Mechanical reaction-diffusion model for bacterial population dynamics
Ngamsaad, Waipot
2015-01-01T23:59:59.000Z
The effect of mechanical interaction between cells on the spreading of bacterial population was investigated in one-dimensional space. A nonlinear reaction-diffusion equation has been formulated as a model for this dynamics. In this model, the bacterial cells are treated as the rod-like particles that interact, when contacting each other, through the hard-core repulsion. The repulsion introduces the exclusion process that causes the fast diffusion in bacterial population at high density. The propagation of the bacterial density as the traveling wave front in long time behavior has been analyzed. The analytical result reveals that the front speed is enhanced by the exclusion process---and its value depends on the packing fraction of cell. The numerical solutions of the model have been solved to confirm this prediction.
MULTISCALE MODELING OF DIFFUSION-INDUCED DEFORMATION PROCESSES
Ponce, V. Miguel
MULTISCALE MODELING OF DIFFUSION- INDUCED DEFORMATION PROCESSES Dr. Eugene Olevsky Friday, February 19, 2010 Engineering Bldg. Room E 300 Sintering is a high temperature process of bonding together of matter transport by different diffusion mechanisms driven by the high surface energy of aggregates
DIFFUSION MECHANISMS FOR MULTIMEDIA BROADCASTING IN MOBILE AD HOC NETWORKS
Paris-Sud XI, UniversitÃ© de
DIFFUSION MECHANISMS FOR MULTIMEDIA BROADCASTING IN MOBILE AD HOC NETWORKS E. Baccelli Hitachi HSAL: Philippe.Jacquet@inria.fr ABSTRACT Scarce bandwidth and interferences in mobile ad-hoc networks yield in view to gain enough performance and allow applications such as multimedia diffusion in an ad hoc
CONVERTIBLE BONDS IN A DEFAULTABLE DIFFUSION MODEL
Jeanblanc, Monique
CONVERTIBLE BONDS IN A DEFAULTABLE DIFFUSION MODEL Tomasz R. Bielecki Department of Applied Research Grant PS12918. #12;2 Convertible Bonds in a Defaultable Diffusion Model 1 Introduction In [4), such as Convertible Bonds (CB), and we provided a rigorous decomposition of a CB into a bond component and a (game
Forecasting Turbulent Modes with Nonparametric Diffusion Models
Tyrus Berry; John Harlim
2015-01-27T23:59:59.000Z
This paper presents a nonparametric diffusion modeling approach for forecasting partially observed noisy turbulent modes. The proposed forecast model uses a basis of smooth functions (constructed with the diffusion maps algorithm) to represent probability densities, so that the forecast model becomes a linear map in this basis. We estimate this linear map by exploiting a previously established rigorous connection between the discrete time shift map and the semi-group solution associated to the backward Kolmogorov equation. In order to smooth the noisy data, we apply diffusion maps to a delay embedding of the noisy data, which also helps to account for the interactions between the observed and unobserved modes. We show that this delay embedding biases the geometry of the data in a way which extracts the most predictable component of the dynamics. The resulting model approximates the semigroup solutions of the generator of the underlying dynamics in the limit of large data and in the observation noise limit. We will show numerical examples on a wide-range of well-studied turbulent modes, including the Fourier modes of the energy conserving Truncated Burgers-Hopf (TBH) model, the Lorenz-96 model in weakly chaotic to fully turbulent regimes, and the barotropic modes of a quasi-geostrophic model with baroclinic instabilities. In these examples, forecasting skills of the nonparametric diffusion model are compared to a wide-range of stochastic parametric modeling approaches, which account for the nonlinear interactions between the observed and unobserved modes with white and colored noises.
Modelling international wind energy diffusion: Are the patterns of induced diffusion `S'
Feigon, Brooke
Modelling international wind energy diffusion: Are the patterns of induced diffusion `S' shaped datasets, the paper explores the patterns of international wind energy diffusion in OECD countries. The model employed in the paper predicted that wind energy, as a complex and expensive innovation, would
Shell Model for Atomistic Simulation of Lithium Diffusion in...
Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)
Shell Model for Atomistic Simulation of Lithium Diffusion in Mixed MnTi Oxides. Shell Model for Atomistic Simulation of Lithium Diffusion in Mixed MnTi Oxides. Abstract: Mixed...
Lithium diffusion mechanisms in layered intercalation compounds A. Van der Ven*
Ceder, Gerbrand
Lithium diffusion mechanisms in layered intercalation compounds A. Van der Ven* , G. Ceder; accepted 28 December 2000 Abstract We investigate the mechanisms of lithium diffusion in layered intercalation compounds from ®rst-principles. We focus on LixCoO2 and ®nd that lithium diffusion
A diffuse interface model with immiscibility preservation
Tiwari, Arpit, E-mail: atiwari2@illinois.edu [Department of Mechanical Science and Engineering, University of Illinois at Urbana-Champaign, Urbana, IL 61801 (United States)] [Department of Mechanical Science and Engineering, University of Illinois at Urbana-Champaign, Urbana, IL 61801 (United States); Freund, Jonathan B., E-mail: jbfreund@illinois.edu [Department of Mechanical Science and Engineering, University of Illinois at Urbana-Champaign, Urbana, IL 61801 (United States); Department of Aerospace Engineering, University of Illinois at Urbana-Champaign, Urbana, IL 61801 (United States); Pantano, Carlos [Department of Mechanical Science and Engineering, University of Illinois at Urbana-Champaign, Urbana, IL 61801 (United States)] [Department of Mechanical Science and Engineering, University of Illinois at Urbana-Champaign, Urbana, IL 61801 (United States)
2013-11-01T23:59:59.000Z
A new, simple, and computationally efficient interface capturing scheme based on a diffuse interface approach is presented for simulation of compressible multiphase flows. Multi-fluid interfaces are represented using field variables (interface functions) with associated transport equations that are augmented, with respect to an established formulation, to enforce a selected interface thickness. The resulting interface region can be set just thick enough to be resolved by the underlying mesh and numerical method, yet thin enough to provide an efficient model for dynamics of well-resolved scales. A key advance in the present method is that the interface regularization is asymptotically compatible with the thermodynamic mixture laws of the mixture model upon which it is constructed. It incorporates first-order pressure and velocity non-equilibrium effects while preserving interface conditions for equilibrium flows, even within the thin diffused mixture region. We first quantify the improved convergence of this formulation in some widely used one-dimensional configurations, then show that it enables fundamentally better simulations of bubble dynamics. Demonstrations include both a spherical-bubble collapse, which is shown to maintain excellent symmetry despite the Cartesian mesh, and a jetting bubble collapse adjacent a wall. Comparisons show that without the new formulation the jet is suppressed by numerical diffusion leading to qualitatively incorrect results.
Distributed Wind Diffusion Model Overview (Presentation)
Preus, R.; Drury, E.; Sigrin, B.; Gleason, M.
2014-07-01T23:59:59.000Z
Distributed wind market demand is driven by current and future wind price and performance, along with several non-price market factors like financing terms, retail electricity rates and rate structures, future wind incentives, and others. We developed a new distributed wind technology diffusion model for the contiguous United States that combines hourly wind speed data at 200m resolution with high resolution electricity load data for various consumer segments (e.g., residential, commercial, industrial), electricity rates and rate structures for utility service territories, incentive data, and high resolution tree cover. The model first calculates the economics of distributed wind at high spatial resolution for each market segment, and then uses a Bass diffusion framework to estimate the evolution of market demand over time. The model provides a fundamental new tool for characterizing how distributed wind market potential could be impacted by a range of future conditions, such as electricity price escalations, improvements in wind generator performance and installed cost, and new financing structures. This paper describes model methodology and presents sample results for distributed wind market potential in the contiguous U.S. through 2050.
Modeling gas displacement kinetics in coal with Maxwell-Stefan diffusion theory
Wei, X.R.; Wang, G.X.; Massarotto, P.; Rudolph, V.; Golding, S.D. [University of Queensland, Brisbane, Qld. (Australia). Division of Chemical Engineering
2007-12-15T23:59:59.000Z
The kinetics of binary gas counter-diffusion and Darcy flow in a large coal sample were modeled, and the results compared with data from experimental laboratory investigations. The study aimed for a better understanding of the CO{sub 2}-sequestration enhanced coalbed methane (ECBM) recovery process. The transport model used was based on the bidisperse diffusion mechanism and Maxwell-Stefan (MS) diffusion theory. This provides an alternative approach to simulate multicomponent gas diffusion and flow in bulk coals. A series of high-stress core flush tests were performed on a large coal sample sourced from a Bowen Basin coal mine in Queensland, Australia to investigate the kinetics of one gas displacing another. These experimental results were used to derive gas diffusivities, and to examine the predictive capability of the diffusion model. The simulations show good agreements with the displacement experiments revealing that MS diffusion theory is superior for describing diffusion of mixed gases in coals compared with the constant Fick diffusivity model. The optimized effective micropore and macropore diffusivities are comparable with experimental measurements achieved by other researchers.
Diffusion Bonding Aluminium Alloys and Composites: New Approaches and Modelling
Cambridge, University of
Diffusion Bonding Aluminium Alloys and Composites: New Approaches and Modelling Amir A. Shirzadi of the research, two new methods for TLP diffusion bonding of aluminium-based composites (aluminium alloys diffusion bonding and hot isostatic pressing without encapsulation. It allows the fabrication of intricate
Beta Advection-Diffusion Model Columbia Basin Research
Washington at Seattle, University of
Beta Advection-Diffusion Model Jim Norris Columbia Basin Research University of Washington Box Model (SSM) is loosely called a Beta Advection-Diffusion model. The SSM estimates a single parameter this single parameter characterized fish migration. The purpose of this note is to define the Beta Advection
Stippling the skin: Generation of anatomical periodicity by reaction-diffusion mechanisms
Headon, Denis J.; Painter, Kevin J.
2009-01-01T23:59:59.000Z
and ultimately generates an appropriately proportioned anatomy. Here we place reaction-diffusion mechanisms in the context of general concepts regarding the generation of positional information during development and then focus on these mechanisms as parsimonious...
Modeling of Spectralon diffusers for radiometric calibration in remote sensing
Sprik, Rudolf
function (BRDF) of the diffuser outside the measured calibration set, or a model of the degradation, and anisotropy of the scattering. We also describe the result of modeling the degradation of a Spectralon diffuser after deposi- tion, under UV radiation, of a silicone layer. Â© 2003 Society of Photo
Lin, Yiheng; Xia, Guangrui [Department of Materials Engineering, The University of British Columbia, 309-6350 Stores Rd, Vancouver, British Columbia V6T 1Z4 (Canada); Yasuda, Hiroshi; Wise, Rick [Texas Instruments, 13121 TI Blvd., Dallas, Texas 75243 (United States); Schiekofer, Manfred; Benna, Bernhard [Texas Instruments Deutschland GmbH, Haggertystrasse 1, 85356 Freising (Germany)
2014-10-14T23:59:59.000Z
The use of carbon (C) in SiGe base layers is an important approach to control the base layer dopant phosphorus (P) diffusion and thus enhance PNP heterojunction bipolar transistor (HBT) performance. This work quantitatively investigated the carbon impacts on P diffusion in Si{sub 0.82}Ge{sub 0.18}:C and Si:C under rapid thermal anneal conditions. The carbon molar fraction is up to 0.32%. The results showed that the carbon retardation effect on P diffusion is less effective for Si{sub 0.82}Ge{sub 0.18}:C than for Si:C. In Si{sub 0.82}Ge{sub 0.18}:C, there is an optimum carbon content at around 0.05% to 0.1%, beyond which more carbon incorporation does not retard P diffusion any more. This behavior is different from the P diffusion behavior in Si:C and the B in Si:C and low Ge SiGe:C, which can be explained by the decreased interstitial-mediated diffusion fraction f{sub I}{sup P,?SiGe} to 95% as Ge content increases to 18%. Empirical models were established to calculate the time-averaged point defect concentrations and effective diffusivities as a function of carbon and was shown to agree with previous studies on boron, phosphorus, arsenic and antimony diffusion with carbon.
Zhang, Qi, S.M. Massachusetts Institute of Technology
2008-01-01T23:59:59.000Z
While large scale diffusion of alternative fuel vehicles (AFVs) is widely anticipated, the mechanisms that determine their success or failure are ill understood. Analysis of an AFV transition model developed at MIT has ...
Modeling biofilms with dual extracellular electron transfer mechanisms
Renslow, Ryan S.; Babauta, Jerome T.; Kuprat, Andrew P.; Schenk, Jim; Ivory, Cornelius; Fredrickson, Jim K.; Beyenal, Haluk
2013-11-28T23:59:59.000Z
Electrochemically active biofilms have a unique form of respiration in which they utilize solid external materials as their terminal electron acceptor for metabolism. Currently, two primary mechanisms have been identified for long-range extracellular electron transfer (EET): a diffusion- and a conduction-based mechanism. Evidence in the literature suggests that some biofilms, particularly Shewanella oneidensis, produce components requisite for both mechanisms. In this study, a generic model is presented that incorporates both diffusion- and conduction-based mechanisms and allows electrochemically active biofilms to utilize both simultaneously. The model was applied to Shewanella oneidensis and Geobacter sulfurreducens biofilms using experimentally generated data found the literature. Our simulation results showed that 1) biofilms having both mechanisms available, especially if they can interact, may have metabolic advantage over biofilms that can use only a single mechanism; 2) the thickness of Geobacter sulfurreducens biofilms is likely not limited by conductivity; 3) accurate intrabiofilm diffusion coefficient values are critical for current generation predictions; and 4) the local biofilm potential and redox potential are two distinct measurements and cannot be assumed to have identical values. Finally, we determined that cyclic and squarewave voltammetry are currently not good tools to determine the specific percentage of extracellular electron transfer mechanisms used by biofilms. The developed model will be a critical tool in designing experiments to explain EET mechanisms.
Extending ballistic graphene FET lumped element models to diffusive devices
Paris-Sud XI, Université de
Extending ballistic graphene FET lumped element models to diffusive devices G Vincenzi1,2 , G graphene field effect device model is presented. The model is based on the "Top-of-the-barrier" approach which is usually valid only for ballistic graphene nanotransistors. Proper modifications are introduced
Developing the Galactic Diffuse Emission Model for the GLAST Large Area Telescope
Moskalenko, Igor V.; Strong, Andrew W.; Digel, Seth W.; Porter, Troy A.
2007-04-30T23:59:59.000Z
Diffuse emission is produced in energetic cosmic ray (CR) interactions, mainly protons and electrons, with the interstellar gas and radiation field and contains the information about particle spectra in distant regions of the Galaxy. It may also contain information about exotic processes such as dark matter annihilation, black hole evaporation etc. A model of the diffuse emission is important for determination of the source positions and spectra. Calculation of the Galactic diffuse continuum g-ray emission requires a model for CR propagation as the first step. Such a model is based on theory of particle transport in the interstellar medium as well as on many kinds of data provided by different experiments in Astrophysics and Particle and Nuclear Physics. Such data include: secondary particle and isotopic production cross sections, total interaction nuclear cross sections and lifetimes of radioactive species, gas mass calibrations and gas distribution in the Galaxy (H{sub 2}, H I, H II), interstellar radiation field, CR source distribution and particle spectra at the sources, magnetic field, energy losses, g-ray and synchrotron production mechanisms, and many other issues. We are continuously improving the GALPROP model and the code to keep up with a flow of new data. Improvement in any field may affect the Galactic diffuse continuum g-ray emission model used as a background model by the GLAST LAT instrument. Here we report about the latest improvements of the GALPROP and the diffuse emission model.
The ramifications of diffusive volume transport in classical fluid mechanics
Bielenberg, James R. (James Ronald), 1976-
2004-01-01T23:59:59.000Z
The thesis that follows consists of a collection of work supporting and extending a novel reformulation of fluid mechanics, wherein the linear momentum per unit mass in a fluid continuum, m, is supposed equal to the volume ...
Dynamic physiological modeling for functional diffuse optical tomography
,c and David A. Boasa a Massachusetts General Hospital, Athinoula A. Martinos Center for Biomedical Imaging and brain that reflect competing metabolic demands and cardiovascular dynamics. The diffuse nature of near- namic response. In this paper, we present a linear state-space model for DOT analysis that models
Modelling of monovacancy diffusion in W over wide temperature range
Bukonte, L., E-mail: laura.bukonte@helsinki.fi; Ahlgren, T.; Heinola, K. [Department of Physics, University of Helsinki, P.O. Box 43, 00014 Helsinki (Finland)
2014-03-28T23:59:59.000Z
The diffusion of monovacancies in tungsten is studied computationally over a wide temperature range from 1300?K until the melting point of the material. Our modelling is based on Molecular Dynamics technique and Density Functional Theory. The monovacancy migration barriers are calculated using nudged elastic band method for nearest and next-nearest neighbour monovacancy jumps. The diffusion pre-exponential factor for monovacancy diffusion is found to be two to three orders of magnitude higher than commonly used in computational studies, resulting in attempt frequency of the order 10{sup 15} Hz. Multiple nearest neighbour jumps of monovacancy are found to play an important role in the contribution to the total diffusion coefficient, especially at temperatures above 2/3 of T{sub m}, resulting in an upward curvature of the Arrhenius diagram. The probabilities for different nearest neighbour jumps for monovacancy in W are calculated at different temperatures.
A mechanical model of early salt dome growth
Irwin, Frank Albert
1988-01-01T23:59:59.000Z
of Department) December 1988 A Mechanical Analysis of Early Salt Dome Growth. (December 1988) Frank Albert Irwin, B. S. , Texas A&M University Chair of Advisory Committee: Dr. Raymond C. Fletcher A two-layer superposition model, the lower layer representing... of the sediments results in growth rates much higher than those observed. Analysis of the case with a diffusivity of 104m2/Ka agrees with all observa- tions. A range of diffusivities which will produce a realistic salt dome model is then determined. The lower...
NUMERICAL MODELLING OF AUTOGENOUS HEALING AND RECOVERY OF MECHANICAL PROPERTIES IN ULTRA-HIGH
Boyer, Edmond
, hydro-chemo- mechanical coupling ABSTRACT Cracks, caused by shrinkage or external loading, reduce. In this study, a hydro-chemo-mechanical model was developed to simulate autogenous healing by further hydration into water was modelled based on micro-mechanical observations. The diffusion process has been simulated
Kwong, S. [National Nuclear Laboratory (United Kingdom)] [National Nuclear Laboratory (United Kingdom); Jivkov, A.P. [Research Centre for Radwaste and Decommissioning and Modelling and Simulation Centre, University of Manchester (United Kingdom)] [Research Centre for Radwaste and Decommissioning and Modelling and Simulation Centre, University of Manchester (United Kingdom)
2013-07-01T23:59:59.000Z
Deep geologic disposal of high activity and long-lived radioactive waste is being actively considered and pursued in many countries, where low permeability geological formations are used to provide long term waste contaminant with minimum impact to the environment and risk to the biosphere. A multi-barrier approach that makes use of both engineered and natural barriers (i.e. geological formations) is often used to further enhance the containment performance of the repository. As the deep repository system subjects to a variety of thermo-hydro-chemo-mechanical (THCM) effects over its long 'operational' lifespan (e.g. 0.1 to 1.0 million years, the integrity of the barrier system will decrease over time (e.g. fracturing in rock or clay)). This is broadly referred as media degradation in the present study. This modelling study examines the effects of media degradation on diffusion dominant solute transport in fractured media that are typical of deep geological environment. In particular, reactive solute transport through fractured media is studied using a 2-D model, that considers advection and diffusion, to explore the coupled effects of kinetic and equilibrium chemical processes, while the effects of degradation is studied using a pore network model that considers the media diffusivity and network changes. Model results are presented to demonstrate the use of a 3D pore-network model, using a novel architecture, to calculate macroscopic properties of the medium such as diffusivity, subject to pore space changes as the media degrade. Results from a reactive transport model of a representative geological waste disposal package are also presented to demonstrate the effect of media property change on the solute migration behaviour, illustrating the complex interplay between kinetic biogeochemical processes and diffusion dominant transport. The initial modelling results demonstrate the feasibility of a coupled modelling approach (using pore-network model and reactive transport model) to examine the long term behaviour of deep geological repositories with media property change under complex geochemical conditions. (authors)
Modelling precipitation of niobium carbide in austenite: multicomponent diffusion, capillarity,
Cambridge, University of
Modelling precipitation of niobium carbide in austenite: multicomponent diffusion, capillarity, and coarsening N. Fujita and H. K. D. H. Bhadeshia The growth of niobium carbide in austenite involves for the overall transformation kinetics of niobium carbide precipitation in austenite that takes into account
Modelling Electrical Car Diffusion Based on Agent Tao Zhang, 3
Aickelin, Uwe
the UK government's 2020 target of cutting emission. Figure 1. city energy consumption in UK, 2009 government announced a project that anyone who buys an electric plug-in car from 2011 will get a 25% discountModelling Electrical Car Diffusion Based on Agent 1 Lei Yu, ,2 Tao Zhang, 3 Siebers Peer-Ola, 4
Energy and Momentum Conservation for Diffusion - A Stochastic Mechanics Approximation - Part I
Johan Beumee
2006-10-19T23:59:59.000Z
This paper models the classical diffusion of a main particle through a heatbath by means of a pre-limit microscopic representation of its drifted momentum and energy transfers at collision times. The collision point linear interpolated path can be approximated by the solution to the "inscribed" continuous stochastic differential equation using the same drift function. Employing results from stochastic mechanics it is then shown that the combined main particle/heatbath system does not exchange or radiate energy if the probability distribution for the position of the main particle is derived from Schroedinger's equation. Furthermore it is shown that the main particle distance traveled between collisions and the mean inter-collision time must satisfy a type of Minkowski invariant. Hence if there is a correlation between the pre- and post-collision velocities of the main particle through a collision point then the mean distance traveled can be related to the mean inter-particle collision times via a Lorentz transformation. The last Section shows that this approach can be applied to all elastic main particle/heatbath particle collisions either via direct calculation involving modeling the collision scattering or by altering the properties of the heatbath.
