in a ship plume. Comparisons of our results with observations from the QUANTIFY Study in 2007 in the English channel and the Gulf of Biscay showed that the model was able to reproduce the observed evolution of total number concentration and the vanishing of the nucleation mode consisting of sulfate particles. Further process analysis revealed that during the first hour after emission, dilution reduced the total number concentration by four orders of magnitude, while coagulation reduced it by an additional order of magnitude. Neglecting coagulation resulted in an overprediction of more than one order of magnitude in the number concentration of particles smaller than 40 nm at a plume age of 100 s. Coagulation also significantly altered the mixing state of the particles, leading to a continuum of internal mixtures of sulfate and black carbon. The impact of condensation on CCN concentrations depended on the supersaturation threshold at which CCN activity was evaluated. Nucleation was observed to have a limited impact on the CCN concentration in the ship plume we studied, but was sensitive to formation rates of secondary aerosol. For the second study we adapted PartMC to represent the aerosol evolution in an aerosol chamber, with the intention to use the model as a tool to interpret and guide chamber experiments in the future. We added chamber-specific processes to our model formulation such as wall loss due to particle diffusion and sedimentation, and dilution effects due to sampling. We also implemented a treatment of fractal particles to account for the morphology of agglomerates and its impact on aerosol dynamics. We verified the model with published results of self-similar size distributions, and validated the model using experimental data from an aerosol chamber. To this end we developed a fitting optimization approach to determine the best-estimate values for the wall loss parameters based on minimizing the l2-norm of the model errors of the number distribution. Obtaining the best fit required taking into account the non-spherical structure of the particle agglomerates. Our third study focuses on the implementation of volatility basis set (VBS) framework in PartMC-MOSAIC to investigate the chemical aging of organic aerosols in the atmosphere. The updated PartMC-MOSAIC model framework was used to simulate the evolution of aerosols in air trajectories initialized from CARES field campaign conducted in California in June 2010. The simulation results were compared with aircraft measurement data during the campaign. PartMC-MOSAIC was able to produce gas and aerosol concentrations at similar levels compared to the observation data. Moreover, the simulation with VBS enabled produced consistently more secondary organic aerosols (SOA). The investigation of particle mixing state revealed that the impact of VBS framework on particle mixing state is sensitive to the daylight exposure time. (Abstract shortened by ProQuest.).

Towards reproducible experimental studies for non-convex polyhedral shaped particles

NASA Astrophysics Data System (ADS)

Wilke, Daniel N.; Pizette, Patrick; Govender, Nicolin; Abriak, Nor-Edine

2017-06-01

The packing density and flat bottomed hopper discharge of non-convex polyhedral particles are investigated in a systematic experimental study. The motivation for this study is two-fold. Firstly, to establish an approach to deliver quality experimental particle packing data for non-convex polyhedral particles that can be used for characterization and validation purposes of discrete element codes. Secondly, to make the reproducibility of experimental setups as convenient and readily available as possible using affordable and accessible technology. The primary technology for this study is fused deposition modeling used to 3D print polylactic acid (PLA) particles using readily available 3D printer technology. A total of 8000 biodegradable particles were printed, 1000 white particles and 1000 black particles for each of the four particle types considered in this study. Reproducibility is one benefit of using fused deposition modeling to print particles, but an extremely important additional benefit is that specific particle properties can be explicitly controlled. As an example in this study the volume fraction of each particle can be controlled i.e. the effective particle density can be adjusted. In this study the particle volumes reduces drastically as the non-convexity is increased, however all printed white particles in this study have the same mass within 2% of each other.

An atomistically informed mesoscale model for growth and coarsening during discharge in lithium-oxygen batteries

DOE PAGES

Welland, Michael J.; Lau, Kah Chun; Redfern, Paul C.; ...