Flux-Limited Diffusion Approximation Models of Giant Planet Formation by Disk Instability
Boss, Alan P
2008-01-01T23:59:59.000Z
Both core accretion and disk instability appear to be required as formation mechanisms in order to explain the entire range of giant planets found in extrasolar planetary systems. Disk instability is based on the formation of clumps in a marginally-gravitationally unstable protoplanetary disk. These clumps can only be expected to contract and survive to become protoplanets if they are able to lose thermal energy through a combination of convection and radiative cooling. Here we present several new three dimensional, radiative hydrodynamics models of self-gravitating protoplanetary disks, where radiative transfer is handled in the flux-limited diffusion approximation. We show that while the flux-limited models lead to higher midplane temperatures than in a diffusion approximation model without the flux-limiter, the difference in temperatures does not appear to be sufficiently high to have any significant effect on the formation of self-gravitating clumps. Self-gravitating clumps form rapidly in the models both...
Ortiz, Michael
viewpoints, is futile. Among several mechanisms proposed for hydrogen embrittlement (HE) of metals, hydrogenEffect of atomic scale plasticity on hydrogen diffusion in iron: Quantum mechanically informed-assisted diffusion and trapping of hydrogen by crystalline defects in iron. Given an embedded atom (EAM) potential
Flux-Limited Diffusion Approximation Models of Giant Planet Formation by Disk Instability
Alan P. Boss
2008-01-28T23:59:59.000Z
Both core accretion and disk instability appear to be required as formation mechanisms in order to explain the entire range of giant planets found in extrasolar planetary systems. Disk instability is based on the formation of clumps in a marginally-gravitationally unstable protoplanetary disk. These clumps can only be expected to contract and survive to become protoplanets if they are able to lose thermal energy through a combination of convection and radiative cooling. Here we present several new three dimensional, radiative hydrodynamics models of self-gravitating protoplanetary disks, where radiative transfer is handled in the flux-limited diffusion approximation. We show that while the flux-limited models lead to higher midplane temperatures than in a diffusion approximation model without the flux-limiter, the difference in temperatures does not appear to be sufficiently high to have any significant effect on the formation of self-gravitating clumps. Self-gravitating clumps form rapidly in the models both with and without the flux-limiter. These models suggest that the reason for the different outcomes of numerical models of disk instability by different groups cannot be attributed solely to the handling of radiative transfer, but rather appears to be caused by a range of numerical effects and assumptions. Given the observational imperative to have disk instability form at least some extrasolar planets, these models imply that disk instability remains as a viable giant planet formation mechanism.
Modeling diffusion of innovations in a social network X. Guardiola,1
Diaz-Guilera, Albert
Modeling diffusion of innovations in a social network X. Guardiola,1 A. DiÂ´az-Guilera,1 C. J. Pe model of diffusion of innovations in a social network with upgrading costs is introduced. Agents of diffusion of innovations in a social network. In order to un- derstand the complex behavior of technology
Superdiffusion in a Model for Diffusion in a Molecularly Crowded Environment
Dietrich Stauffer; Christian Schulze; Dieter W. Heermann
2007-06-05T23:59:59.000Z
We present a model for diffusion in a molecularly crowded environment. The model consists of random barriers in percolation network. Random walks in the presence of slowly moving barriers show normal diffusion for long times, but anomalous diffusion at intermediate times. The effective exponents for square distance versus time usually are below one at these intermediate times, but can be also larger than one for high barrier concentrations. Thus we observe sub- as well as super-diffusion in a crowded environment.
Modelling of unidirectional thermal diffusers in shallow water
Lee, Joseph Hun-Wei
1977-01-01T23:59:59.000Z
This study is an experimental and theoretical investigation of the temperature field and velocity field induced by a unidirectional thermal diffuser in shallow water. A multiport thermal diffuser is essentially a pipe laid ...
Magnetic field diffusion modeling of a small enclosed firing system
Warne, L.K.; Merewether, K.O.
1996-01-01T23:59:59.000Z
Intense magnetic fields exist in the immediate vicinity of a lightning strike (and near power lines). Conducting barriers increase the rise time (and thus decrease the rise rate) interior to the barrier, but typically do not prevent penetration of the magnetic field, since the lightning current fall time may be larger than the barrier diffusion time. Thus, substantial energy is present in the interior field, although the degradation of rise rate makes it more difficult to couple into electrical circuits. This report assesses the threat posed by the diffusive magnetic field to interior components and wire loops (where voltages are induced). Analytical and numerical bounding analyses are carried out on a pill box shaped conducting barrier to develop estimates for the worst case magnetic field threats inside the system. Worst case induced voltages and energies are estimated and compared with threshold charge voltages and energies on the output capacitor of the system. Variability of these quantities with respect to design parameters are indicated. The interior magnetic field and induced voltage estimates given in this report can be used as excitations for more detailed interior and component models.
ASSISTANT PROFESSOR OF MECHANICAL ENGINEERING COMPUTATIONAL MODELING
ASSISTANT PROFESSOR OF MECHANICAL ENGINEERING COMPUTATIONAL MODELING COLLEGE OF ENGINEERING The Department of Mechanical Engineering at Colorado State University invites applications for a tenure processes with emphasis on applying the models to engineering systems of interest in the energy or materials
A Multiphase Solute Diffusion Model for Dendritic Alloy Solidification
Beckermann, Christoph
phenomena, Ni and Beckermann[4] proposed a two-phase model for mass, momentum, energy, and species transport averaging process, phase interaction terms appear in the resulting macro- scopic balance equations, are with the Department of Mechanical Engineering, The University of Iowa, Iowa City, IA 52242. Manuscript submitted
Probing the brain’s white matter with diffusion MRI and a tissue dependent diffusion model
Piatkowski, Jakub Przemyslaw
2014-06-27T23:59:59.000Z
While diffusion MRI promises an insight into white matter microstructure in vivo, the axonal pathways that connect different brain regions together can only partially be segmented using current methods. Here we present ...
A Process Model of Quantum Mechanics
William Sulis
2014-04-21T23:59:59.000Z
A process model of quantum mechanics utilizes a combinatorial game to generate a discrete and finite causal space upon which can be defined a self-consistent quantum mechanics. An emergent space-time M and continuous wave function arise through a non-uniform interpolation process. Standard non-relativistic quantum mechanics emerges under the limit of infinite information (the causal space grows to infinity) and infinitesimal scale (the separation between points goes to zero). The model has the potential to address several paradoxes in quantum mechanics while remaining computationally powerful.
Quantitative Model of Price Diffusion and Market Friction Based on Trading as a Mechanistic Random 2002; published 13 March 2003) We model trading and price formation in a market under the assumption for the most basic properties of markets, such as the diffusion rate of prices (which is the standard measure
Ponce, V. Miguel
holding storm water in parking lots is examined by using a diffusion wave model of catchment dynamics in urban storm water management. INTRODUCTION Urban development decreases surface roughness and infil, we use the diffusion wave model to quantify runoff detention in parking lots. Four extreme storms
On the existence of solutions for a drift-diffusion system arising in corrosion modelling
Paris-Sud XI, UniversitÃ© de
On the existence of solutions for a drift-diffusion system arising in corrosion modelling I-diffusion system describing the corrosion of an iron based alloy in a nuclear waste repository. In comparison of the corrosion model lies in the boundary conditions which are of Robin type and induce an additional coupling
Mechanical modeling of the growth of salt structures
Alfaro, R.A.M.
1993-05-01T23:59:59.000Z
A 2D numerical model for studying the morphology and history of salt structures by way of computer simulations is presented. The model is based on conservation laws for physical systems, a fluid marker equation to keep track of the salt/sediments interface, and two constitutive laws for rocksalt. When buoyancy alone is considered, the fluid-assisted diffusion model predicts evolution of salt structures 2.5 times faster than the power-law creep model. Both rheological laws predict strain rates of the order of 4.0 {times} 10{sup {minus}15}s{sup {minus}1} for similar structural maturity level of salt structures. Equivalent stresses and viscosities predicted by the fluid-assisted diffusion law are 10{sup 2} times smaller than those predicted by the power-law creep rheology. Use of East Texas Basin sedimentation rates and power-law creep rheology indicate that differential loading is an effective mechanism to induce perturbations that amplify and evolve to mature salt structures, similar to those observed under natural geological conditions.
A model of riots dynamics: shocks, diffusion and thresholds
Berestycki, Henri; Rodriguez, Nancy
2015-01-01T23:59:59.000Z
We introduce and analyze several variants of a system of differential equations which model the dynamics of social outbursts, such as riots. The systems involve the coupling of an explicit variable representing the intensity of rioting activity and an underlying (implicit) field of social tension. Our models include the effects of exogenous and endogenous factors as well as various propagation mechanisms. From numerical and mathematical analysis of these models we show that the assumptions made on how different locations influence one another and how the tension in the system disperses play a major role on the qualitative behavior of bursts of social unrest. Furthermore, we analyze here various properties of these systems, such as the existence of traveling wave solutions, and formulate some new open mathematical problems which arise from our work.
Developing A Laser Shockwave Model For Characterizing Diffusion Bonded Interfaces
James A. Smith; Jeffrey M. Lacy; Barry H. Rabin
2014-07-01T23:59:59.000Z
12. Other advances in QNDE and related topics: Preferred Session Laser-ultrasonics Developing A Laser Shockwave Model For Characterizing Diffusion Bonded Interfaces 41st Annual Review of Progress in Quantitative Nondestructive Evaluation Conference QNDE Conference July 20-25, 2014 Boise Centre 850 West Front Street Boise, Idaho 83702 James A. Smith, Jeffrey M. Lacy, Barry H. Rabin, Idaho National Laboratory, Idaho Falls, ID ABSTRACT: The US National Nuclear Security Agency has a Global Threat Reduction Initiative (GTRI) which is assigned with reducing the worldwide use of high-enriched uranium (HEU). A salient component of that initiative is the conversion of research reactors from HEU to low enriched uranium (LEU) fuels. An innovative fuel is being developed to replace HEU. The new LEU fuel is based on a monolithic fuel made from a U-Mo alloy foil encapsulated in Al-6061 cladding. In order to complete the fuel qualification process, the laser shock technique is being developed to characterize the clad-clad and fuel-clad interface strengths in fresh and irradiated fuel plates. The Laser Shockwave Technique (LST) is being investigated to characterize interface strength in fuel plates. LST is a non-contact method that uses lasers for the generation and detection of large amplitude acoustic waves to characterize interfaces in nuclear fuel plates. However the deposition of laser energy into the containment layer on specimen’s surface is intractably complex. The shock wave energy is inferred from the velocity on the backside and the depth of the impression left on the surface from the high pressure plasma pulse created by the shock laser. To help quantify the stresses and strengths at the interface, a finite element model is being developed and validated by comparing numerical and experimental results for back face velocities and front face depressions with experimental results. This paper will report on initial efforts to develop a finite element model for laser shock.
Comprehensive mechanisms for combustion chemistry: Experiment, modeling, and sensitivity analysis
Dryer, F.L.; Yetter, R.A. [Princeton Univ., NJ (United States)
1993-12-01T23:59:59.000Z
This research program is an integrated experimental/numerical effort to study pyrolysis and oxidation reactions and mechanisms for small-molecule hydrocarbon structures under conditions representative of combustion environments. The experimental aspects of the work are conducted in large diameter flow reactors, at pressures from one to twenty atmospheres, temperatures from 550 K to 1200 K, and with observed reaction times from 10{sup {minus}2} to 5 seconds. Gas sampling of stable reactant, intermediate, and product species concentrations provides not only substantial definition of the phenomenology of reaction mechanisms, but a significantly constrained set of kinetic information with negligible diffusive coupling. Analytical techniques used for detecting hydrocarbons and carbon oxides include gas chromatography (GC), and gas infrared (NDIR) and FTIR methods are utilized for continuous on-line sample detection of light absorption measurements of OH have also been performed in an atmospheric pressure flow reactor (APFR), and a variable pressure flow (VPFR) reactor is presently being instrumented to perform optical measurements of radicals and highly reactive molecular intermediates. The numerical aspects of the work utilize zero and one-dimensional pre-mixed, detailed kinetic studies, including path, elemental gradient sensitivity, and feature sensitivity analyses. The program emphasizes the use of hierarchical mechanistic construction to understand and develop detailed kinetic mechanisms. Numerical studies are utilized for guiding experimental parameter selections, for interpreting observations, for extending the predictive range of mechanism constructs, and to study the effects of diffusive transport coupling on reaction behavior in flames. Modeling using well defined and validated mechanisms for the CO/H{sub 2}/oxidant systems.
Lee, Shiu-Hang; Kamae, Tuneyoshi; Ellison, Donald C.
2008-07-02T23:59:59.000Z
We present a 3-dimensional model of supernova remnants (SNRs) where the hydrodynamical evolution of the remnant is modeled consistently with nonlinear diffusive shock acceleration occurring at the outer blast wave. The model includes particle escape and diffusion outside of the forward shock, and particle interactions with arbitrary distributions of external ambient material, such as molecular clouds. We include synchrotron emission and cooling, bremsstrahlung radiation, neutral pion production, inverse-Compton (IC), and Coulomb energy-loss. Boardband spectra have been calculated for typical parameters including dense regions of gas external to a 1000 year old SNR. In this paper, we describe the details of our model but do not attempt a detailed fit to any specific remnant. We also do not include magnetic field amplification (MFA), even though this effect may be important in some young remnants. In this first presentation of the model we don't attempt a detailed fit to any specific remnant. Our aim is to develop a flexible platform, which can be generalized to include effects such as MFA, and which can be easily adapted to various SNR environments, including Type Ia SNRs, which explode in a constant density medium, and Type II SNRs, which explode in a pre-supernova wind. When applied to a specific SNR, our model will predict cosmic-ray spectra and multi-wavelength morphology in projected images for instruments with varying spatial and spectral resolutions. We show examples of these spectra and images and emphasize the importance of measurements in the hard X-ray, GeV, and TeV gamma-ray bands for investigating key ingredients in the acceleration mechanism, and for deducing whether or not TeV emission is produced by IC from electrons or pion-decay from protons.
Modeling the mechanical response of PBX 9501
Ragaswamy, Partha [Los Alamos National Laboratory; Lewis, Matthew W [Los Alamos National Laboratory; Liu, Cheng [Los Alamos National Laboratory; Thompson, Darla G [Los Alamos National Laboratory
2010-01-01T23:59:59.000Z
An engineering overview of the mechanical response of Plastic-Bonded eXplosives (PBXs), specifically PBX 9501, will be provided with emphasis on observed mechanisms associated with different types of mechanical testing. Mechanical tests in the form of uniaxial tension, compression, cyclic loading, creep (compression and tension), and Hopkinson bar show strain rate and temperature dependence. A range of mechanical behavior is observed which includes small strain recoverable response in the form of viscoelasticity; change in stiffness and softening beyond peak strength due to damage in the form microcracks, debonding, void formation and the growth of existing voids; inelastic response in the form of irrecoverable strain as shown in cyclic tests, and viscoelastic creep combined with plastic response as demonstrated in creep and recovery tests. The main focus of this paper is to elucidate the challenges and issues involved in modeling the mechanical behavior of PBXs for simulating thermo-mechanical responses in engineering components. Examples of validation of a constitutive material model based on a few of the observed mechanisms will be demonstrated against three point bending, split Hopkinson pressure bar and Brazilian disk geometry.
Carl H. Gibson
2000-12-18T23:59:59.000Z
Self-gravitational structure formation theory for astrophysics and cosmology is revised using nonlinear fluid mechanics. Gibson's 1996-2000 theory balances fluid mechanical forces with gravitational forces and density diffusion with gravitational diffusion at critical viscous, turbulent, magnetic, and diffusion length scales termed Schwarz scales. Instability occurs for scales larger than the largest Schwarz scale rather than only for scales larger than the acoustic scale introduced by Jeans 1902. From the new theory, the inner-halo-dark-matter of galaxies consists of dark proto-globular-star-cluster (PGC) clumps of small-planetary-mass objects called primordial fog particles (PFPs) formed soon after decoupling at 300,000 years. PFPs explain Schild's 1996 "rogue planets >... likely to be the missing mass" of a quasar lens-galaxy. WIMP dark matter fluid is super-diffusive and fragments at large L_SD scales to form outer-galaxy-halos. In the beginning of structure formation 30,000 years after the Big Bang the viscous Schwarz scale L_SV matched the horizon scale L_H at proto-galaxy-supercluster masses, decreasing to proto-galaxy fragments at 300,000 years. WIMP diffusivities from observed outer-halo (L_SD) scales indicate WIMP particle masses in the neutrino rather than neutralino range.
Modeling the diffuse reflectance due to a narrow beam incident on a turbid medium
Kim, Arnold D.
of an asymptotic analysis of the radiative transport equation for strong scattering, weak absorption, and a narrow of the radiative transport equation, we show that this diffuse reflectance model gives results that are accurate for the diffuse reflectance from the solution of the radiative transport equation. However, using the solution
Atomistic Models of Long-Term Hydrogen Diffusion in Metals M. P. Ariza1,a
Ortiz, Michael
-storage-related applications including, but not limited to, hydrogen embrittlement, grain boundary diffusion, and various and the kinetics of hydrogen atoms. One example is hydrogen embrittlement, that is, the material becomes brittleAtomistic Models of Long-Term Hydrogen Diffusion in Metals M. P. Ariza1,a , K. G. Wang,2,b , and M
A Combined Molecular Dynamics and Diffusion Model of Single Proton Conduction through Gramicidin
Schumaker, Mark
A Combined Molecular Dynamics and Diffusion Model of Single Proton Conduction through Gramicidin through the gramicidin pore is described by a potential of mean force and diffusion coefficient obtained in the hydrogen bonding structure of pore waters without an excess proton. Proton entrance and exit were
Modelling CO2 diffusion and assimilation in a leaf with axisymmetric finite volumes
Herbin, RaphaÃ¨le
Modelling CO2 diffusion and assimilation in a leaf with axisymmetric finite volumes Emily GallouÃ«t. This paper deals with the numerical simulation of the diffusion and assimilation by photosynthesis of CO2 medium, from experimental measurements of the pointwise value of internal CO2 concentration, giving some
MODELING THE DIFFUSION OF MICRO-CHP IN A RESIDENTIAL AREA
i MODELING THE DIFFUSION OF MICRO-CHP IN A RESIDENTIAL AREA by Christian Chemaly A thesis submitted OF MICRO-CHP IN A RESIDENTIAL AREA by Christian Chemaly A thesis presented on the diffusion of micro-CHP shows that micro-CHP will not reach 50% of the market in less than 20 years. Furthermore it analyses
Influence of heavy element and rotationally induced diffusions on the solar models
M. Gabriel
1997-06-20T23:59:59.000Z
We present the results of solar model computation done with the latest Livermore opacities. Models without diffusion, with hydrogen diffusion only and with hydrogen and heavy elements diffusion are considered. The influence of mixing below the convective envelope induced by rotation and angular momentum losses is also discussed. The sound speed of our best model, does not deviate from that of Basu's seismic one by more than about one thousandth; p-mode frequencies are also compared with observations and frequencies for low order p and g-modes are given.
Microstructure Based Modeling of ? Phase Influence on Mechanical...
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Based Modeling of ? Phase Influence on Mechanical Response of Cast AM Series Mg Alloys. Microstructure Based Modeling of ? Phase Influence on Mechanical Response of Cast...
Coupled Kinetic, Thermal, and Mechanical Modeling of FIB Micro...
Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site
Coupled Kinetic, Thermal, and Mechanical Modeling of FIB Micro-machined Electrodes Coupled Kinetic, Thermal, and Mechanical Modeling of FIB Micro-machined Electrodes 2010 DOE...
Rucklidge, Alastair
Modelling diffusion of energy innovations on a heterogeneous social net work and approaches A model has been developed to simulate the diffusion of energy innovations on a heteroge neous social applying these ideas to model ling the diffusion of domestic energy innovations on a social network
A Signal Processing Model of Quantum Mechanics
Chris Thron; Johnny Watts
2012-05-08T23:59:59.000Z
This paper develops a deterministic model of quantum mechanics as an accumulation-and-threshold process. The model arises from an analogy with signal processing in wireless communications. Complex wavefunctions are interpreted as expressing the amplitude and phase information of a modulated carrier wave. Particle transmission events are modeled as the outcome of a process of signal accumulation that occurs in an extra (non-spacetime) dimension. Besides giving a natural interpretation of the wavefunction and the Born rule, the model accommodates the collapse of the wave packet and other quantum paradoxes such as EPR and the Ahanorov-Bohm effect. The model also gives a new perspective on the 'relational' nature of quantum mechanics: that is, whether the wave function of a physical system is "real" or simply reflects the observer's partial knowledge of the system. We simulate the model for a 2-slit experiment, and indicate possible deviations of the model's predictions from conventional quantum mechanics. We also indicate how the theory may be extended to a field theory.
MECHANICAL BEHAVIOUR OF PVC: MODEL EVALUATION
Miroshnychenko, Dmitri
MECHANICAL BEHAVIOUR OF PVC: MODEL EVALUATION BY DMYTRO MIROSHNYCHENKO A MASTER'S THESIS SUBMITTED in the prediction of the Treloar data . . . 60 3 The yield stress of oriented PVC and its prediction 66 3 of oriented PVC . . . . . . 69 3.4 Prediction of the yield stress of oriented PVC . . . . . . . . . . . . . 73
Doctoral Defense "Thermal-hydro-mechanical model
Kamat, Vineet R.
Doctoral Defense "Thermal-hydro-mechanical model for freezing and thawing soils" Yao Zhang Date & Environmental Engineering Frost susceptible soils are vulnerable to frost action in seasonal freezing as well and strengthening occurs as the soils freeze, whereas settlement and thaw weakening is expected during the melting
Generalized diffusion model in optical tomography with clear layers
Ren, Kui
transport equation that describes the den- sity of photons in the phase space, i.e., as a function of po increasingly often.9 For computational savings an approximation to radiative transport is often preferred solve phase-space transport equa- tions instead of the inaccurate diffusion equations.12,16 A large
High phosphorous doped germanium: Dopant diffusion and modeling
Cai, Yan
The in situ n-type doping of Ge thin films epitaxial grown on Si substrates is limited to 1?×?10[superscript 19]?cm[superscript ?3] by the phosphorous out-diffusion during growth at 600?°C. By studying the phosphorous ...
Non-Linear Drying Diffusion and Viscoelastic Drying Shrinkage Modeling in Hardened Cement Pastes
Leung, Chin K.
2010-07-14T23:59:59.000Z
modeling with an average diffusion coefficient and with determined viscoelastic parameters from creep tests agreed well compared to the shrinkage data from experiments, indicating that drying shrinkage of cement paste may be considered as a poroviscoelastic...
A Finite Element Algorithm of a Nonlinear Diffusive Climate Energy Balance Model
DÃaz, JesÃºs Ildefonso
A Finite Element Algorithm of a Nonlinear Diffusive Climate Energy Balance Model R. BERMEJO,1 J. This model belongs to the category of energy balance models introduced independently by the climatologists M climate. The energy balance model we are dealing with consists of a two-dimensional nonlinear parabolic
Paris-Sud XI, Université de
Bond Graph Modeling of Current Diffusion in Magnetic Cores Hervé Morel, Bruno Allard, Sabrine M, F-69621 Villeurbanne Cedex, France KEYBOARD: Bond Graphs, Variational approximation, Diffusive with the diffusion representation. Both approaches yield a same bond graph representation. 2. MODELING CURRENT
Modeling cation diffusion in compacted water-saturatedNa-bentonite at low ionic strength
Bourg, Ian C.; Sposito, Garrison; Bourg, Alain C.M.
2007-08-28T23:59:59.000Z
Sodium bentonites are used as barrier materials for the isolation of landfills and are under consideration for a similar use in the subsurface storage of high-level radioactive waste. The performance of these barriers is determined in large part by molecular diffusion in the bentonite pore space. We tested two current models of cation diffusion in bentonite against experimental data on the relative apparent diffusion coefficients of two representative cations, sodium and strontium. On the 'macropore/nanopore' model, solute molecules are divided into two categories, with unequal pore-scale diffusion coefficients, based on location: in macropores or in interlayer nanopores. On the 'surface diffusion' model, solute molecules are divided into categories based on chemical speciation: dissolved or adsorbed. The macropore/nanopore model agrees with all experimental data at partial montmorillonite dry densities ranging from 0.2 (a dilute bentonite gel) to 1.7 kg dm{sup -3} (a highly compacted bentonite with most of its pore space located in interlayer nanopores), whereas the surface diffusion model fails at partial montmorillonite dry densities greater than about 1.2 kg dm{sup -3}.
Statistical Mechanical Models and Topological Color Codes
H. Bombin; M. A. Martin-Delgado
2007-11-03T23:59:59.000Z
We find that the overlapping of a topological quantum color code state, representing a quantum memory, with a factorized state of qubits can be written as the partition function of a 3-body classical Ising model on triangular or Union Jack lattices. This mapping allows us to test that different computational capabilities of color codes correspond to qualitatively different universality classes of their associated classical spin models. By generalizing these statistical mechanical models for arbitrary inhomogeneous and complex couplings, it is possible to study a measurement-based quantum computation with a color code state and we find that their classical simulatability remains an open problem. We complement the meaurement-based computation with the construction of a cluster state that yields the topological color code and this also gives the possibility to represent statistical models with external magnetic fields.
Using a Quasipotential Transformation for Modeling Diffusion Media inPolymer-Electrolyte Fuel Cells
Weber, Adam Z.; Newman, John
2008-08-29T23:59:59.000Z
In this paper, a quasipotential approach along with conformal mapping is used to model the diffusion media of a polymer-electrolyte fuel cell. This method provides a series solution that is grid independent and only requires integration along a single boundary to solve the problem. The approach accounts for nonisothermal phenomena, two-phase flow, correct placement of the electronic potential boundary condition, and multilayer media. The method is applied to a cathode diffusion medium to explore the interplay between water and thermal management and performance, the impact of the rib-to-channel ratio, and the existence of diffusion under the rib and flooding phenomena.
Coupled Thermal-Hydrological-Mechanical-Chemical Model and Experiments...
Broader source: Energy.gov (indexed) [DOE]
Coupled Thermal-Hydrological-Mechanical-Chemical Model and Experiments for Optimization of Enhanced Geothermal System Development and Production Coupled Thermal-Hydrological-Mechan...
Bourg, I.C.; Sposito, G.; Bourg, A.C.M.
2008-08-15T23:59:59.000Z
Assessments of bentonite barrier performance in waste management scenarios require an accurate description of the diffusion of water and solutes through the barrier. A two-compartment macropore/nanopore model (on which smectite interlayer nanopores are treated as a distinct compartment of the overall pore space) was applied to describe the diffusion of {sup 22}Na{sup +} in compacted, water-saturated Na-bentonites and then compared with the well-known surface diffusion model. The two-compartment model successfully predicted the observed weak ionic strength dependence of the apparent diffusion coefficient (D{sub a}) of Na{sup +}, whereas the surface diffusion model did not, thus confirming previous research indicating the strong influence of interlayer nanopores on the properties of smectite clay barriers. Since bentonite mechanical properties and pore water chemistry have been described successfully with two-compartment models, the results in the present study represent an important contribution toward the construction of a comprehensive two-compartment model of compacted bentonite barriers.
Modelling diffusion of energy innovations on a social network and integration of re-al-world data
Rucklidge, Alastair
Modelling diffusion of energy innovations on a social network and integration of re- al-world data of the effect of social influences on the diffusion of new innovations, along with the spread of information the diffusion of domestic energy innovations on a social network at the city level. We ul- timately aim
Efficient Reformulation of Solid-Phase Diffusion in Physics-Based Lithium-Ion Battery Models
Subramanian, Venkat
Efficient Reformulation of Solid-Phase Diffusion in Physics-Based Lithium-Ion Battery Models or approximation for the solid phase. One of the major difficulties in simulating Li-ion battery models is the need typically solve electrolyte con- centration, electrolyte potential, solid-state potential, and solid-state
Modeling the Effect of Finite-Rate Hydrogen Diffusion on Porosity Formation in Aluminum Alloys
Beckermann, Christoph
Modeling the Effect of Finite-Rate Hydrogen Diffusion on Porosity Formation in Aluminum Alloys KENT of hydrogen in the melt is developed to predict pore formation during the solidification of aluminum alloys by Lee et al.[3] Recent examples of porosity models for aluminum alloy castings, including the effect
Mechanical Models of Fault-Related Folding
Johnson, A. M.
2003-01-09T23:59:59.000Z
The subject of the proposed research is fault-related folding and ground deformation. The results are relevant to oil-producing structures throughout the world, to understanding of damage that has been observed along and near earthquake ruptures, and to earthquake-producing structures in California and other tectonically-active areas. The objectives of the proposed research were to provide both a unified, mechanical infrastructure for studies of fault-related foldings and to present the results in computer programs that have graphical users interfaces (GUIs) so that structural geologists and geophysicists can model a wide variety of fault-related folds (FaRFs).
Modeling-Thermo-electrochemistry, Capacity Degradation and Mechanics...
Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site
& Publications Microscale Electrode Design Using Coupled Kinetic, Thermal and Mechanical Modeling Modeling - Scale-Bridging Simulations Active Materials in Li-ion Batteries,...
Human walking model predicts joint mechanics, electromyography and mechanical economy
Endo, Ken
In this paper, we present an under-actuated model of human walking, comprising only a soleus muscle and flexion/extension monoarticular hip muscles. The remaining muscle groups of the human leg are modeled using quasi-passive, ...
Liu, W.S.; Cai, Q.S., E-mail: cai2009pm@163.com; Ma, Y.Z.; Wang, Y.Y.; Liu, H.Y.; Li, D.X.
2013-12-15T23:59:59.000Z
Diffusion bonding between W and steel using V/Ni composite interlayer was carried out in vacuum at 1050 °C and 10 MPa for 1 h. The microstructural examination and mechanical property evaluation of the joints show that the bonding of W to steel was successful. No intermetallic compound was observed at the steel/Ni and V/W interfaces for the joints bonded. The electron probe microanalysis and X-ray diffraction analysis revealed that Ni{sub 3}V, Ni{sub 2}V, Ni{sub 2}V{sub 3} and NiV{sub 3} were formed at the Ni/V interface. The tensile strength of about 362 MPa was obtained for as-bonded W/steel joint and the failure occurred at W near the V/W interface. The nano-indentation test across the joining interfaces demonstrated the effect of solid solution strengthening and intermetallic compound formation in the diffusion zone. - Highlights: • Diffusion bonding of W to steel was realized using V/Ni composite interlayer. • The interfacial microstructure of the joint was clarified. • Several V–Ni intermetallic compounds were formed in the interface region. • The application of V/Ni composite interlayer improved the joining quality.
Carl H. Gibson
1999-04-18T23:59:59.000Z
The theory of gravitational structure formation in astrophysics and cosmology is revised based on real fluid behavior and turbulent mixing theory. Gibson's 1996-1998 theory balances fluid mechanical forces with gravitational forces and density diffusivity with gravitational diffusivity at critical viscous, turbulent, magnetic, and diffusion length scales termed Schwarz scales L_SX. Condensation and void formation occurs on non-acoustic density nuclei produced by turbulent mixing for scales L>=L_SXmax rather than on sound wave crests and troughs for L>=L_J as required by Jeans's 1902 linear acoustic theory. Schwarz scales L_SX = L_SV, L_ST, L_SM, or L_SD may be smaller or larger than Jeans's scale L_J. Thus, a very different "nonlinear" cosmology emerges to replace the currently accepted "linear" cosmology. According to the new theory, most of the inner halo dark matter of galaxies consists of planetary mass objects that formed soon after the plasma to neutral gas transition 300,000 years after the Big Bang. These objects are termed primordial fog particles (PFPs) and provide an explanation for Schild's 1996 "rogue planets ... likely to be the missing mass" of his observed quasar-lens galaxy, inferred from the twinkling frequencies of both quasar images and their phased difference.
User's guide to the MESOI diffusion model and to the utility programs UPDATE and LOGRVU
Athey, G.F.; Allwine, K.J.; Ramsdell, J.V.
1981-11-01T23:59:59.000Z
MESOI is an interactive, Lagrangian puff trajectory diffusion model. The model is documented separately (Ramsdell and Athey, 1981); this report is intended to provide MESOI users with the information needed to successfully conduct model simulations. The user is also provided with guidance in the use of the data file maintenance and review programs; UPDATE and LOGRVU. Complete examples are given for the operaton of all three programs and an appendix documents UPDATE and LOGRVU.
A radially resolved kinetic model for nonlocal electron ripple diffusion losses in tokamaks
Robertson, Scott [Department of Physics and Center for Integrated Plasma Studies, University of Colorado, Boulder, Colorado 80309-0390 (United States)
2006-09-15T23:59:59.000Z
A relatively simple radially resolved kinetic model is applied to the ripple diffusion problem for electrons in tokamaks. The distribution function f(r,v) is defined on a two-dimensional grid, where r is the radial coordinate and v is the velocity coordinate. Particle transport in the radial direction is from ripple and banana diffusion and transport in the velocity direction is described by the Fokker-Planck equation. Particles and energy are replaced by source functions that are adjusted to maintain a constant central density and temperature. The relaxed profiles of f(r,v) show that the electron distribution function at the wall contains suprathermal electrons that have diffused from the interior that enhance ripple transport. The transport at the periphery is therefore nonlocal. The energy replacement times from the computational model are near to the experimental replacement times for tokamak discharges in the compilation by Pfeiffer and Waltz [Nucl. Fusion 19, 51 (1979)].
Comparison of light scattering models for diffuse optical tomography
Kim, Arnold D.
different models for light propagation in tissues: (1) the radiative transport equation, (2) the delta of the radiative transport equation that take into account forward-peaked scattering analytically. Using simulated data from the numerical solution of radiative transport equation, we solve the inverse problem
MRI based diffusion and perfusion predictive model to estimate stroke Stephen E. Rosea,
McLachlan, Geoff
MRI based diffusion and perfusion predictive model to estimate stroke evolution Stephen E. Rosea and perfusion images acquired in the acute stage of stroke. The validity of this methodology was tested on novel patient data including data acquired from an independent stroke clinic. Regions-of-interest (ROIs
A continuous surface tension force formulation for diffuse-interface models
Frey, Pascal
A continuous surface tension force formulation for diffuse-interface models Junseok Kim October 2004 Available online 30 November 2004 Abstract We present a new surface tension force formulation field because pressure includes the gradient terms resulting from the modified surface tension term
Stochastic Modeling and Direct Simulation of the Diffusion Media for Polymer Electrolyte Fuel Cells
Schmidt, Volker
Cells Yun Wang* and Xuhui Feng Renewable Energy Resources Lab (RERL) and National Fuel Cell Research the stochastic-model-based reconstruction of the gas diffusion layer (GDL) of polymer electrolyte fuel cells on pore-level transport and scrutinize the macroscopic approach vastly adopted in current fuel cell
Analysis of model equations for stress-enhanced diffusion in coal
Segatti, Antonio
the coal seams. Carbon dioxide displaces the methane adsorbed on the internal surface of the coal. A production well gathers the methane as free gas. This process, known as carbon dioxide-enhanced coal bedAnalysis of model equations for stress-enhanced diffusion in coal layers Andro MikeliÂ´c Andro
Numerical Solution of Two Asset Jump Diffusion Models for Option Valuation
Forsyth, Peter A.
Numerical Solution of Two Asset Jump Diffusion Models for Option Valuation Simon S. Clift and Peter parabolic partial integro-differential equation (PIDE). An implicit, finite difference method is derived with an FFT. The method prices both American and European style contracts indepen- dent (under some simple
Physical causes and modeling challenges of anomalous diffusion of sediment tracers
Physical causes and modeling challenges of anomalous diffusion of sediment tracers Douglas Jerolmack Earth & Environmental Science, UPenn [sediment@sas.upenn.edu] "Bridging the Gap", Princeton U., 2" describable by: 1. Particle volume, v [L3 ]. 2.Average velocity, us , of bed load sediment [L/T]. 3. Surface
An advanced diffusion model to identify emergent research issues: the case of optoelectronic devices
Boyer, Edmond
1 An advanced diffusion model to identify emergent research issues: the case of optoelectronic of keywords in published articles. In this paper we show how emerging topics in the field of optoelectronic the identified keywords were used to technological topics in the field of optoelectronic devices
Weber, Adam
2010-03-05T23:59:59.000Z
A macroscopic-modeling methodology to account for the chemical and structural properties of fuel-cell diffusion media is developed. A previous model is updated to include for the first time the use of experimentally measured capillary pressure -- saturation relationships through the introduction of a Gaussian contact-angle distribution into the property equations. The updated model is used to simulate various limiting-case scenarios of water and gas transport in fuel-cell diffusion media. Analysis of these results demonstrate that interfacial conditions are more important than bulk transport in these layers, where the associated mass-transfer resistance is the result of higher capillary pressures at the boundaries and the steepness of the capillary pressure -- saturation relationship. The model is also used to examine the impact of a microporous layer, showing that it dominates the response of the overall diffusion medium. In addition, its primary mass-transfer-related effect is suggested to be limiting the water-injection sites into the more porous gas-diffusion layer.
Unified moving-boundary model with fluctuations for unstable diffusive growth Matteo Nicoli
Cuerno, Rodolfo
examples are found in thin-film production by chemical vapor deposition and electrochemical deposition. The model also incorporates noise terms that account for fluctuations in the diffusive and attachment that are sometimes solv- able. For instance, electrochemical deposition ECD of met- als 4,5 has been and still is 6
Quantum-corrected drift-diffusion models: Solution fixed point map and finite element approximation
Falco, Carlo de [School of Mathematical Sciences, Dublin City University, Glasnevin, Dublin 9 (Ireland); Jerome, Joseph W. [Department of Mathematics, Northwestern University, 2033 Sheridan Road, Evanston, IL 60208-2730 (United States); Sacco, Riccardo [Dipartimento di Matematica 'F.Brioschi', Politecnico di Milano, via Bonardi 9, 20133 Milano (Italy)], E-mail: riccardo.sacco@polimi.it
2009-03-20T23:59:59.000Z
This article deals with the analysis of the functional iteration, denoted Generalized Gummel Map (GGM), proposed in [C. de Falco, A.L. Lacaita, E. Gatti, R. Sacco, Quantum-Corrected Drift-Diffusion Models for Transport in Semiconductor Devices, J. Comp. Phys. 204 (2) (2005) 533-561] for the decoupled solution of the Quantum Drift-Diffusion (QDD) model. The solution of the problem is characterized as being a fixed point of the GGM, which permits the establishment of a close link between the theoretical existence analysis and the implementation of a numerical tool, which was lacking in previous non-constructive proofs [N.B. Abdallah, A. Unterreiter, On the stationary quantum drift-diffusion model, Z. Angew. Math. Phys. 49 (1998) 251-275, R. Pinnau, A. Unterreiter, The stationary current-voltage characteristics of the quantum drift-diffusion model, SIAM J. Numer. Anal. 37 (1) (1999) 211-245]. The finite element approximation of the GGM is illustrated, and the main properties of the numerical fixed point map (discrete maximum principle and order of convergence) are discussed. Numerical results on realistic nanoscale devices are included to support the theoretical conclusions.
On Similarities between Biological and Social Evolutionary Mechanisms: Mathematical Modeling
Grinin, Leonid; Markov, Alexander; Korotayev, Andrey
2013-01-01T23:59:59.000Z
of widely diffused social innovation that enhances theof widely diffused social innovation that enhances the
Standing Waves in a Two-Dimensional Reaction-Diffusion Model with the Short-Wave Instability
Epstein, Irving R.
Standing Waves in a Two-Dimensional Reaction-Diffusion Model with the Short-Wave Instability Milos 25, 1998; In Final Form: October 19, 1998 Various patterns of standing waves are found beyond the onset of the short-wave instability in a model reaction- diffusion system. These include plain
Modeling Intragranular Diffusion in Low-Connectivity Granular Media. | EMSL
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AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE:1 First Use of Energy for All Purposes (Fuel and Nonfuel),Feet) Year Jan Feb Mar Apr MayAtmospheric Optical Depth7-1D: VegetationEquipment SurfacesResource Program PreliminaryA3,0StatementsMixing UpModelingIntragranular
ISDD: A Computational Model of Particle Sedimentation, Diffusion and Target
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AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE:1 First Use of Energy for All Purposes (Fuel and Nonfuel),Feet) Year Jan Feb Mar Apr MayAtmospheric Optical Depth7-1D: Vegetation ProposedUsingFun withconfinementEtching. | EMSLthe U.S.;2cSupercomputing: TheModeling
Modeling diffusion of electrical appliances in the residential sector
McNeil, Michael A.; Letschert, Virginie E.