2015-12-10

An atomistically informed mesoscale model is developed for the deposition of a discharge product in a Li-O 2 battery. This mescocale model includes particle growth and coarsening as well as a simplified nucleation model. The model involves LiO 2 formation through reaction of O 2 - and Li + in the electrolyte, which deposits on the cathode surface when the LiO 2 concentration reaches supersaturation in the electrolyte. A reaction-diffusion (rate-equation) model is used to describe the processes occurring in the electrolyte and a phase-field model is used to capture microstructural evolution. This model predicts that coarsening, in which largemore » particles grow and small ones disappear, has a substantial effect on the size distribution of the LiO 2 particles during the discharge process. The size evolution during discharge is the result of the interplay between this coarsening process and particle growth. The growth through continued deposition of LiO 2 has the effect of causing large particles to grow ever faster while delaying the dissolution of small particles. The predicted size evolution is consistent with experimental results for a previously reported cathode material based on activated carbon during discharge and when it is at rest, although kinetic factors need to be included. Finally, the approach described in this paper synergistically combines models on different length scales with experimental observations and should have applications in studying other related discharge processes, such as Li 2O 2 deposition, in Li-O 2 batteries and nucleation and growth in Li-S batteries.« less

Dissolution Kinetics of Spheroidal-Shaped Precipitates in Age-Hardenable Aluminum Alloys

NASA Astrophysics Data System (ADS)

Anjabin, Nozar; Salehi, Majid Seyed

2018-05-01

As a first attempt, a mathematical model is proposed to predict the dissolution kinetics of non-spherical secondary phase precipitates during solution heat treatment of age-hardenable aluminum alloys. The model uses general spheroidal geometry to describe the dissolution process of the alloys containing needle/disc-shaped particles with different size distributions in a finite matrix. It is found that as the aspect ratio deviates from unity, the dissolution rate is accelerated. Also, the dissolution rate of the particles in the alloy containing the particle size distribution is lower than that of mono-sized particles system. The modeling results for dissolution of θ' precipitates in an Al-Cu alloy are compared with experiments, and a good agreement was found between the modeling and the experimental results. The proposed model can be applied to different isothermal and non-isothermal annealing conditions.

Particle Interactions Mediated by Dynamical Networks: Assessment of Macroscopic Descriptions

NASA Astrophysics Data System (ADS)

Barré, J.; Carrillo, J. A.; Degond, P.; Peurichard, D.; Zatorska, E.

2018-02-01

We provide a numerical study of the macroscopic model of Barré et al. (Multiscale Model Simul, 2017, to appear) derived from an agent-based model for a system of particles interacting through a dynamical network of links. Assuming that the network remodeling process is very fast, the macroscopic model takes the form of a single aggregation-diffusion equation for the density of particles. The theoretical study of the macroscopic model gives precise criteria for the phase transitions of the steady states, and in the one-dimensional case, we show numerically that the stationary solutions of the microscopic model undergo the same phase transitions and bifurcation types as the macroscopic model. In the two-dimensional case, we show that the numerical simulations of the macroscopic model are in excellent agreement with the predicted theoretical values. This study provides a partial validation of the formal derivation of the macroscopic model from a microscopic formulation and shows that the former is a consistent approximation of an underlying particle dynamics, making it a powerful tool for the modeling of dynamical networks at a large scale.

Particle Interactions Mediated by Dynamical Networks: Assessment of Macroscopic Descriptions.

PubMed

Barré, J; Carrillo, J A; Degond, P; Peurichard, D; Zatorska, E

2018-01-01

We provide a numerical study of the macroscopic model of Barré et al. (Multiscale Model Simul, 2017, to appear) derived from an agent-based model for a system of particles interacting through a dynamical network of links. Assuming that the network remodeling process is very fast, the macroscopic model takes the form of a single aggregation-diffusion equation for the density of particles. The theoretical study of the macroscopic model gives precise criteria for the phase transitions of the steady states, and in the one-dimensional case, we show numerically that the stationary solutions of the microscopic model undergo the same phase transitions and bifurcation types as the macroscopic model. In the two-dimensional case, we show that the numerical simulations of the macroscopic model are in excellent agreement with the predicted theoretical values. This study provides a partial validation of the formal derivation of the macroscopic model from a microscopic formulation and shows that the former is a consistent approximation of an underlying particle dynamics, making it a powerful tool for the modeling of dynamical networks at a large scale.