2009-11-22T23:59:59.000Z
This paper presents a methodology for modeling residential appliance uptake as a function of root macroeconomic drivers. The analysis concentrates on four major energy end uses in the residential sector: refrigerators, washing machines, televisions and air conditioners. The model employs linear regression analysis to parameterize appliance ownership in terms of household income, urbanization and electrification rates according to a standard binary choice (logistic) function. The underlying household appliance ownership data are gathered from a variety of sources including energy consumption and more general standard of living surveys. These data span a wide range of countries, including many developing countries for which appliance ownership is currently low, but likely to grow significantly over the next decades as a result of economic development. The result is a 'global' parameterization of appliance ownership rates as a function of widely available macroeconomic variables for the four appliances studied, which provides a reliable basis for interpolation where data are not available, and forecasting of ownership rates on a global scale. The main value of this method is to form the foundation of bottom-up energy demand forecasts, project energy-related greenhouse gas emissions, and allow for the construction of detailed emissions mitigation scenarios.
Julien Lavalle; David Maurin; Antje Putze
2015-01-22T23:59:59.000Z
Galactic Cosmic-ray (CR) transport parameters are usually constrained by the boron-to-carbon ratio. This procedure is generically plagued with degeneracies between the diffusion coefficient and the vertical extent of the Galactic magnetic halo. The latter is of paramount importance for indirect dark matter (DM) searches, because it fixes the amount of DM annihilation or decay that contributes to the local antimatter CR flux. These degeneracies could be broken by using secondary radioactive species, but the current data still have large error bars, and this method is extremely sensitive to the very local interstellar medium (ISM) properties. Here, we propose to use the low-energy CR positrons in the GeV range as another direct constraint on diffusion models. We show that the PAMELA data disfavor small diffusion halo ($L\\lesssim 3$ kpc) and large diffusion slope models, and exclude the minimal ({\\em min}) configuration (Maurin et al. 2001, Donato et al. 2004) widely used in the literature to bracket the uncertainties in the DM signal predictions. This is complementary to indirect constraints (diffuse radio and gamma-ray emissions) and has strong impact on DM searches. Indeed this makes the antiproton constraints more robust while enhancing the discovery/exclusion potential of current and future experiments, like AMS-02 and GAPS, especially in the antiproton and antideuteron channels.
Shell-shocked diffusion model for the light curve of SN2006gy
Nathan Smith; Richard McCray
2007-10-18T23:59:59.000Z
We explore a simple model for the high luminosity of SN 2006gy involving photon diffusion of shock-deposited thermal energy. The distinguishing property of the model is that the large ``stellar'' radius of 160 AU required to prevent adiabatic losses is not the true stellar radius, but rather, the radius of an opaque, unbound circumstellar envelope, created when 10 Msun was ejected in the decade before the supernova in an eruption analogous to that of eta Carinae. The supernova light is produced primarily by diffusion of thermal energy following the passage of the blast wave through this shell. This model differs from traditional models of supernova debris interacting with external CSM in that here the shell is optically thick and the escape of radiation is delayed. We show that any model attempting to account for SN2006gy's huge luminosity with radiation emitted by ongoing CSM interaction fails for the following basic reason: the CSM density required to achieve the observed luminosity makes the same circumstellar envelope opaque, forcing a thermal diffusion solution. In our model, the weaker CSM interaction giving rise to SN2006gy's characteristic Type IIn spectrum and soft X-rays is not linked to the power source of the visual continuum; instead, it arises after the blast wave breaks free of the opaque shell into the surrounding wind. While a simple diffusion model can explain the gross properties of the early light curve of SN2006gy, it predicts that the light curve must plummet rapidly at late-times, unless an additional power source is present.
Diffusive limit for the random Lorentz gas
Alessia Nota
2014-10-14T23:59:59.000Z
We review some recent results concerning the derivation of the diffusion equation and the validation of Fick's law for the microscopic model given by the random Lorentz Gas. These results are achieved by using a linear kinetic equation as an intermediate level of description between our original mechanical system and the diffusion equation.
A Conceptual Approach to Two-Scale Constitutive Modelling For Hydro-Mechanical Coupling
Giang D. Nguyen; Abbas El-Zein; Terry Bennett
2014-06-05T23:59:59.000Z
Large scale modelling of fluid flow coupled with solid failure in geothermal reservoirs or hydrocarbon extraction from reservoir rocks usually involves behaviours at two scales: lower scale of the inelastic localization zone, and larger scale of the bulk continuum where elastic behaviour can be reasonably assumed. The hydraulic conductivities corresponding to the mechanical properties at these two scales are different. In the bulk elastic host rock, the hydraulic conductivity does not vary much with the deformation, while it significantly changes in the lower scale of the localization zone due to inelastic deformation. Increase of permeability due to fracture and/or dilation, or reduction of permeability due to material compaction can take place inside this zone. The challenge is to predict the evolution of hydraulic conductivities coupled with the mechanical behaviour of the material in all stages of the deformation process. In the early stage of diffuse deformation, the permeability of the material can be reasonably assumed to be homogenous over the whole Representative Volume Element (RVE) However, localized failure results in distinctly different conductivities in different parts of the RVE. This paper establishes a general framework and corresponding field equations to describe the hydro-mechanical coupling in both diffuse and localized stages of deformation in rocks. In particular, embedding the lower scale hydro-mechanical behaviour of the localization zone inside an elastic bulk, together with their corresponding effective sizes, helps effectively deal with scaling issues in large-scale modelling. Preliminary results are presented which demonstrate the promising features of this new approach.
A Hydro-Thermo-Mechanical Numerical Model For Hdr Geothermal...
to the most hydraulically conductive fractures in two orthogonal and vertical fracture sets. The mathematical model representing the hydro-mechanical interactions that are...
Coupled Thermal-Hydrological-Mechanical-Chemical Model And Experiments...
Broader source: Energy.gov (indexed) [DOE]
Coupled Thermal-Hydrological-Mechanical-Chemical Model And Experiments For Optimization Of Enhanced Geothermal System Development And Production: Evaluation of Stimulation at the...
Gallo, Giorgio
1 A simulation model for the diffusion of a new technology in an environment populated. + , Vistori F. Â§ Abstract In this paper we propose an agentÂbased simulation model for the diffusion
Well posedness of an isothermal diffusive model for binary mixtures of incompressible fluids
A. Berti; V. Berti; D. Grandi
2010-12-12T23:59:59.000Z
We consider a model describing the behavior of a mixture of two incompressible fluids with the same density in isothermal conditions. The model consists of three balance equations: continuity equation, Navier-Stokes equation for the mean velocity of the mixture, and diffusion equation (Cahn-Hilliard equation). We assume that the chemical potential depends upon the velocity of the mixture in such a way that an increase of the velocity improves the miscibility of the mixture. We examine the thermodynamic consistence of the model which leads to the introduction of an additional constitutive force in the motion equation. Then, we prove existence and uniqueness of the solution of the resulting differential problem.
Shell Model for Atomistic Simulation of Lithium Diffusion in Mixed Mn/Ti Oxides
Kerisit, Sebastien N.; Chaka, Anne M.; Droubay, Timothy C.; Ilton, Eugene S.
2014-10-23T23:59:59.000Z
Mixed Mn/Ti oxides present attractive physicochemical properties such as their ability to accommodate Li for application in Li-ion batteries. In this work, atomic parameters for Mn were developed to extend an existing shell model of the Li-Ti-O system and allow simulations of pure and lithiated Mn and mixed Mn/Ti oxide polymorphs. The shell model yielded good agreement with experimentally-derived structures (i.e. lattice parameters and inter-atomic distances) and represented an improvement over existing potential models. The shell model was employed in molecular dynamics (MD) simulations of Li diffusion in the 1×1 c direction channels of LixMn1 yTiyO2 with the rutile structure, where 0 ? x ? 0.25 and 0 ? y ? 1. In the infinite dilution limit, the arrangement of Mn and Ti ions in the lattice was found to have a significant effect on the activation energy for Li diffusion in the c channels due to the destabilization of half of the interstitial octahedral sites. Anomalous diffusion was demonstrated for Li concentrations as low as x = 0.125, with a single Li ion positioned in every other c channel. Further increase in Li concentration showed not only the substantial effect of Li-Li repulsive interactions on Li mobility but also their influence on the time dependence of Li diffusion. The results of the MD simulations can inform intrinsic structure-property relationships for the rational design of improved electrode materials for Li-ion batteries.
Siala, F.M.F. (Center for Solar Energy Studies, Tripoli (Libya)); Hooper, F.C. (Univ. of Toronto, Ontario (Canada))
1990-01-01T23:59:59.000Z
The development of a new, semi-empirical model for the directional distribution of the diffuse radiance is reported. The proposed regression-type model, with the form of its base functions obtained from physical principles, is based on a combination of the purely physical reasoning approach and the purely empirical approach. Direct multiple-scattering calculations are circumvented through the use of the method of successive orders of scattering. The model is calibrated for the mean diffuse radiance estimated under all sky conditions reported in a large and comprehensive diffuse radiance data set. It is found that only a small increase in accuracy is gained by including higher orders of scattering, and this increase does not justify the complexity of the resulting model. Therefore, the single scattering approximation is recommended. The use of the model is illustrated in a typical application, in which the fraction of diffuse radiation intercepted by the receive of a compound parabolic concentrator is computed.
Multiclass Diffuse Interface Models for Semi-Supervised Learning on Graphs
Garcia-Cardona, Cristina; Percus, Allon G
2012-01-01T23:59:59.000Z
We present a graph-based variational algorithm for multiclass classification of high-dimensional data, motivated by total variation techniques. The energy functional is based on a diffuse interface model with a periodic potential. We augment the model by introducing an alternative measure of smoothness that preserves symmetry among the class labels. Through this modification of the standard Laplacian, we construct an efficient multiclass method that allows for sharp transitions between classes. The experimental results demonstrate that our approach is competitive with the state of the art among other graph-based algorithms.
Consistency of Ambipolar Diffusion Models with Infall in the L1544 Protostellar Core
Glenn E. Ciolek; Shantanu Basu
1999-09-25T23:59:59.000Z
Recent high-resolution studies of the L1544 protostellar core by Tafalla et al. and Williams et al. reveal the structure and kinematics of the gas. The observations of this prestellar core provide a natural test for theoretical models of core formation and evolution. Based on their results, the above authors claim a discrepancy with the implied infall motions from ambipolar diffusion models. In this paper, we reexamine the earlier ambipolar diffusion models, and conclude that the L1544 core can be understood to be a magnetically supercritical core undergoing magnetically diluted collapse. We also present a new model specifically designed to simulate the formation and evolution of the L1544 core. This model, which uses reasonable input parameters, yields mass and radial density distributions, as well as neutral and ion infall speed profiles, that are in very good agreement with physical values deduced by observations. The lifetime of the core is also in good agreement with prestellar core lifetimes estimated from statistics of an ensemble of cores. The observational input can act to constrain other currently unobserved quantities such as the degree of ionization, and the background magnetic field strength and orientation near the L1544 core.
E-Print Network 3.0 - advanced diffusion model Sample Search...
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of Michigan Collection: Geosciences 2 Oxygen self-diffusion fast-paths'' in titanite single crystals and a general method for deconvolving self-diffusion Summary:...
Rock mechanics models evaluation report. [Contains glossary
Not Available
1987-08-01T23:59:59.000Z
This report documents the evaluation of the thermal and thermomechanical models and codes for repository subsurface design and for design constraint analysis. The evaluation was based on a survey of the thermal and thermomechanical codes and models that are applicable to subsurface design, followed by a Kepner-Tregoe (KT) structured decision analysis of the codes and models. The primary recommendations of the analysis are that the DOT code be used for two-dimensional thermal analysis and that the STEALTH and HEATING 5/6 codes be used for three-dimensional and complicated two-dimensional thermal analysis. STEALTH and SPECTROM 32 are recommended for thermomechanical analyses. The other evaluated codes should be considered for use in certain applications. A separate review of salt creep models indicate that the commonly used exponential time law model is appropriate for use in repository design studies. 38 refs., 1 fig., 7 tabs.
Modeling thermal/chemical/mechanical response of energetic materials
Baer, M.R.; Hobbs, M.L.; Gross, R.J. [and others
1995-07-01T23:59:59.000Z
An overview of modeling at Sandia National Laboratories is presented which describes coupled thermal, chemical and mechanical response of energetic materials. This modeling addresses cookoff scenarios for safety assessment studies in systems containing energetic materials. Foundation work is discussed which establishes a method for incorporating chemistry and mechanics into multidimensional analysis. Finite element analysis offers the capabilities to simultaneously resolve reactive heat transfer and structural mechanics in complex geometries. Nonlinear conduction heat transfer, with multiple step finite-rate chemistry, is resolved using a thermal finite element code. Rate equations are solved element-by-element using a modified matrix-free stiff solver This finite element software was developed for the simulation of systems requiring large numbers of finite elements. An iterative implicit scheme, based on the conjugate gradient method, is used and a hemi-cube algorithm is employed for the determination of view factors in surface-to-surface radiation transfer The critical link between the reactive heat transfer and mechanics is the introduction of an appropriate constitutive material model providing a stress-strain relationship for quasi-static mechanics analysis. This model is formally derived from bubble nucleation theory, and parameter variations of critical model parameters indicate that a small degree of decomposition leads to significant mechanical response. Coupled thermal/chemical/mechanical analysis is presented which simulates experiments designed to probe cookoff thermal-mechanical response of energetic materials.
Nucleus-nucleus cold fusion reactions analyzed with the l-dependent 'fusion by diffusion' model
Cap, T.; Siwek-Wilczynska, K.; Wilczynski, J. [Institute of Experimental Physics, Faculty of Physics, University of Warsaw, Hoza 69, PL-00-681 Warsaw (Poland); Andrzej Soltan Institute for Nuclear Studies, PL-05-400 Otwock-Swierk (Poland)
2011-05-15T23:59:59.000Z
We present a modified version of the Fusion by Diffusion (FBD) model aimed at describing the synthesis of superheavy nuclei in cold fusion reactions, in which a low excited compound nucleus emits only one neutron. The modified FBD model accounts for the angular momentum dependence of three basic factors determining the evaporation residue cross section: the capture cross section {sigma}{sub cap}(l), the fusion probability P{sub fus}(l), and the survival probability P{sub surv}(l). The fusion hindrance factor, the inverse of P{sub fus}(l), is treated in terms of thermal fluctuations in the shape degrees of freedom and is expressed as a solution of the Smoluchowski diffusion equation. The l dependence of P{sub fus}(l) results from the l-dependent potential energy surface of the colliding system. A new parametrization of the distance of starting point of the diffusion process is introduced. An analysis of a complete set of 27 excitation functions for production of superheavy nuclei in cold fusion reactions, studied in experiments at GSI Darmstadt, RIKEN Tokyo, and LBNL Berkeley, is presented. The FBD model satisfactorily reproduces shapes and absolute cross sections of all the cold fusion excitation functions. It is shown that the peak position of the excitation function for a given 1n reaction is determined by the Q value of the reaction and the height of the fission barrier of the final nucleus. This fact could possibly be used in future experiments (with well-defined beam energy) for experimental determination of the fission barrier heights.
Diffusion and magnetic relaxation in model porous media Aniket Bhattacharya and S. D. Mahanti
Bhattacharya, Aniket
-dimensional analogs resemble commercially prepared Vycors and aerogels. When diffusion rates are compared for two
Quantum mechanical Hamiltonian models of the computation process
Benioff, P.
1983-01-01T23:59:59.000Z
As noted in the proceedings of this conference it is of importance to determine if quantum mechanics imposes fundamental limits on the computation process. Some aspects of this problem have been examined by the development of different types of quantum mechanical Hamiltonian models of Turing machines. (Benioff 1980, 1982a, 1982b, 1982c). Turing machines were considered because they provide a standard representation of all digital computers. Thus, showing the existence of quantum mechanical models of all Turing machines is equivalent to showing the existence of quantum mechanical models of all digital computers. The types of models considered all had different properties. Some were constructed on two-dimensional lattices of quantum spin systems of spin 1/2 (Benioff 1982b, 1982c) or higher spins (Benioff 1980). All the models considered Turing machine computations which were made reversible by addition of a history tape. Quantum mechanical models of Bennett's reversible machines (Bennett 1973) in which the model makes a copy of the computation result and then erases the history and undoes the computation in lockstep to recover the input were also developed (Benioff 1982a). To avoid technical complications all the types of models were restricted to modelling an arbitrary but finite number of computation steps.
Model to predict the mechanical behaviour of oriented rigid PVC
Miroshnychenko, Dmitri
Model to predict the mechanical behaviour of oriented rigid PVC D. J. Hitt*1 and D. Miroshnychenko2 The mechanical properties of PVC sheets can be modified substantially by both uniaxial and biaxial stretching pattern in the relationship between tensile properties of oriented PVC products and imposed strains
Schick, W.C. Jr.; Milani, S.; Duncombe, E.
1980-03-01T23:59:59.000Z
A model has been devised for incorporating into the thermal feedback procedure of the PDQ few-group diffusion theory computer program the explicit calculation of depletion and temperature dependent fuel-rod shrinkage and swelling at each mesh point. The model determines the effect on reactivity of the change in hydrogen concentration caused by the variation in coolant channel area as the rods contract and expand. The calculation of fuel temperature, and hence of Doppler-broadened cross sections, is improved by correcting the heat transfer coefficient of the fuel-clad gap for the effects of clad creep, fuel densification and swelling, and release of fission-product gases into the gap. An approximate calculation of clad stress is also included in the model.
On Similarities between Biological and Social Evolutionary Mechanisms: Mathematical Modeling
Grinin, Leonid; Markov, Alexander; Korotayev, Andrey
2013-01-01T23:59:59.000Z
of widely diffused social innovation that enhances theof widely diffused social innovation that enhances theinnovations and new elements from other societies. Social
Model-based image reconstruction from time-resolved diffusion data
Saquib, S.S. [Purdue Univ., Lafayette, IN (United States); Hanson, K.M.; Cunningham, G.S. [Los Alamos National Lab., NM (United States)
1997-02-01T23:59:59.000Z
This paper addresses the issue of reconstructing the unknown field of absorption and scattering coefficients from time-resolved measurements of diffused light in a computationally efficient manner. The intended application is optical tomography, which has generated considerable interest in recent times. The inverse problem is posed in the Bayesian framework. The maximum {ital a posteriori} (MAP) estimate is used to compute the reconstruction. We use an edge- preserving generalized Gaussian Markov random field to model the unknown image. The diffusion model used for the measurements is solved forward in time using a finite-difference approach known as the alternating-directions implicit method. This method requires the inversion of a tridiagonal matrix at each time step and is therefore of O(N) complexity, where N is the dimensionality of the image. Adjoint differentiation is used to compute the sensitivity of the measurements with respect to the unknown image. The novelty of our method lies in the computation of the sensitivity since we can achieve it in O(N) time as opposed to O(N{sup 2}) time required by the perturbation approach. We present results using simulated data to show that the proposed method yields superior quality reconstructions with substantial savings in computation.
Modeling precursor diffusion and reaction of atomic layer deposition in porous structures
Keuter, Thomas, E-mail: t.keuter@fz-juelich.de; Menzler, Norbert Heribert; Mauer, Georg; Vondahlen, Frank; Vaßen, Robert; Buchkremer, Hans Peter [Forschungszentrum Jülich, Institute of Energy and Climate Research (IEK-1), 52425 Jülich (Germany)
2015-01-01T23:59:59.000Z
Atomic layer deposition (ALD) is a technique for depositing thin films of materials with a precise thickness control and uniformity using the self-limitation of the underlying reactions. Usually, it is difficult to predict the result of the ALD process for given external parameters, e.g., the precursor exposure time or the size of the precursor molecules. Therefore, a deeper insight into ALD by modeling the process is needed to improve process control and to achieve more economical coatings. In this paper, a detailed, microscopic approach based on the model developed by Yanguas-Gil and Elam is presented and additionally compared with the experiment. Precursor diffusion and second-order reaction kinetics are combined to identify the influence of the porous substrate's microstructural parameters and the influence of precursor properties on the coating. The thickness of the deposited film is calculated for different depths inside the porous structure in relation to the precursor exposure time, the precursor vapor pressure, and other parameters. Good agreement with experimental results was obtained for ALD zirconiumdioxide (ZrO{sub 2}) films using the precursors tetrakis(ethylmethylamido)zirconium and O{sub 2}. The derivation can be adjusted to describe other features of ALD processes, e.g., precursor and reactive site losses, different growth modes, pore size reduction, and surface diffusion.
Time integration for diffuse interface models for two-phase flow
Aland, Sebastian, E-mail: sebastian.aland@tu-dresden.de
2014-04-01T23:59:59.000Z
We propose a variant of the ?-scheme for diffuse interface models for two-phase flow, together with three new linearization techniques for the surface tension. These involve either additional stabilizing force terms, or a fully implicit coupling of the Navier–Stokes and Cahn–Hilliard equation. In the common case that the equations for interface and flow are coupled explicitly, we find a time step restriction which is very different to other two-phase flow models and in particular is independent of the grid size. We also show that the proposed stabilization techniques can lift this time step restriction. Even more pronounced is the performance of the proposed fully implicit scheme which is stable for arbitrarily large time steps. We demonstrate in a Taylor-flow application that this superior coupling between flow and interface equation can decrease the computation time by several orders of magnitude.
Faith, Duane Willbern
2012-06-07T23:59:59.000Z
of VD', diffusion fluxes of Model III to Model The effect of VD' (V L /(0 S )) on the S and P concentration profiles, 2 m 0 presented in F1gure 6, was obtained by letting D equal 0. 01 and 0. 02 respectively wh1le holding V , L, and S constant...) ? &( S(K' /K i~. l) ? Y S(K /K -"'e0lj ? z INN I BI 7 I QN P IK/KSI=I. Q) ? 3I P(K. /k -=el) ? K P(K /k =?01 j Z m si m si I . =1 00 ~ I . =100. I . ~10. o o ?3 I c:o ~o LIJ ?0 m tel Cf) W c&R ?o o Z, W X O . 00 1. 00 2. 00 3. 00 %00 6...
Material-modeling and structural-mechanics aspects
Grujicic, Mica
Material-modeling and structural-mechanics aspects of the traumatic brain injury problem M for causing traumatic brain injury. Design/methodology/approach Â Two levels of blast peak overpressure were computational investigation of impact on a human skull/brain assembly. Keywords Brain, Injuries, Modeling
A mechanical approach to mean field spin models
Giuseppe Genovese; Adriano Barra
2009-05-07T23:59:59.000Z
Inspired by the bridge pioneered by Guerra among statistical mechanics on lattice and analytical mechanics on 1+1 continuous Euclidean space-time, we built a self-consistent method to solve for the thermodynamics of mean-field models defined on lattice, whose order parameters self average. We show the whole procedure by analyzing in full details the simplest test case, namely the Curie-Weiss model. Further we report some applications also to models whose order parameters do not self-average, by using the Sherrington-Kirkpatrick spin glass as a guide.
Density functional theory study of the mechanism of Li diffusion in rutile RuO{sub 2}
Jung, Jongboo; Cho, Maenghyo [WCU Program on Multiscale Mechanical Design, School of Mechanical and Aerospace Engineering, Seoul National University, Seoul 151-742 (Korea, Republic of)] [WCU Program on Multiscale Mechanical Design, School of Mechanical and Aerospace Engineering, Seoul National University, Seoul 151-742 (Korea, Republic of); Zhou, Min, E-mail: min.zhou@gatech.edu [WCU Program on Multiscale Mechanical Design, School of Mechanical and Aerospace Engineering, Seoul National University, Seoul 151-742 (Korea, Republic of) [WCU Program on Multiscale Mechanical Design, School of Mechanical and Aerospace Engineering, Seoul National University, Seoul 151-742 (Korea, Republic of); George W. Woodruff School of Mechanical Engineering, School of Materials Science and Engineering, Georgia Institute of Technology, Atlanta, Georgia 30332-0405 (United States)
2014-01-15T23:59:59.000Z
First-principle calculations are carried out to study the diffusion of Li ions in rutile structure RuO{sub 2}, a material for positive electrodes in rechargeable Li ion batteries. The calculations focus on migration pathways and energy barriers for diffusion in Li-poor and Li-rich phases using the Nudged Elastic Band Method. Diffusion coefficients estimated based on calculated energy barriers are in good agreement with experimental values reported in the literature. The results confirm the anisotropic nature of diffusion of Li ions in one-dimensional c channels along the [001] crystalline direction of rutile RuO{sub 2} and show that Li diffusion in the Li-poor phase is faster than in the Li-rich phase. The findings of fast Li diffusion and feasible Li insertion at low temperatures in the host rutile RuO{sub 2} suggest this material is a good ionic conductor for Li transport. The finding also suggests possible means for enhancing the performance of RuO{sub 2}-based electrode materials.
Dynamics of Enzyme Digestion of a Single Elastic Fiber Under Tension: An Anisotropic Diffusion Model
Ascânio D. Araújo; Arnab Majumdar; Harikrishnan Parame swaran; Béla Suki
2009-10-07T23:59:59.000Z
We study the enzymatic degradation of an elastic fiber under tension using an an isotropic random-walk model, coupled with binding-unbinding reactions that weaken the fiber. The fiber is represented by a chain of elastic springs in series, surrounded by two layers of sites along which enzyme molecules can diffuse. Through numerical simulations we show that the fiber stiffness decreases exponentially with two distinct regimes. The time constant associated with the first regime decreases with increasing applied force, which is in agreement with published experimental data. In addition, a simple mean field calculation allows us to partition the time constant into geometrical, chemical and externally controllable factors, which is corroborated by the simulations.
Phase transitions in a reaction-diffusion model on a line with boundaries
Khorrami, Mohammad, E-mail: mamwad@mailaps.org; Aghamohammadi, Amir, E-mail: mohamadi@alzahra.ac.ir [Department of Physics, Alzahra University, Tehran 19938-93973 (Iran, Islamic Republic of)] [Department of Physics, Alzahra University, Tehran 19938-93973 (Iran, Islamic Republic of)
2014-03-15T23:59:59.000Z
A one-dimensional model on a line of length L is investigated, which involves particle diffusion as well as single particle annihilation. There are also creation and annihilation at the boundaries. The static and dynamical behaviors of the system are studied. It is seen that the system could exhibit a dynamical phase transition. For small drift velocities, the relaxation time does not depend on the absorption rates at the boundaries. This is the fast phase. For large velocities, the smaller of the absorption rates at boundaries enter the relaxation rate and makes it longer. This is the slow phase. Finally, the effect of a random particle creation in the bulk is also investigated.
Measurements and modeling of soot formation and radiation in microgravity jet diffusion flames
Ku, J.C.; Tong, L. [Wayne State Univ., Detroit, MI (United States). Mechanical Engineering Dept.; Greenberg, P.S. [NASA Lewis Research Center, Cleveland, OH (United States). Microgravity Combustion Branch
1996-12-31T23:59:59.000Z
This is a computational and experimental study for soot formation and radiative heat transfer in jet diffusion flames under normal gravity (1-g) and microgravity (0-g) conditions. Instantaneous soot volume fraction maps are measured using a full-field imaging absorption technique developed by the authors. On modeling, the authors have coupled flame structure and soot formation models with detailed radiation transfer calculations. Favre-averaged boundary layer equations with a k-e-g turbulence model are used to predict the flow field, and a conserved scalar approach with an assumed {beta}-pdf are used to predict gaseous species mole fraction. Scalar transport equations are used to describe soot volume fraction and number density distributions, with formation and oxidation terms modeled by one-step rate equations and thermophoretic effects included. An energy equation is included to couple flame structure and radiation analyses through iterations, neglecting turbulence-radiation interactions. The YIX solution for a finite cylindrical enclosure is used for radiative heat transfer calculations. The spectral absorption coefficient for soot aggregates is calculated from the Rayleigh solution using complex refractive index data from a Drude-Lorentz model. The exponential-wide-band model is used to calculate the spectral absorption coefficient for H{sub 2}O and CO{sub 2}. Predicted soot volume fraction and temperature results agree well with published data for a normal gravity co-flow laminar flames and turbulent jet flames. Predicted soot volume fraction results also agree with the data for 1-g and 0-g laminar jet flames as well as 1-g turbulent jet flames.
Modelling the mechanical behaviour of pharmaceutical powders during compaction
Elliott, James
are made of dry powder through a powder compaction process. In the pharmaceutical industry, billionsModelling the mechanical behaviour of pharmaceutical powders during compaction C.-Y. Wua,T, O.M. Ruddyb , A.C. Benthamb , B.C. Hancockc , S.M. Besta , J.A. Elliotta a Pfizer Institute for Pharmaceutical
Thermal And Thermo-Mechanical Modelling of Polymer Overmoulded Electronics
Paris-Sud XI, UniversitÃ© de
electronics for use in the demanding automotive environment. A two shot moulding technology will protect of electronics within polymer materials is of great interest to the automotive industry as a means to protectThermal And Thermo-Mechanical Modelling of Polymer Overmoulded Electronics F. Sarvar1 , D. C
Mechanical modeling of porous oxide fuel pellet A Test Problem
Nukala, Phani K [ORNL; Barai, Pallab [ORNL; Simunovic, Srdjan [ORNL; Ott, Larry J [ORNL
2009-10-01T23:59:59.000Z
A poro-elasto-plastic material model has been developed to capture the response of oxide fuels inside the nuclear reactors under operating conditions. Behavior of the oxide fuel and variation in void volume fraction under mechanical loading as predicted by the developed model has been reported in this article. The significant effect of void volume fraction on the overall stress distribution of the fuel pellet has also been described. An important oxide fuel issue that can have significant impact on the fuel performance is the mechanical response of oxide fuel pellet and clad system. Specifically, modeling the thermo-mechanical response of the fuel pellet in terms of its thermal expansion, mechanical deformation, swelling due to void formation and evolution, and the eventual contact of the fuel with the clad is of significant interest in understanding the fuel-clad mechanical interaction (FCMI). These phenomena are nonlinear and coupled since reduction in the fuel-clad gap affects thermal conductivity of the gap, which in turn affects temperature distribution within the fuel and the material properties of the fuel. Consequently, in order to accurately capture fuel-clad gap closure, we need to account for fuel swelling due to generation, retention, and evolution of fission gas in addition to the usual thermal expansion and mechanical deformation. Both fuel chemistry and microstructure also have a significant effect on the nucleation and growth of fission gas bubbles. Fuel-clad gap closure leading to eventual contact of the fuel with the clad introduces significant stresses in the clad, which makes thermo-mechanical response of the clad even more relevant. The overall aim of this test problem is to incorporate the above features in order to accurately capture fuel-clad mechanical interaction. Because of the complex nature of the problem, a series of test problems with increasing multi-physics coupling features, modeling accuracy, and complexity are defined with the objective of accurate simulation of fuel-clad mechanical interaction subjected to a wide-range of thermomechanical stimuli.
Eindhoven, Technische Universiteit
. Carbon dioxide displaces the methane adsorbed on the internal surface of the coal. A production well gathers the methane as free gas. This process, known as carbon dioxide-enhanced coal bed methaneAnalysis of model equations for stress-enhanced diffusion in coal layers. Part I: Existence
Modeling and analyses of postulated UF{sub 6} release accidents in gaseous diffusion plant
Kim, S.H.; Taleyarkhan, R.P.; Keith, K.D.; Schmidt, R.W. [Oak Ridge National Lab., TN (United States); Carter, J.C. [J.C. Carter Associates, Inc., Oak Ridge, TN (United States); Dyer, R.H. [Dyer Enterprises, Oak Ridge, TN (United States)
1995-10-01T23:59:59.000Z
Computer models have been developed to simulate the transient behavior of aerosols and vapors as a result of a postulated accident involving the release of uranium hexafluoride (UF{sub 6}) into the process building of a gaseous diffusion plant. UF{sub 6} undergoes an exothermic chemical reaction with moisture (H{sub 2}O) in the air to form hydrogen fluoride (HF) and radioactive uranyl fluoride (UO{sub 2}F{sub 2}). As part of a facility-wide safety evaluation, this study evaluated source terms consisting of UO{sub 2}F{sub 2} as well as HF during a postulated UF{sub 6} release accident in a process building. In the postulated accident scenario, {approximately}7900 kg (17,500 lb) of hot UF{sub 6} vapor is released over a 5 min period from the process piping into the atmosphere of a large process building. UO{sub 2}F{sub 2} mainly remains as airborne-solid particles (aerosols), and HF is in a vapor form. Some UO{sub 2}F{sub 2} aerosols are removed from the air flow due to gravitational settling. The HF and the remaining UO{sub 2}F{sub 2} are mixed with air and exhausted through the building ventilation system. The MELCOR computer code was selected for simulating aerosols and vapor transport in the process building. MELCOR model was first used to develop a single volume representation of a process building and its results were compared with those from past lumped parameter models specifically developed for studying UF{sub 6} release accidents. Preliminary results indicate that MELCOR predicted results (using a lumped formulation) are comparable with those from previously developed models.
Diffusion model of photoaligning in azo-dye layers Vladimir Chigrinov, Sergey Pikin,* Andrey; published 18 June 2004) The model of the rotational diffusion of the azo-dye molecules under the action of polarized uv light was used to explain the formation of the photoinduced order in azo-dye layers. We
Plimpton, Steve
2005-01-01T23:59:59.000Z
Cell Modeling via Reacting Diffusive Particles Steven J. Plimpton and Alex Slepoy Sandia National-based simulator called ChemCell that we are developing with the goal of modeling the protein chemistry are represented by triangulated surfaces. Diffusing particles represent proteins, complexes, or other biomolecules
Modeling Infinite Dilution and Fickian Diffusion Coefficients of Carbon Dioxide in Water
Firoozabadi, Abbas
in enhanced oil recovery (EOR), and recovery of coal-bed methane from unmineable coal seams.3 For CO2 these temperature and pressure conditions. A general formalism for Fickian diffusion coefficients is already well
Broader source: Energy.gov [DOE]
The University of Texas at Austin, along with partners at Frontier Associates and Austin Energy, under the Solar Energy Evolution and Diffusion Studies (SEEDS) program, is developing an integrated...
Hydro-mechanical modelling of geological CO2 storage and the study of possible caprock fracture element modelling of a hypothetical underground carbon dioxide (CO2) storage operation. The hydro
An Improved Probabilistic Fracture Mechanics Model for Pressurized Thermal Shock
Dickson, T.L.
2001-10-29T23:59:59.000Z
This paper provides an overview of an improved probabilistic fracture mechanics (PFM) model used for calculating the conditional probabilities of fracture and failure of a reactor pressure vessel (RPV) subjected to pressurized-thermal-shock (PTS) transients. The updated PFM model incorporates several new features: expanded databases for the fracture toughness properties of RPV steels; statistical representations of the fracture toughness databases developed through application of rigorous mathematical procedures; and capability of generating probability distributions for RPV fracture and failure. The updated PFM model was implemented into the FAVOR fracture mechanics program, developed at Oak Ridge National Laboratory as an applications tool for RPV integrity assessment; an example application of that implementation is discussed herein. Applications of the new PFM model are providing essential input to a probabilistic risk assessment (PRA) process that will establish an improved technical basis for re-assessment of current PTS regulations by the US Nuclear Regulatory Commission (NRC). The methodology described herein should be considered preliminary and subject to revision in the PTS re-evaluation process.
Xu, Zhijie; Fang, Yilin; Scheibe, Timothy D.; Bonneville, Alain
2012-05-15T23:59:59.000Z
We present a hydro-mechanical model for geological sequestration of carbon dioxide. The model considers the poroelastic effects by taking into account the coupling between the geomechanical response and the fluid flow in greater detail. The simplified hydro-mechanical model includes the geomechanical part that relies on the linear elasticity, while the fluid flow is based on the Darcy’s law. Two parts were coupled using the standard linear poroelasticity. Analytical solutions for pressure field were obtained for a typical geological sequestration scenario. The model predicts the temporal and spatial variation of pressure field and effects of permeability and elastic modulus of formation on the fluid pressure distribution.
Sven van Teeffelen; Cristian Vasile Achim; Hartmut Löwen
2013-02-05T23:59:59.000Z
A two-dimensional crystal of repulsive dipolar particles is studied in the vicinity of its melting transition by using Brownian dynamics computer simulation, dynamical density functional theory and phase-field crystal modelling. A vacancy is created by taking out a particle from an equilibrated crystal and the relaxation dynamics of the vacancy is followed by monitoring the time-dependent one-particle density. We find that the vacancy is quickly filled up by diffusive hopping of neighbouring particles towards the vacancy center. We examine the temperature dependence of the diffusion constant and find that it decreases with decreasing temperature in the simulations. This trend is reproduced by the dynamical density functional theory. Conversely, the phase field crystal calculations predict the opposite trend. Therefore, the phase-field model needs a temperature-dependent expression for the mobility to predict trends correctly.
Surveying Diffusion in Complex Geometries. An Essay
Denis Grebenkov
2009-09-08T23:59:59.000Z
The surrounding world surprises us by the beauty and variety of complex shapes that emerge from nanometric to macroscopic scales. Natural or manufactured materials (sandstones, sedimentary rocks and cement), colloidal solutions (proteins and DNA), biological cells, tissues and organs (lungs, kidneys and placenta), they all present irregularly shaped "scenes" for a fundamental transport "performance", that is, diffusion. Here, the geometrical complexity, entangled with the stochastic character of diffusive motion, results in numerous fascinating and sometimes unexpected effects like diffusion screening or localization. These effects control many diffusion-mediated processes that play an important role in heterogeneous catalysis, biochemical mechanisms, electrochemistry, growth phenomena, oil recovery, or building industry. In spite of a long and rich history of academic and industrial research in this field, it is striking to see how little we know about diffusion in complex geometries, especially the one which occurs in three dimensions. We present our recent results on restricted diffusion. We look into the role of geometrical complexity at different levels, from boundary microroughness to hierarchical structure and connectivity of the whole diffusion-confining domain. We develop a new approach which consists in combining fast random walk algorithms with spectral tools. The main focus is on studying diffusion in model complex geometries (von Koch boundaries, Kitaoka acinus, etc.), as well as on developing and testing spectral methods. We aim at extending this knowledge and at applying the accomplished arsenal of theoretical and numerical tools to structures found in nature and industry.
DIFFUSION IN SOLIDSDIFFUSION IN SOLIDS FICK'S LAWS
Subramaniam, Anandh
Diffusion bonding To comprehend many materials related phenomenon one must understand Diffusion. The focusDIFFUSION IN SOLIDSDIFFUSION IN SOLIDS FICK'S LAWS KIRKENDALL EFFECT ATOMIC MECHANISMS Diffusion in Solids P.G. Shewmon McGraw-Hill, New York (1963) #12;Oxidation Roles of Diffusion Creep Aging
Bloemen, S; Aerts, C; Dupret, M A; Østensen, R H; Degroote, P; Müller-Ringat, E; Rauch, T
2014-01-01T23:59:59.000Z
We have computed a new grid of evolutionary subdwarf B star (sdB) models from the start of central He burning, taking into account atomic diffusion due to radiative levitation, gravitational settling, concentration diffusion, and thermal diffusion. We have computed the non-adiabatic pulsation properties of the models and present the predicted p-mode and g-mode instability strips. In previous studies of the sdB instability strips, artificial abundance enhancements of Fe and Ni were introduced in the pulsation driving layers. In our models, the abundance enhancements of Fe and Ni occur naturally, eradicating the need to use artificial enhancements. We find that the abundance increases of Fe and Ni were previously underestimated and show that the instability strip predicted by our simulations solves the so-called blue edge problem of the subdwarf B star g-mode instability strip. The hottest known g-mode pulsator, KIC 10139564, now resides well within the instability strip {even when only modes with low spherical...
On a Model of Quantum Mechanics and the Mind
J. Acacio de Barros
2014-04-16T23:59:59.000Z
In this paper I discuss Stapp's (2014) interesting proposal of using the Quantum Zeno Effect to account for the mind/matter interaction. In particular, I discuss some of the motivations for it, and then argue that, in his current version, his model is circular (a solution to this, proposed by Kathryn Laskey, is presented), insofar as the mind/matter problem is concerned. I also present an alternative approach to some of the appealing aspects of using quantum mechanics to think about consciousness.
Modeling the Q-cycle mechanism of transmembrane energy conversion
Anatoly Yu. Smirnov; Franco Nori
2011-06-29T23:59:59.000Z
The Q-cycle mechanism plays an important role in the conversion of the redox energy into the energy of the proton electrochemical gradient across the biomembrane. The bifurcated electron transfer reaction, which is built into this mechanism, recycles one electron, thus, allowing to translocate two protons per one electron moving to the high-potential redox chain. We study a kinetic model of the Q-cycle mechanism in an artificial system which mimics the bf complex of plants and cyanobacteria in the regime of ferredoxin-dependent cyclic electron flow. Using methods of condensed matter physics, we derive a set of master equations and describe a time sequence of electron and proton transfer reactions in the complex. We find energetic conditions when the bifurcation of the electron pathways at the positive side of the membrane occurs naturally, without any additional gates. For reasonable parameter values, we show that this system is able to translocate more than 1.8 protons, on average, per one electron, with a thermodynamic efficiency of the order of 32% or higher.
Kostic, Milivoje M.
and the Physics law of forced interactions will be violated, since these thermo-mechanical phenomena are neither gravitational nor nuclear interactions. Actually, the deficiency of classical Fourier heat conduction theory confirmed in nuclear reaction processes: If a nuclear reaction is carried out in a "sealed" box, then energy
correct radiative transport equation (RTE); however, it is commonly assumed that scattering lengths must. Boas An efficient computation of the time-dependent forward solution for photon transport in a head of the brain. The diffusion approximation to photon transport is much faster to simulate than the physically
Modeling of diffusion of injected electron spins in spin-orbit coupled microchannels
Zarbo, Liviu P.; Sinova, Jairo; Knezevic, I.; Wunderlich, J.; Jungwirth, T.
2010-01-01T23:59:59.000Z
We report on a theoretical study of spin dynamics of an ensemble of spin-polarized electrons injected in a diffusive microchannel with linear Rashba and Dresselhaus spin-orbit coupling. We explore the dependence of the spin-precession and spin...