Quasilinear Line Broadened Model for Energetic Particle Transport

NASA Astrophysics Data System (ADS)

Ghantous, Katy; Gorelenkov, Nikolai; Berk, Herbert

2011-10-01

We present a self-consistent quasi-linear model that describes wave-particle interaction in toroidal geometry and computes fast ion transport during TAE mode evolution. The model bridges the gap between single mode resonances, where it predicts the analytically expected saturation levels, and the case of multiple modes overlapping, where particles diffuse across phase space. Results are presented in the large aspect ratio limit where analytic expressions are used for Fourier harmonics of the power exchange between waves and particles, . Implemention of a more realistic mode structure calculated by NOVAK code are also presented. This work is funded by DOE contract DE-AC02-09CH11466.

Flavour-changing neutral currents making and breaking the standard model.

PubMed

Archilli, F; Bettler, M-O; Owen, P; Petridis, K A

2017-06-07

The standard model of particle physics is our best description yet of fundamental particles and their interactions, but it is known to be incomplete. As yet undiscovered particles and interactions might exist. One of the most powerful ways to search for new particles is by studying processes known as flavour-changing neutral current decays, whereby a quark changes its flavour without altering its electric charge. One example of such a transition is the decay of a beauty quark into a strange quark. Here we review some intriguing anomalies in these decays, which have revealed potential cracks in the standard model-hinting at the existence of new phenomena.

Numerical modeling of pollutant transport using a Lagrangian marker particle technique

NASA Technical Reports Server (NTRS)

Spaulding, M.

1976-01-01

A derivation and code were developed for the three-dimensional mass transport equation, using a particle-in-cell solution technique, to solve coastal zone waste discharge problems where particles are a major component of the waste. Improvements in the particle movement techniques are suggested and typical examples illustrated. Preliminary model comparisons with analytic solutions for an instantaneous point release in a uniform flow show good results in resolving the waste motion. The findings to date indicate that this computational model will provide a useful technique to study the motion of sediment, dredged spoils, and other particulate waste commonly deposited in coastal waters.

Turbulent Combustion in SDF Explosions

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

Kuhl, A L; Bell, J B; Beckner, V E

2009-11-12

A heterogeneous continuum model is proposed to describe the dispersion and combustion of an aluminum particle cloud in an explosion. It combines the gas-dynamic conservation laws for the gas phase with a continuum model for the dispersed phase, as formulated by Nigmatulin. Inter-phase mass, momentum and energy exchange are prescribed by phenomenological models. It incorporates a combustion model based on the mass conservation laws for fuel, air and products; source/sink terms are treated in the fast-chemistry limit appropriate for such gasdynamic fields, along with a model for mass transfer from the particle phase to the gas. The model takes intomore » account both the afterburning of the detonation products of the C-4 booster with air, and the combustion of the Al particles with air. The model equations were integrated by high-order Godunov schemes for both the gas and particle phases. Numerical simulations of the explosion fields from 1.5-g Shock-Dispersed-Fuel (SDF) charge in a 6.6 liter calorimeter were used to validate the combustion model. Then the model was applied to 10-kg Al-SDF explosions in a an unconfined height-of-burst explosion. Computed pressure histories are compared with measured waveforms. Differences are caused by physical-chemical kinetic effects of particle combustion which induce ignition delays in the initial reactive blast wave and quenching of reactions at late times. Current simulations give initial insights into such modeling issues.« less

Gravel-Sand-Clay Mixture Model for Predictions of Permeability and Velocity of Unconsolidated Sediments

NASA Astrophysics Data System (ADS)

Konishi, C.