Numerical Modeling of Diffusion in Fractured Media for Gas-Injection
Firoozabadi, Abbas
injection in oil reser- voirs and recycling in gas/condensate reservoirs. The physical diffusion, similar be distinctly different. For gas injection in some fractured oil reservoirs, gas preferentially goes through- sion on oil recovery in fractured reservoirs (Coats 1989; da Silva and Belery 1989; Thomas et al. 1991
N + 1 dimensional quantum mechanical model for a closed universe
T. R. Mongan
1999-02-10T23:59:59.000Z
A quantum mechanical model for an N + 1 dimensional universe arising from a quantum fluctuation is outlined. (3 + 1) dimensions are a closed infinitely-expanding universe and the remaining N - 3 dimensions are compact. The (3 + 1) non-compact dimensions are modeled by quantizing a canonical Hamiltonian description of a homogeneous isotropic universe. It is assumed gravity and the strong-electro-weak (SEW) forces had equal strength in the initial state. Inflation occurred when the compact N -3 dimensional space collapsed after a quantum transition from the initial state of the univers, during its evolution to the present state where gravity is much weaker than the SEW force. The model suggests the universe has no singularities and the large size of our present universe is determined by the relative strength of gravity and the SEW force today. A small cosmological constant, resulting from the zero point energy of the scalar field corresponding to the compact dimensions, makes the model universe expand forever.
Thermo-mechanical modeling of plasterboard lined partition submitted to fire load.
Paris-Sud XI, UniversitÃ© de
Thermo-mechanical modeling of plasterboard lined partition submitted to fire load. Authors: S.heck@cstb.fr Abstract: An important problem is the development of a thermo-mechanical model of plasterboard lined and the experimental validation of a deterministic and a probabilistic thermo-mechanical model of cardboard
Enforcement Documents - Portsmouth Gaseous Diffusion Plant |...
Broader source: Energy.gov (indexed) [DOE]
Gaseous Diffusion Plant March 26, 2010 Enforcement Letter, Geiger Brothers Mechanical Contractors, INC - March 26, 2010 Issued to Geiger Brothers Mechanical Contractors,...
Mechanical tests for validation of seismic isolation elastomer constitutive models
Kulak, R.F.; Hughes, T.H.
1992-01-01T23:59:59.000Z
High damping laminated elastomeric bearings are becoming the preferred device for seismic isolation of large buildings and structures, such as nuclear power plants. The key component of these bearings is a filled natural rubber elastomer. This material exhibits nonlinear behavior within the normal design range. The material damping cannot be classified as either viscous or hysteritic, but it seems to fall somewhere in between. This paper describes a series of tests that can be used to characterize the mechanical response of these elastomers. The tests are designed to determine the behavior of the elastomer in the time scale of the earthquake, which is typically from 30 to 60 seconds. The test results provide data for use in determining the material parameters associated with nonlinear constitutive models. 4 refs.
Mechanical tests for validation of seismic isolation elastomer constitutive models
Kulak, R.F.; Hughes, T.H.
1992-05-01T23:59:59.000Z
High damping laminated elastomeric bearings are becoming the preferred device for seismic isolation of large buildings and structures, such as nuclear power plants. The key component of these bearings is a filled natural rubber elastomer. This material exhibits nonlinear behavior within the normal design range. The material damping cannot be classified as either viscous or hysteritic, but it seems to fall somewhere in between. This paper describes a series of tests that can be used to characterize the mechanical response of these elastomers. The tests are designed to determine the behavior of the elastomer in the time scale of the earthquake, which is typically from 30 to 60 seconds. The test results provide data for use in determining the material parameters associated with nonlinear constitutive models. 4 refs.
STATISTICAL MECHANICS MODELING OF MESOSCALE DEFORMATION IN METALS
Anter El-Azab
2013-04-08T23:59:59.000Z
The research under this project focused on a theoretical and computational modeling of dislocation dynamics of mesoscale deformation of metal single crystals. Specifically, the work aimed to implement a continuum statistical theory of dislocations to understand strain hardening and cell structure formation under monotonic loading. These aspects of crystal deformation are manifestations of the evolution of the underlying dislocation system under mechanical loading. The project had three research tasks: 1) Investigating the statistical characteristics of dislocation systems in deformed crystals. 2) Formulating kinetic equations of dislocations and coupling these kinetics equations and crystal mechanics. 3) Computational solution of coupled crystal mechanics and dislocation kinetics. Comparison of dislocation dynamics predictions with experimental results in the area of statistical properties of dislocations and their field was also a part of the proposed effort. In the first research task, the dislocation dynamics simulation method was used to investigate the spatial, orientation, velocity, and temporal statistics of dynamical dislocation systems, and on the use of the results from this investigation to complete the kinetic description of dislocations. The second task focused on completing the formulation of a kinetic theory of dislocations that respects the discrete nature of crystallographic slip and the physics of dislocation motion and dislocation interaction in the crystal. Part of this effort also targeted the theoretical basis for establishing the connection between discrete and continuum representation of dislocations and the analysis of discrete dislocation simulation results within the continuum framework. This part of the research enables the enrichment of the kinetic description with information representing the discrete dislocation systems behavior. The third task focused on the development of physics-inspired numerical methods of solution of the coupled dislocation kinetics and crystal mechanics framework. To a large extent, this task has also been successfully started. We have developed a custom finite-element approach with mesh points being a subset of the underlying crystal structure. When used to predict the evolution of the dislocation system, the planar motion of dislocations is naturally captured for all slip systems, thus minimizing numerical errors and providing simple ways to investigate cross slip and dislocation reactions. Preliminary results in this direction show that we are closer than ever in building a predictive framework for dislocation dynamics and mesoscale plasticity based on the first principles of dislocation dynamics. The rest of the report gives and overview of the research performed under this project and highlights the key results and open questions left for future investigations.
A Mechanical Model for CCK-Induced Acalculous Gallbladder Pain
unknown authors
2010-01-01T23:59:59.000Z
Associate Editor Peter E. McHugh oversaw the review of this article. Abstract—This study investigates the potential correlation between acalculous biliary pain and mechanical stress during the bile-emptying phase. This study is built on the previously developed mathematical model used to estimate stress in the gallbladder wall during emptying [Li, W. G., X. Y. Luo, et al. Comput. Math. Methods Med. 9(1):27–45, 2008]. Although the total stress was correctly predicted using the previous model, the contribution from patient-specific active stress induced by the cholecystokinin (CCK) test was overlooked. In this article, we evaluate both the active and passive components of pressure in a gallbladder, which undergoes isotonic refilling, isometric contraction and emptying during the infusion of CCK. The pressure is estimated from in vivo ultrasonographical scan measurements of gallbladder emp-tying during CCK tests, assuming that the gallbladder is a thin ellipsoidal membrane. The passive stress is caused by the volume and shape changes during refilling at the gallbladder basal pressure, whereas the active stress arises from the pressure rise during the isometric gallbladder contraction after the CCK infusion. The effect on the stress estimates of the gallbladder to the liver is evaluated to be small by comparing numerical simulations of a gallbladder model with and without a rigid ‘flat top ’ boundary. The model was applied to 51 subjects, and the peak total stress was found to have a strong correlation with the pain stimulated by CCK, as measured by the patient pain score questionnaires. Consistent with our previous study for a smaller sample, it is found that the success rate in predicting of CCK-induced pain is over 75%.
BDP: BrainSuite Diffusion Pipeline
Leahy, Richard M.
BDP: BrainSuite Diffusion Pipeline Chitresh Bhushan #12; Quantify microstructural tissue ROI Connectivity ROI Statistics MPRAGE Diffusion #12;Diffusion Pipeline Dicom to NIfTI Co ROIs Custom ROIs #12;Diffusion Pipeline Dicom to NIfTI Co-registration Diffusion Modeling Tractography
Unitary dilation models of Turing machines in quantum mechanics
Benioff, P. [Environmental Assessment Division, Building 900, Argonne National Laboratory, Argonne, Illinois 60439 (United States)] [Environmental Assessment Division, Building 900, Argonne National Laboratory, Argonne, Illinois 60439 (United States)
1995-05-01T23:59:59.000Z
A goal of quantum-mechanical models of the computation process is the description of operators that model changes in the information-bearing degrees of freedom. Iteration of the operators should correspond to steps in the computation, and the final state of halting computations should be stable under iteration. The problem is that operators constructed directly from the process description do not have these properties. In general these operators annihilate the halted state. If information-erasing steps are present, there are additional problems. These problems are illustrated in this paper by consideration of operators for two simple one-step processes and two simple Turing machines. In general the operators are not unitary and, if erasing steps are present, they are not even contraction operators. Various methods of extension or dilation to unitary operators are discussed. Here unitary power dilations are considered as a solution to these problems. It is seen that these dilations automatically provide a good solution to the initial- and final-state problems. For processes with erasing steps, recording steps must be included prior to the dilation, but only for the steps that erase information. Hamiltonians for these processes are also discussed. It is noted that {ital H}, described by exp({minus}{ital iH}{Delta})={ital U}{sup {ital T}}, where {ital U}{sup {ital T}} is a unitary step operator for the process and {Delta} a time interval, has complexity problems. These problems and those noted above are avoided here by the use of the Feynman approach to constructing Hamiltonians directly from the unitary power dilations of the model operators. It is seen that the Hamiltonians so constructed have some interesting properties.
On models for viscoelastic fluid-like materials that are mechanically incompressible and
Cerveny, Vlastislav
On models for viscoelastic fluid-like materials that are mechanically incompressible and thermally of the full NavierÂStokesÂFourier system. J. Math. Fluid Mech., 11:274Â302, 2009 Mechanically incompressible;Viscoelastic fluids Â Maxwell model F l lsld Âµm m Mechanical analogue: Spring Â energy storage. Dashpot
Deployment Mechanism Design with Behavioral Modeling Based on Pro/Engineer Motion Skeleton
kind of motion mechanisms, is often used to stretch out solar panels or antennas in spacecraftDeployment Mechanism Design with Behavioral Modeling Based on Pro/Engineer Motion Skeleton Chao.com.cn Keywords: Deployment mechanism, Motion skeleton, Behavioral modeling, Feasibility analysis Abstract
Title: Hydraulic modeling of a mixed water level control hydro-mechanical gate
Paris-Sud XI, UniversitÃ© de
Title: Hydraulic modeling of a mixed water level control hydro-mechanical gate Ludovic Cassan1 Abstract: The article describes the hydraulic functioning of a mixed water level control hydro- mechanical of the model to reproduce the functioning of this complex hydro-mechanical system. CE database Subject headings
Determining the focal mechanisms of earthquakes by full waveform modeling
Busfar, Hussam A. (Hussam Abdullah)
2009-01-01T23:59:59.000Z
Determining the focal mechanism of an earthquake helps us to better characterize reservoirs, define faults, and understand the stress and strain regime. The objective of this thesis is to find the focal mechanism and depth ...
Shingledecker, Christopher N
2014-01-01T23:59:59.000Z
Research over the past four decades has shown a rich variety of complex organic molecular content in some meteorites. This current study is an attempt to gain a better insight into the thermal conditions experienced by these molecules inside meteorites during atmospheric entry. In particular, we wish to understand possible chemical processes that can occur during entry and that might have had an effect on complex organic or prebiotic species that were delivered in this way to the early Earth. A simulation was written in Fortran to model heating by the shock generated during entry and the subsequent thermal diffusion inside the body of a meteorite. Experimental data was used for the thermal parameters of several types of meteorites, including iron-nickel and several classes of chondrites. A Sutton-Graves model of stagnation-point heating was used to calculate peak surface temperatures and an explicit difference formula was used to generate thermal diffusion profiles for both chondrites and iron-nickel type met...
Belucz, Bernadett; Forgacs-Dajka, Emese
2015-01-01T23:59:59.000Z
Babcock-Leighton type solar dynamo models with single-celled meridional circulation are successful in reproducing many solar cycle features. Recent observations and theoretical models of meridional circulation do not indicate a single-celled flow pattern. We examine the role of complex multi-cellular circulation patterns in a Babcock-Leighton solar dynamo in advection- and diffusion-dominated regimes. We show from simulations that presence of a weak, second, high-latitude reverse cell speeds up the cycle and slightly enhances the poleward branch in butterfly diagram, whereas the presence of a second cell in depth reverses the tilt of butterfly wing to an anti-solar type. A butterfly diagram constructed from middle of convection zone yields a solar-like pattern, but this may be difficult to realize in the Sun because of magnetic buoyancy effects. Each of the above cases behaves similarly in higher and lower magnetic diffusivity regimes. However, our dynamo with a meridional circulation containing four cells in...
E-Print Network 3.0 - atmospheric diffusion models Sample Search...
Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)
coupling software Summary: linking the main model components of present-day Earth System models (ESMs), i.e. the atmosphere... be followed to couple ocean and atmosphere...
A Mechanical Fluid-Dynamical Model For Ground Movements At Campi...
Mechanical Fluid-Dynamical Model For Ground Movements At Campi Flegrei Caldera Jump to: navigation, search OpenEI Reference LibraryAdd to library Journal Article: A Mechanical...
Current-based 4D shape analysis for the mechanical personalization of heart models
Paris-Sud XI, UniversitÃ© de
Current-based 4D shape analysis for the mechanical personalization of heart models LoÂ¨ic Le Folgoc1. Abstract. Patient-specific models of the heart may lead to better understanding of cardiovascular diseases-mechanical model of the heart, from the kinematics of the endo- and epicardium, is presented in this paper. We use
A Mechanism-based Model for Deformation Twinning in Polycrystalline...
Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)
in Polycrystalline FCC Steel. Abstract: Deformation twinning, a common and important plastic deformation mechanism, is the key contributor to the excellent combination of...
Beckermann, Christoph
of magnitude smaller than the thermal diffusivity. Therefore, solute diffusion is often on a length scale articles [1,2]. Its most appealing feature is that ex- plicit interface tracking is avoided
Efficient Reformulation of Solid-Phase Diffusion in Physics-Based Lithium-Ion Battery Models
Subramanian, Venkat
in the solid phase. Introduction Physics based Li-ion battery models use porous electrode theory. One and their drawbacks Porous electrode models of Li-ion batteries often use approximations to eliminate the time and disadvantages when used in Li-ion battery models. For instance, the Duhamel's superposition method is the robust
Mechanisms and modeling of single-event upset
Dodd, Paul E.
1998-10-12T23:59:59.000Z
The basic mechanisms of single-event upset are reviewed, including charge collection in silicon junctions and transistors, and properties of single-event upset in CMOS static random access memory (SRAM) cells. The mechanisms are illustrated through the use of three-dimensional device and circuit simulations. Technology trends and implications for commercial devices are discussed.
N = 4 supersymmetric mechanics: Harmonic superspace as a universal tool of model-building
Ivanov, E. A., E-mail: eivanov@theor.jinr.ru [Joint Institute for Nuclear Research, Bogoliubov Laboratory of Theoretical Physics (Russian Federation)
2013-08-15T23:59:59.000Z
We overview applications of the harmonic superspace approach in models of N = 4supersymmetric mechanics, with emphasis on some recent results.
A Mechanical Model for Erosion in Copper Chemical-Mechanical Polishing
Noh, Kyungyoon
The Chemical-mechanical polishing (CMP) process is now widely employed in the ultralarge scale integration chip fabrication. Due to the continuous advances in semiconductor fabrication technology and decreasing sub-micron ...
De Luca, A.; Texier, M.; Burle, N.; Oison, V.; Pichaud, B. [Aix-Marseille Université, IM2NP UMR 7334, Faculté des Sciences et Techniques, Campus de Saint-Jérôme, Avenue Escadrille Normandie Niemen - Case 142, F-13397 Marseille Cedex (France); Portavoce, A., E-mail: alain.portavoce@im2np.fr [CNRS, IM2NP UMR 7334, Faculté des Sciences et Techniques, Campus de Saint-Jérôme, Avenue Escadrille Normandie Niemen - Case 142, F-13397 Marseille Cedex (France); Grosjean, C. [STMicroelectronics, Rousset (France)
2014-01-07T23:59:59.000Z
Two doses (10{sup 13} and 10{sup 15}?cm{sup ?2}) of tungsten (W) atoms were implanted in different Si(001) wafers in order to study W diffusion in Si. The samples were annealed or oxidized at temperatures between 776 and 960?°C. The diffusion profiles were measured by secondary ion mass spectrometry, and defect formation was studied by transmission electron microscopy and atom probe tomography. W is shown to reduce Si recrystallization after implantation and to exhibit, in the temperature range investigated, a solubility limit close to 0.15%–0.2%, which is higher than the solubility limit of usual metallic impurities in Si. W diffusion exhibits unusual linear diffusion profiles with a maximum concentration always located at the Si surface, slower kinetics than other metals in Si, and promotes vacancy accumulation close to the Si surface, with the formation of hollow cavities in the case of the higher W dose. In addition, Si self-interstitial injection during oxidation is shown to promote W-Si clustering. Taking into account these observations, a diffusion model based on the simultaneous diffusion of interstitial W atoms and W-Si atomic pairs is proposed since usual models used to model diffusion of metallic impurities and dopants in Si cannot reproduce experimental observations.
Fang, H. Z.; Shang, S. L.; Wang, Y.; Liu, Z. K. [National Energy Technology Laboratory Regional University Alliance, U.S. Department of Energy, Pittsburgh, Pennsylvania 15236 (United States); Department of Materials Science and Engineering, The Pennsylvania State University, University Park, Pennsylvania 16802 (United States); Alfonso, D.; Alman, D. E. [National Energy Technology Laboratory Regional University Alliance, U.S. Department of Energy, Pittsburgh, Pennsylvania 15236 (United States); National Energy Technology Laboratory, U.S. Department of Energy, Pittsburgh, Pennsylvania 15236 (United States); Shin, Y. K.; Zou, C. Y.; Duin, A. C. T. van [National Energy Technology Laboratory Regional University Alliance, U.S. Department of Energy, Pittsburgh, Pennsylvania 15236 (United States); Department of Mechanical and Nuclear Engineering, The Pennsylvania State University, University Park, Pennsylvania 16802 (United States); Lei, Y. K.; Wang, G. F. [National Energy Technology Laboratory Regional University Alliance, U.S. Department of Energy, Pittsburgh, Pennsylvania 15236 (United States); Department of Mechanical Engineering and Materials Science, University of Pittsburgh, Pennsylvania 15261 (United States)
2014-01-28T23:59:59.000Z
This paper is concerned with the prediction of oxygen diffusivities in fcc nickel from first-principles calculations and large-scale atomic simulations. Considering only the interstitial octahedral to tetrahedral to octahedral minimum energy pathway for oxygen diffusion in fcc lattice, greatly underestimates the migration barrier and overestimates the diffusivities by several orders of magnitude. The results indicate that vacancies in the Ni-lattice significantly impact the migration barrier of oxygen in nickel. Incorporation of the effect of vacancies results in predicted diffusivities consistent with available experimental data. First-principles calculations show that at high temperatures the vacancy concentration is comparable to the oxygen solubility, and there is a strong binding energy and a redistribution of charge density between the oxygen atom and vacancy. Consequently, there is a strong attraction between the oxygen and vacancy in the Ni lattice, which impacts diffusion.
Salvaggio, Carl
of Mechanical Draft Cooling Towers to Assist in the Extraction of their Absolute Temperature from Remote Thermal Abstract Determination of the internal temperature of a mechanical draft cooling tower (MDCT) from remotelyRadiometric Modeling of Mechanical Draft Cooling Towers to Assist in the Extraction
Thermo-mechanical model of a cardboard-plaster-cardboard composite
Paris-Sud XI, UniversitÃ© de
Thermo-mechanical model of a cardboard-plaster-cardboard composite plate submitted to fire load Mechanics laboratory, Marne-la-VallÂ´ee University, France Abstract Generally, the standard rules require with experiments in order to predict thermo- mechanical overall partition behaviour. This research is organized
3D imaging and mechanical modeling of helical buckling in Medicago truncatula plant roots
Cohen, Itai
while facing a decline in agricultural soil quality including increased mechanical impe- dance of soil3D imaging and mechanical modeling of helical buckling in Medicago truncatula plant roots Jesse L as a combination of growth-induced mechanical buckling modulated by the growth medium and a simultaneous twisting
Characterization and modeling of polysilicon MEMS chemical-mechanical polishing
Tang, Brian D. (Brian David), 1980-
2004-01-01T23:59:59.000Z
Heavily used in the manufacture of integrated circuits, chemical-mechanical polishing (CMP) is becoming an enabling technology for microelectromechanical systems (MEMS). To reliably use CMP in the manufacturing process, ...
Notes 01. Modeling of mechanical (lumped parameter) elements
San Andres, Luis
2008-01-01T23:59:59.000Z
Fundamental elements in mechanical systems: inertias, stiffness and damping elements. Equivalent spring coefficients and associated potential energy. Equivalent mass or inertia coefficients and associated kinetic energy. Equations of motion of a...
Modeling of chemical mechanical polishing for shallow trench isolation
Lee, Brian, 1975-
2002-01-01T23:59:59.000Z
This thesis presents the nonlinear analysis, design, fabrication, and testing of an axial-gap magnetic induction micro machine, which is a two-phase planar motor in which the rotor is suspended above the stator via mechanical ...
Burlatsky, S F; Gummallaa, M; Condita, D; Liua, F
2013-01-01T23:59:59.000Z
Water management in a hydrogen polymer electrolyte membrane (PEM) fuel cell is critical for performance. The impact of thermal conductivity and water vapor diffusion coefficients in a gas diffusion layer (GDL) has been studied by a mathematical model. The fraction of product water that is removed in the vapour phase through the GDL as a function of GDL properties and operating conditions has been calculated and discussed. Furthermore, the current model enables identification of conditions when condensation occurs in each GDL component and calculation of temperature gradient across the interface between different layers, providing insight into the overall mechanism of water transport in a given cell design. Water transport mode and condensation conditions in the GDL components depend on the combination of water vapor diffusion coefficients and thermal conductivities of the GDL components. Different types of GDL and water removal scenarios have been identified and related to experimentally-determined GDL proper...
An improved structural mechanics model for the FRAPCON nuclear fuel performance code
Mieloszyk, Alexander James
2012-01-01T23:59:59.000Z
In order to provide improved predictions of Pellet Cladding Mechanical Interaction (PCMI) for the FRAPCON nuclear fuel performance code, a new model, the FRAPCON Radial-Axial Soft Pellet (FRASP) model, was developed. This ...
Guin, J.A.
1998-12-31T23:59:59.000Z
The overall objective of this project was to investigate the diffusion of coal and petroleum asphaltenes in the pores of a supported catalyst. Experimental measurements together with mathematical modeling was conducted to determine how the diffusion rate of asphaltenes, as well as some model compounds, depended on molecule sizes and shapes. The process of diffusion in the pores of a porous medium may occur by several mechanisms. Hindered diffusion occurs when the sizes of the diffusion molecules are comparable to those of the porous pores through which they are diffusing. Hindered diffusion phenomena have been widely observed in catalytic hydrotreatment of asphaltenes, heavy oils, coal derived liquids, etc. Pore diffusion limitations can be greater in spent catalysts due to the deposition of coke and metals in the pores. In this work, a general mathematical model was developed for the hindered diffusion-adsorption of solute in a solvent onto porous materials, e. g. catalysts, from a surrounding bath. This diffusion model incorporated the nonuniformities of pore structures in the porous media. A numerical method called the Method of Lines was used to solve the nonlinear partial differential equations resulting from the mathematical model. The accuracy of the numerical solution was verified by both a mass balance in the diffusion system and satisfactory agreement with known solutions in several special cases.
Microviscometric studies on thermal diffusion
Reyna, Eddie
2012-06-07T23:59:59.000Z
HICROVISCKStTRIC STUDIES THERMAL DIFFUSION A Thesis Eddie Reyfls Submitted to the Grsducte School of the Agricultursl sfld Mechanical College of Texas in partisl fulfillment of the requireeeflts far the degree of MASTER OF SCIENCE August... microliter samples to 1'/ reproduceability, This equipment is used to observe the thermal diffusion effects of polystyrene in toluene solutions in c 01uslus-Dickel thermal diffusion column. An inversion in the values of concentration and molecular veight...
Zeng, Yi
Mathematical models of batteries which make use of the intercalation of a species into a solid phase need to solve the corresponding mass transfer problem. Because solving this equation can significantly add to the ...
Shattow, Genevieve M; Bibiano, Antonio
2015-01-01T23:59:59.000Z
With the installation of the Cosmic Origins Spectrograph on the Hubble Space Telescope, measurements of the metal content of the low redshift intergalactic medium (IGM) are now available. Using a new grid-based model for diffuse gas coupled to the SAGE semi-analytic model of galaxy formation, we examine the impact of supernova feedback on the pollution of the IGM. We consider different assumptions for the reheating and ejection of gas by supernovae and their dependence on galaxy circular velocity and gas surface density. Where metals are present, we find the most likely metallicity to be $-1.5 < $log$_{10}$(Z/Z$_{\\odot}$)$< -1.0$ at $z = 0$, consistent with both observations and more sophisticated hydrodynamic simulations. Our model predicts that the regions of the IGM with the highest metallicities will be near galaxies with M$_{\\star} \\sim 10^{10.5}h^{-1}$M$_{\\odot}$ and in environments of densities $\\sim 10 \\times$ the mean. We also find that 90% of IGM metals at $z = 0$ are ejected by galaxies with ...
Long-range dispersion and spatial diffusion of fault waves in the Burridge-Knopoff earthquake model
Alain M. Dikandé
2004-02-13T23:59:59.000Z
The Burridge-Knopoff model of earthquakes has recently gained increased interest for the consistency of the predicted energy released by sismic faults, with the Gutenberg-Richter scaling law. The present work suggests an improvement of this model to account for long-range dispersions and large spatial diffusion of sismic faults. An enhancement of the threshold speed of shock waves driven by translated fault fronts is pointed out and shown to result from the interactions between components of the system situated far aways them and others. Due to the enhanced threshold speed, size of the sismic fault gets increased but a control effect can still be gained from tunable dispersion extent irrespective of the total length of the system. To the viewpoint of the Burridge-Knopoff block-lattice model, this last consideration introduces the possibility of sizable but finite interactions among infinitely aligned massive blocks. Implications on the fault wave propagation are examined by numerical simulations of the improved nonlinear partial differential equation.
CoEvolutionary Incremental Modelling of Robotic Cognitive Mechanisms
Trahanias, Panos
, trahania}@ics.forth.gr Abstract. Recently, brain models attempt to support cognitive abili- ties work introduces a novel com- putational framework for incremental brain modelling, which aims properly formulated neural agents to represent brain areas. A collaborative coevolutionary method
Efficient Probabilistic Model Personalization Integrating Uncertainty on Data and Parameters of the clinical data used to adjust the model parameters (personalization), and the difficulty in modeling in quantifying the impact of the data characteristics on the personalization (and thus prediction) results
RIS-M-2361 DESCRIPTION OF THE RIS PUFF DIFFUSION MODEL
for industrial operations and construction planning. The dispersion of such atmospheric pollutants is commonly-dimensional model simulates the release of Gaussian pollutant puffs and predicts their concentration mixing depth have been considered. INIS descriptors; ADVECTION; AIR POLLUTION; BOUNDARY LAYERS; CLUSTER
Multi-factor jump-diffusion models of electricity Thilo MEYER-BRANDIS
features of electricity prices with a particular attention to the European energy ex- changes and develop a statistical procedure for estimat- ing the sum-OU model from data. Key Words: electricity prices is therefore necessary for energy risk management, pricing of electricity-related options and evaluation
Internship Parallel Computer Evaluation Parallelization of a Lagrangian Particle Diffusion Model
use case is a nuclear accident like a core meltdown at a atomic power plant, where atomic radiation emits in the air. The Lagrangian model can predict how the nuclear cloud spreads under different that will be computed. Particle: One single molecule floating in the wind field. Compute unit: One unit that runs
Computational implementation of the multi-mechanism deformation coupled fracture model for salt
Koteras, J.R.; Munson, D.E.
1996-05-01T23:59:59.000Z
The Multi-Mechanism Deformation (M-D) model for creep in rock salt has been used in three-dimensional computations for the Waste Isolation Pilot Plant (WIPP), a potential waste, repository. These computational studies are relied upon to make key predictions about long-term behavior of the repository. Recently, the M-D model was extended to include creep-induced damage. The extended model, the Multi-Mechanism Deformation Coupled Fracture (MDCF) model, is considerably more complicated than the M-D model and required a different technology from that of the M-D model for a computational implementation.
Modeling biofilms with dual extracellular electron transfer mechanisms...
Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)
to utilize both simultaneously. The model was applied to Shewanella oneidensis and Geobacter sulfurreducens biofilms using experimentally generated data found the literature....
Coupled Thermal-Hydrological-Mechanical-Chemical Model And Experiments...
Broader source: Energy.gov (indexed) [DOE]
of mechanistic crack growth and grain contact models for chemically induced subcritical crack growth and pressure solution, with porosity-permeability changes * Conduct...
Coupled Thermal-Hydrological-Mechanical-Chemical Model and Experiments...
Broader source: Energy.gov (indexed) [DOE]
of mechanistic crack growth and grain contact models for chemically induced subcritical crack growth and pressure solution, with porosity-permeability changes * Conduct...
van der Zwaan, Bob; Rosler, Hilke; Kober, Tom; Aboumahboub, Tino; Calvin, Katherine V.; Gernaat, David; Marangoni, Giacomo; McCollum, David
2013-11-01T23:59:59.000Z
We investigate the long-term global energy technology diffusion patterns required to reach a stringent climate change target with a maximum average atmospheric temperature increase of 2°C. If the anthropogenic temperature increase is to be limited to 2°C, total CO2 emissions have to be reduced massively, so as to reach substantial negative values during the second half of the century. Particularly power sector CO2 emissions should become negative from around 2050 onwards according to most models used for this analysis in order to compensate for GHG emissions in other sectors where abatement is more costly. The annual additional capacity deployment intensity (expressed in GW/yr) for solar and wind energy until 2030 needs to be around that recently observed for coal-based power plants, and will have to be several times higher in the period 2030–2050. Relatively high agreement exists across models in terms of the aggregated low-carbon energy system cost requirements on the supply side until 2050, which amount to about 50 trillion US$.
Shang, Yu; Lin, Yu; Yu, Guoqiang, E-mail: guoqiang.yu@uky.edu [Department of Biomedical Engineering, University of Kentucky, Lexington, Kentucky 40506 (United States); Li, Ting [Department of Biomedical Engineering, University of Kentucky, Lexington, Kentucky 40506 (United States); State Key Laboratory for Electronic Thin Film and Integrated Device, University of Electronic Science and Technology of China, Chengdu 610054 (China); Chen, Lei; Toborek, Michal [Department of Neurosurgery, University of Kentucky, Lexington, Kentucky 40536 (United States)
2014-05-12T23:59:59.000Z
Conventional semi-infinite solution for extracting blood flow index (BFI) from diffuse correlation spectroscopy (DCS) measurements may cause errors in estimation of BFI (?D{sub B}) in tissues with small volume and large curvature. We proposed an algorithm integrating Nth-order linear model of autocorrelation function with the Monte Carlo simulation of photon migrations in tissue for the extraction of ?D{sub B}. The volume and geometry of the measured tissue were incorporated in the Monte Carlo simulation, which overcome the semi-infinite restrictions. The algorithm was tested using computer simulations on four tissue models with varied volumes/geometries and applied on an in vivo stroke model of mouse. Computer simulations shows that the high-order (N???5) linear algorithm was more accurate in extracting ?D{sub B} (errors?models. Although adding random noises to DCS data resulted in ?D{sub B} variations, the mean values of errors in extracting ?D{sub B} were similar to those reconstructed from the noise-free DCS data. In addition, the errors in extracting the relative changes of ?D{sub B} using both linear algorithm and semi-infinite solution were fairly small (errors?
Mechanical modeling of the plastic bonded explosive LX17
Clayton, Kyle Martin
2001-01-01T23:59:59.000Z
are ellipsoidal does not match LX17, which has particles with sharp corners. These corners result in stress concentrations that cannot be accounted for with a model of this type. The model to be used in this study is Hashin's composite spheres model... appear to hold only when the volume fraction is small. Hashin proposes that when the volume fraction approaches unity, the roles of the matrix and the inclusions could be swttched (Hashin, 1962). This does not seem reasonable in the case of LX17 since...
Assessment of reduced mechanisms using One Dimensional Stochastic Turbulence model
Chien, Li-Chun
2010-01-01T23:59:59.000Z
turbulence model for a syngas jet flame. Proceeding of FallKerstein 2002), a turbulent syngas (CO/H2/NO) jet flame wasand DNS results of the syngas jet flame was recently done
Eaglesham, D.J.; Stolk, P.A.; Cheng, J.Y.; Gossmann, H.J.; Poate, J.M. [AT and T Bell Labs., Murray Hill, NJ (United States); Haynes, T.E. [Oak Ridge National Lab., TN (United States). Solid State Div.
1995-04-01T23:59:59.000Z
Ion implantation is used at several critical stages of Si integrated circuit manufacturing. The authors show how {l_brace}311{r_brace} defects arising after implantation are responsible for both enhanced dopant diffusion during annealing, and stable dislocations post-anneal. They observe {l_brace}311{r_brace} defects in the earliest stages of an anneal. They subsequently undergo rapid Ostwald ripening and evaporation. At low implant doses evaporation dominates, and they can quantitatively relate the interstitials emitted from these defects to the transient enhancement in diffusivity of dopants such as B and P. At higher doses Ostwald ripening is significant, and they observe the defects to undergo a series of unfaulting reactions to form both Frank loops and perfect dislocations. They demonstrate the ability to control both diffusion and dislocations by the addition of small amounts of carbon impurities.
A poroplastic model for hygro-chemo-mechanical damage of concrete M. Cuomo & A. Nicolosi
Paris-Sud XI, UniversitÃ© de
and to the prediction of long term response of concrete constructions. The crystalline and porous microstruc- tureA poroplastic model for hygro-chemo-mechanical damage of concrete M. Cuomo & A. Nicolosi Department an analytical model for calcium leaching of concrete due to water. The model is set in the framework
Coal thermolysis modeling: The effects of restricted diffusion on thermal reaction pathways
Buchanan, A.C. III; Britt, P.F.; Biggs, C.A.
1989-01-01T23:59:59.000Z
The technique of model compound immobilization by covalent surface attachment is being employed to investigate the potential impact of restricted diffusional mobility on the thermal reactivity of coal. This restricted mobility may be imposed in coal as a consequence of its cross-linked, macromolecular structure. A detailed study of the thermolysis of surface-immobilized bibenzyl showed that the rate of unimolecular C-C homolysis is similar to that in fluid phases. Recent studies have foucused on the thermally induced, free radical chain decomposition reactions for surface-immobilized 1,3-diphenylpropane and 1,4-diphenylbutane. For 1,4-diphenylbutane both the reaction rate and product composition are strongly dependent on surface coverage and, hence, the proximity of 1.4-diphenylbutane molecules and hydrogen abstracting radicals on the surface. The rates and selectivities of these key bimolecular reaction steps on the surface might also be affected by the structure of neighboring molecules. In the current study, we are beginning to probe this feature by examining the influence of the structure of co-attached aromatic molecules such as biphenyl and diphenylmethane on the reaction rate and regioselectivity in the thermolysis of 1,4-diphenylbutane. 7 refs. , 1 fig., 2 tabs.
Vibration Stabilization of a Mechanical Model of a X-Band Linear Collider Final Focus Magnet
Frisch, Josef; Chang, Allison; Decker, Valentin; Doyle, Eric; Eriksson, Leif; Hendrickson, Linda; Himel, Thomas; Markiewicz, Thomas; Partridge, Richard; Seryi, Andrei; /SLAC
2006-09-28T23:59:59.000Z
The small beam sizes at the interaction point of a X-band linear collider require mechanical stabilization of the final focus magnets at the nanometer level. While passive systems provide adequate performance at many potential sites, active mechanical stabilization is useful if the natural or cultural ground vibration is higher than expected. A mechanical model of a room temperature linear collider final focus magnet has been constructed and actively stabilized with an accelerometer based system.
Grün, G., E-mail: gruen@am.uni-erlangen.de; Klingbeil, F.
2014-01-15T23:59:59.000Z
In this paper, we present a numerical scheme for the diffuse-interface model in [3] for two-phase flow of immiscible, incompressible fluids. As that model is in particular consistent with thermodynamics, energy estimates are expected to carry over to the discrete setting. By a subtle discretization of the convective coupling with the flux of the phase-field in the momentum equation, we prove discrete consistency with thermodynamics. Numerical experiments in two spatial dimensions – ranging from Rayleigh–Taylor instability to a comparison with previous modeling approaches – indicate the full practicality of our scheme and enable a first validation of the new modeling approach in [3].
A First-Order Mechanical Device to Model Traumatized Craniovascular
. This secondary response, in turn, causes cell death and potentially permanent impairment, all of which is further exacerbated by au- toregulatory dysfunction. Recovery is unpredictable and most cognitive improvement comes, but the endpoint for partial or full recovery is unknown. Modeling of injury causation and the resulting
Krasheninnikov, Arkady V.
Carbon Nanotube Mats and Fibers with Irradiation-Improved Mechanical Characteristics: ATheoretical model to calculate mechanical characteristics of macroscopic mats and fibers of single-walled carbon-flow technique [4]. The SWNT fibers, which in contrast to most ordinary carbon fibers could be strongly bent with
Multiscale Modeling of TiO2 Nanoparticle Production in Flame Reactors: Effect of Chemical Mechanism
Raman, Venkat
Multiscale Modeling of TiO2 Nanoparticle Production in Flame Reactors: Effect of Chemical Mechanism and Engineering Mechanics, The UniVersity of Texas, Austin, Texas 78712 For titanium dioxide (TiO2) nanoparticles, catalysis, energy, and semiconductors. Titanium dioxide (TiO2) nanoparticles are traditionally used
Identifying Mathematical Models of the Mechanically Ventilated Lung Using Equation Discovery
Kersting, Kristian
of the respiratory system. Equation Discovery systems extract mathematical models from observed time series data knowledge. We introduce a modification of this system and apply it to data obtained during mechanical behavior of the respiratory sys- tem under the condition of mechanical ventilation. During the last decades
Boerner, A. J. [Oak Ridge Institute for Science and Education (ORISE), Oak Ridge, TN (United States). Independent Environmental Assessment and Verification Program; Maldonado, D. G. [Oak Ridge Institute for Science and Education (ORISE), Oak Ridge, TN (United States). Independent Environmental Assessment and Verification Program; Hansen, Tom [Ameriphysics, LLC (United States)
2012-09-01T23:59:59.000Z
Environmental assessments and remediation activities are being conducted by the U.S. Department of Energy (DOE) at the Paducah Gaseous Diffusion Plant (PGDP), Paducah, Kentucky. The Oak Ridge Institute for Science and Education (ORISE), a DOE prime contractor, was contracted by the DOE Portsmouth/Paducah Project Office (DOE-PPPO) to conduct radiation dose modeling analyses and derive single radionuclide soil guidelines (soil guidelines) in support of the derivation of Authorized Limits (ALs) for 'DOE-Owned Property Outside the Limited Area' ('Property') at the PGDP. The ORISE evaluation specifically included the area identified by DOE restricted area postings (public use access restrictions) and areas licensed by DOE to the West Kentucky Wildlife Management Area (WKWMA). The licensed areas are available without restriction to the general public for a variety of (primarily) recreational uses. Relevant receptors impacting current and reasonably anticipated future use activities were evaluated. In support of soil guideline derivation, a Conceptual Site Model (CSM) was developed. The CSM listed radiation and contamination sources, release mechanisms, transport media, representative exposure pathways from residual radioactivity, and a total of three receptors (under present and future use scenarios). Plausible receptors included a Resident Farmer, Recreational User, and Wildlife Worker. single radionuclide soil guidelines (outputs specified by the software modeling code) were generated for three receptors and thirteen targeted radionuclides. These soil guidelines were based on satisfying the project dose constraints. For comparison, soil guidelines applicable to the basic radiation public dose limit of 100 mrem/yr were generated. Single radionuclide soil guidelines from the most limiting (restrictive) receptor based on a target dose constraint of 25 mrem/yr were then rounded and identified as the derived soil guidelines. An additional evaluation using the derived soil guidelines as inputs into the code was also performed to determine the maximum (peak) dose for all receptors. This report contains the technical basis in support of the DOE?s derivation of ALs for the 'Property.' A complete description of the methodology, including an assessment of the input parameters, model inputs, and results is provided in this report. This report also provides initial recommendations on applying the derived soil guidelines.
Lee, Sang Hoon
2012-02-14T23:59:59.000Z
, changing rock permeability. In this work, two- and three-dimensional finite element methods were developed to simulate coupled reservoirs with damage mechanics and stress-dependent permeability. The model considers the influence of fluid flow, temperature...
Sheng, Nuo, 1977-
2006-01-01T23:59:59.000Z
Polymer/clay nanocomposites have been observed to exhibit enhanced thermal/mechanical properties at low weight fractions (We) of clay. Continuum-based composite modeling reveals that the enhanced properties are strongly ...
Mechanical Systems on an almost Kähler model of a Finsler Manifold
Mehmet Tekkoyun; O?uzhan Çelik
2012-11-06T23:59:59.000Z
In this study, we present a new analogue of Euler-Lagrange and Hamilton equations on an almost K\\"ahler model of a Finsler manifold. Also, we give some corollories about the related mechanical systems and equations.
Haldar, Krishnendu 1978-
2012-12-06T23:59:59.000Z
Magnetic shape memory alloys (MSMAs) are a class of active materials that de- form under magnetic and mechanical loading conditions. This work is concerned with the modeling of MSMAs constitutive responses. The hysteretic magneto...
A Continuum Coupled Moisture-mechanical Constitutive Model for Asphalt Concrete
Shakiba, Maryam
2013-12-09T23:59:59.000Z
constitutive relationships are implemented in the Pavement Analysis using Nonlinear Damage Approach (PANDA) finite element (FE) package to model the moisture damage effect on the complex environmental-mechanical response of asphalt concrete. The developed...
Application of the 3-D Hydro-Mechanical Model GEOFRAC in enhanced geothermal systems
Vecchiarelli, Alessandra
2013-01-01T23:59:59.000Z
GEOFRAC is a three-dimensional, geology-based, geometric-mechanical, hierarchical, stochastic model of natural rock fracture systems. The main characteristic of GEOFRAC is that it is based on statistical input representing ...