2014-12-01

Gravel-sand-clay mixture model is proposed particularly for unconsolidated sediments to predict permeability and velocity from volume fractions of the three components (i.e. gravel, sand, and clay). A well-known sand-clay mixture model or bimodal mixture model treats clay contents as volume fraction of the small particle and the rest of the volume is considered as that of the large particle. This simple approach has been commonly accepted and has validated by many studies before. However, a collection of laboratory measurements of permeability and grain size distribution for unconsolidated samples show an impact of presence of another large particle; i.e. only a few percent of gravel particles increases the permeability of the sample significantly. This observation cannot be explained by the bimodal mixture model and it suggests the necessity of considering the gravel-sand-clay mixture model. In the proposed model, I consider the three volume fractions of each component instead of using only the clay contents. Sand becomes either larger or smaller particles in the three component mixture model, whereas it is always the large particle in the bimodal mixture model. The total porosity of the two cases, one is the case that the sand is smaller particle and the other is the case that the sand is larger particle, can be modeled independently from sand volume fraction by the same fashion in the bimodal model. However, the two cases can co-exist in one sample; thus, the total porosity of the mixed sample is calculated by weighted average of the two cases by the volume fractions of gravel and clay. The effective porosity is distinguished from the total porosity assuming that the porosity associated with clay is zero effective porosity. In addition, effective grain size can be computed from the volume fractions and representative grain sizes for each component. Using the effective porosity and the effective grain size, the permeability is predicted by Kozeny-Carman equation. Furthermore, elastic properties are obtainable by general Hashin-Shtrikman-Walpole bounds. The predicted results by this new mixture model are qualitatively consistent with laboratory measurements and well log obtained for unconsolidated sediments. Acknowledgement: A part of this study was accomplished with a subsidy of River Environment Fund of Japan.

Convergence of the Bouguer-Beer law for radiation extinction in particulate media

NASA Astrophysics Data System (ADS)

Frankel, A.; Iaccarino, G.; Mani, A.

2016-10-01

Radiation transport in particulate media is a common physical phenomenon in natural and industrial processes. Developing predictive models of these processes requires a detailed model of the interaction between the radiation and the particles. Resolving the interaction between the radiation and the individual particles in a very large system is impractical, whereas continuum-based representations of the particle field lend themselves to efficient numerical techniques based on the solution of the radiative transfer equation. We investigate radiation transport through discrete and continuum-based representations of a particle field. Exact solutions for radiation extinction are developed using a Monte Carlo model in different particle distributions. The particle distributions are then projected onto a concentration field with varying grid sizes, and the Bouguer-Beer law is applied by marching across the grid. We show that the continuum-based solution approaches the Monte Carlo solution under grid refinement, but quickly diverges as the grid size approaches the particle diameter. This divergence is attributed to the homogenization error of an individual particle across a whole grid cell. We remark that the concentration energy spectrum of a point-particle field does not approach zero, and thus the concentration variance must also diverge under infinite grid refinement, meaning that no grid-converged solution of the radiation transport is possible.

Stochastic dynamics of coupled active particles in an overdamped limit

NASA Astrophysics Data System (ADS)

Ann, Minjung; Lee, Kong-Ju-Bock; Park, Pyeong Jun

2015-10-01

We introduce a model for Brownian dynamics of coupled active particles in an overdamped limit. Our system consists of several identical active particles and one passive particle. Each active particle is elastically coupled to the passive particle and there is no direct coupling among the active particles. We investigate the dynamics of the system with respect to the number of active particles, viscous friction, and coupling between the active and passive particles. For this purpose, we consider an intracellular transport process as an application of our model and perform a Brownian dynamics simulation using realistic parameters for processive molecular motors such as kinesin-1. We determine an adequate energy conversion function for molecular motors and study the dynamics of intracellular transport by multiple motors. The results show that the average velocity of the coupled system is not affected by the number of active motors and that the stall force increases linearly as the number of motors increases. Our results are consistent with well-known experimental observations. We also examine the effects of coupling between the motors and the cargo, as well as of the spatial distribution of the motors around the cargo. Our model might provide a physical explanation of the cooperation among active motors in the cellular transport processes.