Prinja, A.K.
1998-09-01T23:59:59.000Z
In this work, it has been shown that, for the given sets of parameters (transport coefficients), the Tangent-Predictor (TP) continuation method, which was used in the coarsest grid, works remarkably well. The problems in finding an initial guess that resides well within Newton`s method radius of convergence are alleviated by correcting the initial guess by the predictor step of the TP method. The TP method works well also in neutral gas puffing and impurity simulations. The neutral gas puffing simulation is performed by systematically increasing the fraction of puffing rate according to the TP method until it reaches a desired condition. Similarly, the impurity simulation characterized by using the fraction of impurity density as the continuation parameter, is carried out in line with the TP method. Both methods show, as expected, a better performance than the classical embedding (CE) method. The convergence criteria {epsilon} is set to be 10{sup {minus}9} based on the fact that lower value of {epsilon} does not alter the solution significantly. Correspondingly, the number of Newton`s iterations in the corrector step of the TP method decrease substantially, an extra point in terms of code speed. The success of the TP method enlarges the possibility of including other sets of parameters (operations and physics). With the availability of the converged coarsest grid solution, the next forward step to the multigrid cycle becomes possible. The multigrid method shows that the memory storage problems that plagued the application of Newton`s method on fine grids, are of no concern. An important result that needs to be noted here is the performance of the FFCD model. The FFCD model is relatively simple and is based on the overall results the model has shown to predict different divertor plasma parameters. The FFCD model treats exactly the implementation of the deep penetration of energetic neutrals emerging from the divertor plate. The resulting ionization profiles are relatively smooth as a consequence of the less localized recycling, leading to an improved convergence rate of the numerical algorithm. Peak plasma density is lower and the temperature correspondingly higher than those predicted by the standard diffusion model. It is believed that the FFCD model is more accurate. With both the TP continuation and multigrid methods, the author has demonstrated the robustness of these two methods. A mutually beneficial hybridization between the TP method and multigrid methods is clearly an alternative for edge plasma simulation. While the fundamental transport model considered in this work has ignored important physics such as drifts and currents, he has nevertheless demonstrated the versatility and robustness of the numerical scheme to handle such new physics. The application of gaseous-radiative divertor model in this work is just a beginning and up to this point numerically, the future is exciting.
Turing instability in reaction-diffusion systems with nonlinear diffusion
Zemskov, E. P., E-mail: zemskov@ccas.ru [Russian Academy of Sciences, Dorodnicyn Computing Center (Russian Federation)
2013-10-15T23:59:59.000Z
The Turing instability is studied in two-component reaction-diffusion systems with nonlinear diffusion terms, and the regions in parametric space where Turing patterns can form are determined. The boundaries between super- and subcritical bifurcations are found. Calculations are performed for one-dimensional brusselator and oregonator models.
Paris-Sud XI, UniversitÃ© de
with a probabilistic modeling of the thermo-mechanical behavior of cardboard-plaster-cardboard (CPC) multilayer plates resistance, cardboard-plaster-cardboard multilayer, un- certainties, probabilistic model, experiments presented in the last section. A plasterboard (cardboard-plaster-cardboard (CPC) multiplayer) gives
A non-isothermal PEM fuel cell model including two water transport mechanisms in the
Münster, Westfälische Wilhelms-Universität
A non-isothermal PEM fuel cell model including two water transport mechanisms in the membrane K Freiburg Germany A dynamic two-phase flow model for proton exchange mem- brane (PEM) fuel cells and the species concentrations. In order to describe the charge transport in the fuel cell the Poisson equations
Ice sheets and their dynamics Continuum thermo-mechanical model of a glacier
Cerveny, Vlastislav
Ice sheets and their dynamics Continuum thermo-mechanical model of a glacier Shallow Ice Approximation (SIA) SIA-I Iterative Improvement Technique Benchmarks Numerical modeling of ice-sheet dynamics and Cartography, Zdiby 1.6.2010 Ondej Soucek Ph.D. defense #12;Ice sheets and their dynamics Continuum thermo
Mechanical Degradation Onset of Polyethylene Oxide Used as a Hydrosoluble Model Polymer
Boyer, Edmond
Mechanical Degradation Onset of Polyethylene Oxide Used as a Hydrosoluble Model Polymer Degradation Onset of Polyethylene Oxide Used as a Hydrosoluble Model Polymer for Enhanced Oil Recovery and for both dilute and semi dilute polyethylene oxide aqueous solutions. It reveals that the exponent k
Department of Mechanical Engineering Spring 2013 CFD Model of a Gypsum Mixer
Demirel, Melik C.
PENNSTATE Department of Mechanical Engineering Spring 2013 CFD Model of a Gypsum Mixer Overview This project, in continuation of last semester's team, intends to create a computational fluid dynamic (CFD) model of the fluid flow inside CertainTeed Gypsum's gypsum mixer. Currently, the mixer outputs locally
A flow resistance model for assessing the impact of vegetation on flood routing mechanics
Katul, Gabriel
control in urban storm water runoff [Kirby et al., 2005], and linking tidal hydrodynamic forcing to flow and field studies. The proposed model asymptotically recovers the flow resistance formulation when the waterA flow resistance model for assessing the impact of vegetation on flood routing mechanics Gabriel G
Paris-Sud XI, UniversitÃ© de
331 Phenomenological modelling of viscoplasticity E. Krempl Mechanics of Materials Laboratory. - The essentials of phenomenological modeling of metal deformation behavior at small strain are introduced together interpreted from a materials science viewpoint are re-analyzed from a phenomenological point of view
P. Evesque
2005-07-04T23:59:59.000Z
It has been proposed recently a new incremental modelling to describe the mechanics of soil. It is based on two parameters called the pseudo Young modulus E=1/Co and the pseudo Poisson coefficient n, which both evolve during compression. Evolution of n is known since it shall fit the Rowe's law of dilatancy, but Co has to be evaluated from experiment. In this paper we proposed a way to evaluate the Co variation from other mechanical modelling. The way cyclic behaviour of drained sample can be modelled is also described.
Understanding Creep Mechanisms in Graphite with Experiments, Multiscale Simulations, and Modeling
Eapen, Jacob; Murty, Korukonda; Burchell, Timothy
2014-06-02T23:59:59.000Z
Disordering mechanisms in graphite have a long history with conflicting viewpoints. Using Raman and x-ray photon spectroscoy, electron microscopy, x-ray diffraction experiments and atomistic modeling and simulations, the current project has developed a fundamental understanding of early-to-late state radiation damage mechanisms in nuclear reactor grade graphite (NBG-18 and PCEA). We show that the topological defects in graphite play an important role under neutron and ion irradiation.
Vajda, Sandor
EK424 THERMODYNAMICS AND STATISTICAL MECHANICS (Fall 2013) Thermodynamics is the study in order to take place? We will study the thermodynamics of two types of processes: mechanical, or the chemical conversion of glucose into useful work), and a good understanding of thermodynamics is essential
Vajda, Sandor
EK424 THERMODYNAMICS AND STATISTICAL MECHANICS (Spring 2013) Thermodynamics is the study in order to take place? We will study the thermodynamics of two types of processes: mechanical, or the chemical conversion of glucose into useful work), and a good understanding of thermodynamics is essential
Boyer, Edmond
mechanical model is especially needed in the analysis of damage, aging and degradation phenomena. Following identified by Ortiz (1985), whose model, based on mixture the- ory and damage mechanics, met most Mechanics, introducing phenomenological damage variables. Although damage is inherently a non isotropic
Fully coupled thermal-mechanical-fluid flow model for nonliner geologic systems
Hart, R.D.
1981-01-01T23:59:59.000Z
A single model is presented which describes fully coupled thermal-mechanical-fluid flow behavior of highly nonlinear, dynamic or quasistatic, porous geologic systems. The mathematical formulation for the model utilizes the continuum theory of mixtures to describe the multiphase nature of the system, and incremental linear constitutive theory to describe the path dependency of nonlinear material behavior. The model, incorporated in an explicit finite difference numerical procedure, was implemented in two different computer codes. A special-purpose one-dimensional code, SNEAKY, was written for initial validation of the coupling mechanisms and testing of the coupled model logic. A general purpose commercially available code, STEALTH, developed for modeling dynamic nonlinear thermomechanical processes, was modified to include fluid flow behavior and the coupling constitutive model. The fully explicit approach in the coupled calculation facilitated the inclusion of the coupling mechanisms and complex constitutive behavior. Analytical solutions pertaining to consolidation theory for soils, thermoelasticity for solids, and hydrothermal convection theory provided verification of stress and fluid flow, stress and conductive heat transfer, and heat transfer and fluid flow couplings, respectively, in the coupled model. A limited validation of the adequacy of the coupling constitutive assumptions was also performed by comparison with the physical response from two laboratory tests. Finally, the full potential of the coupled model is illustrated for geotechnical applications in energy-resource related areas. Examples in the areas of nuclear waste isolation and cut-and-fill mining are cited.
Som, S; Longman, D. E.; Luo, Z; Plomer, M; Lu, T; Senecal, P.K.; Pomraning, E (Energy Systems); (Univ. of Connecticut); (CONVERGENT Science)
2012-01-01T23:59:59.000Z
Combustion in direct-injection diesel engines occurs in a lifted, turbulent diffusion flame mode. Numerous studies indicate that the combustion and emissions in such engines are strongly influenced by the lifted flame characteristics, which are in turn determined by fuel and air mixing in the upstream region of the lifted flame, and consequently by the liquid breakup and spray development processes. From a numerical standpoint, these spray combustion processes depend heavily on the choice of underlying spray, combustion, and turbulence models. The present numerical study investigates the influence of different chemical kinetic mechanisms for diesel and biodiesel fuels, as well as Reynolds-averaged Navier-Stokes (RANS) and large eddy simulation (LES) turbulence models on predicting flame lift-off lengths (LOLs) and ignition delays. Specifically, two chemical kinetic mechanisms for n-heptane (NHPT) and three for biodiesel surrogates are investigated. In addition, the RNG k-{epsilon} (RANS) model is compared to the Smagorinsky based LES turbulence model. Using adaptive grid resolution, minimum grid sizes of 250 {micro}m and 125 {micro}m were obtained for the RANS and LES cases respectively. Validations of these models were performed against experimental data from Sandia National Laboratories in a constant volume combustion chamber. Ignition delay and flame lift-off validations were performed at different ambient temperature conditions. The LES model predicts lower ignition delays and qualitatively better flame structures compared to the RNG k-{epsilon} model. The use of realistic chemistry and a ternary surrogate mixture, which consists of methyl decanoate, methyl 9-decenoate, and NHPT, results in better predicted LOLs and ignition delays. For diesel fuel though, only marginal improvements are observed by using larger size mechanisms. However, these improved predictions come at a significant increase in computational cost.
Failure Predictions for VHTR Core Components using a Probabilistic Contiuum Damage Mechanics Model
Fok, Alex
2013-10-30T23:59:59.000Z
The proposed work addresses the key research need for the development of constitutive models and overall failure models for graphite and high temperature structural materials, with the long-term goal being to maximize the design life of the Next Generation Nuclear Plant (NGNP). To this end, the capability of a Continuum Damage Mechanics (CDM) model, which has been used successfully for modeling fracture of virgin graphite, will be extended as a predictive and design tool for the core components of the very high- temperature reactor (VHTR). Specifically, irradiation and environmental effects pertinent to the VHTR will be incorporated into the model to allow fracture of graphite and ceramic components under in-reactor conditions to be modeled explicitly using the finite element method. The model uses a combined stress-based and fracture mechanics-based failure criterion, so it can simulate both the initiation and propagation of cracks. Modern imaging techniques, such as x-ray computed tomography and digital image correlation, will be used during material testing to help define the baseline material damage parameters. Monte Carlo analysis will be performed to address inherent variations in material properties, the aim being to reduce the arbitrariness and uncertainties associated with the current statistical approach. The results can potentially contribute to the current development of American Society of Mechanical Engineers (ASME) codes for the design and construction of VHTR core components.
Bird, R.; Riordan, C.
1984-12-01T23:59:59.000Z
A new, simple model for calculating clear-sky direct and diffuse spectral irradiance on horizontal and tilted surfaces is presented. The model is based on previously reported simple algorithms and on comparisons with rigorous radiative transfer calculations and limited outdoor measurements. Equations for direct normal irradiance are outlined; and include: Raleigh scattering; aerosol scattering and absorption; water vapor absorption; and ozone and uniformly mixed gas absorption. Inputs to the model include solar zenith angle, collector tilt angle, atmospheric turbidity, amount of ozone and precipitable water vapor, surface pressure, and ground albedo. The model calculates terrestrial spectra from 0.3 to 4.0 ..mu..m with approximately 10 nm resolution. A major goal of this work is to provide researchers with the capability to calculate spectral irradiance for different atmospheric conditions and different collector geometries using microcomputers. A listing of the computer program is provided.
Shell model nuclear matrix elements for competing mechanisms contributing to double beta decay
Horoi, Mihai [Department of Physics, Central Michigan University, Mount Pleasant, Michigan, 48859 (United States)
2013-12-30T23:59:59.000Z
Recent progress in the shell model approach to the nuclear matrix elements for the double beta decay process are presented. This includes nuclear matrix elements for competing mechanisms to neutrionless double beta decay, a comparison between closure and non-closure approximation for {sup 48}Ca, and an updated shell model analysis of nuclear matrix elements for the double beta decay of {sup 136}Xe.
Chalupecký, Vladimír; Kruschwitz, Jens; Muntean, Adrian
2012-01-01T23:59:59.000Z
We consider a two-scale reaction diffusion system able to capture the corrosion of concrete with sulfates. Our aim here is to define and compute two macroscopic corrosion indicators: typical pH drop and gypsum profiles. Mathematically, the system is coupled, endowed with micro-macro transmission conditions, and posed on two different spatially-separated scales: one microscopic (pore scale) and one macroscopic (sewer pipe scale). We use a logarithmic expression to compute values of pH from the volume averaged concentration of sulfuric acid which is obtained by resolving numerically the two-scale system (microscopic equations with direct feedback with the macroscopic diffusion of one of the reactants). Furthermore, we also evaluate the content of the main sulfatation reaction (corrosion) product---the gypsum---and point out numerically a persistent kink in gypsum's concentration profile. Finally, we illustrate numerically the position of the free boundary separating corroded from not-yet-corroded regions.
of the phosphosilicate glass, and how the glass feeds the phosphorus into the silicon for diffusion. Due to this lack, we, phosphosilicate glass (PSG) is formed. The glass is a mixture of phosphorus pentoxide (P2O5) and silicon dioxide THE PHOSPHSILICATE GLASS (PSG) LAYER H. Wagner 1 , A. Dastgheib-Shirazi 2 , R. Chen 3 , S.T. Dunham 3 , M. Kessler 4
Paris-Sud XI, UniversitÃ© de
Hydro-Mechanical Coupling in Damaged Porous Media Containing Isolated Cracks or/and Vugs: Model In this paper we present the development of the macroscopic model describing the hydro-mechanical coupling model in the micro-porous domain saturated by a fluid. In the crack/vug domain the Stokes equation
MECHANICAL MODELING OF GLASS AND CARBON EPOXY COMPOSITES Barzin Mobasher 1
Mobasher, Barzin
MECHANICAL MODELING OF GLASS AND CARBON EPOXY COMPOSITES Barzin Mobasher 1 , Associate Member ASCE and flexural loading. INTRODUCTION In order to commercially utilize new composite materials in civil of composite laminates. The proposed methodology can be used as a new composite material or used
). Â· im is the current through the motor. Because the motor is in series with all other electrical). Because power is conserved, m = Kmim (motor efficiency is actually closer to 69%). Here, Km 0.00767 VRotary Electrodynamics of a DC Motor: Motor as Mechanical Capacitor Lab 2: Modeling and System
Virtual Electrodes Mechanisms Predictions with a Current-Lifted Monodomain Model
Boyer, Edmond
Virtual Electrodes Mechanisms Predictions with a Current-Lifted Monodomain Model Yves Coudi`ere1 cost. The source term is derived from a lifting principle ap- plied to the resolution, and an excitation part, that remains unchanged. Equivalently, we make a lifting of the stimula- tion functions
ES2A7 -Fluid Mechanics Example Classes Model Answers to Example Questions (Set III)
Thomas, Peter J.
ES2A7 - Fluid Mechanics Example Classes Model Answers to Example Questions (Set III) Question 1 10610 40031.8 -- Ã?=Ã?= Ã? Ã? == APN RT d Question 2: Type of Fluid #12;Consider 2 identical vertical tubes are filled with the same height of fluid: A Newtonian fluid is used with tube X whereas a non-Newtonian fluid
A chemo-mechanical model of lithiation in silicon , Feifei Fan b
Zhu, Ting
-mechanical model to investigate the lithiation-induced phase transformation, morphological evolution, stress to the development of new electrode materials that are not only of high energy and high power densities, but also to the high-capacity electrodes, Li insertion/extraction induces large volumetric change and stress inside
Guidoni, Leonardo
Hybrid Car-Parrinello/Molecular Mechanics Modelling of Transition Metal Complexes: Structure). We have recently developed a QM/MM extension of a Car-Parrinello scheme [5]. These hybrid Car functional theory embedded in a classical force field description. The power of such a combined Car
A Recurrent Neural Multi-Model for Mechanical Systems Dynamics Compensation
Borissova, Daniela
Mexico D.F., Mexico ** Institute of Information Technologies, 1113 Sofia Abstract: The paper proposed nonlinear mechanical plants with backlash. The parameters and states of the local recurrent neural network of the plant model. For example, N a r e n d r a and P a r t h a s a r a t h y [5], applied FFNN for system
Comparison of problem model change mechanisms issued from CSP and TRIZ
Paris-Sud XI, UniversitÃ© de
1 Comparison of problem model change mechanisms issued from CSP and TRIZ RRoollaanndd DDee GGuuiioo satisfaction problem (CSP), on the other hand. Keywords: over-constrained problems, dialectical methods issued from CSP and TRIZ 2 Â· a set of evaluation parameters, which represent the objective of the problem
MODEL OF MECHANISM BEHAVIOR FOR VERIFICATION OF PLC Jos M. Machado
Paris-Sud XI, UniversitÃ© de
MODEL OF MECHANISM BEHAVIOR FOR VERIFICATION OF PLC PROGRAMS JosÃ© M. Machado University of Minho on formal methods is now available for checking PLC (Programmable Logic Controller) programs. To verify a PLC program, it is necessary to consider a set of properties to prove and one of the most interesting
Towards Model-Based Estimation of the Cardiac Electro-Mechanical Activity from ECG Signals
CoudiÃ¨re, Yves
Towards Model-Based Estimation of the Cardiac Electro-Mechanical Activity from ECG Signals by comparing the actual patient's ECG with computational results and the deformation of the biomechani- cal-to-access measurements on a patient: the ECG (Electrocardiogram), and a time sequence of volumetric ultrasound images
Review of enhanced vapor diffusion in porous media
Webb, S.W.; Ho, C.K.
1998-08-01T23:59:59.000Z
Vapor diffusion in porous media in the presence of its own liquid has often been treated similar to gas diffusion. The gas diffusion rate in porous media is much lower than in free space due to the presence of the porous medium and any liquid present. However, enhanced vapor diffusion has also been postulated such that the diffusion rate may approach free-space values. Existing data and models for enhanced vapor diffusion, including those in TOUGH2, are reviewed in this paper.
Moisture Diffusion in Asphalt Binders and Fine Aggregate Mixtures
Vasconcelos, Kamilla L.
2011-08-08T23:59:59.000Z
cost in highway maintenance and vehicle operations. One key mechanism of how moisture reaches the asphalt-aggregate interface is by its permeation or diffusion through the asphalt binder or mastic. Different techniques are available for diffusion...
Advani, S.H.
1983-01-01T23:59:59.000Z
Model formulations and governing equations for the investigation of the thermo-mechanical, consolidation and failure responses associated with UCG are given. Typical results from sample finite element model representations are presented. The examples quoted include the simulation of the transient temperature profiles, thermo-elastic stresses incorporating temperature dependent material properties and fracture responses. The application of the developed models to the evaluation of field experiments is demonstrated by the simulation of the Hoe Creek II experiments. The numerical experiments for different overburden failure thresholds demonstrated the pronounced sensitivity of the predicted cavity shapes with respect to the assumed properties.
Development of a reduced n-heptane oxidation mechanism for HCCI combustion modeling
Maroteaux, F.; Noel, L. [University Pierre et Marie Curie, INRIA Rocquencourt, B.P. 105, 78153 Le Chesnay Cedex (France)
2006-07-15T23:59:59.000Z
Homogeneous charge compression ignition (HCCI) is one of the alternatives to reduce significantly engine emissions for future regulations. This new alternative combustion process is mainly controlled by chemical kinetics in comparison with the conventional combustion in internal combustion engines. The optimization of the engine over the complete engine operation range requires an accurate analysis of the combustion process under all operating conditions; detailed modeling of the HCCI process is an opportunity to realize the engine optimization at lower cost. The combination of CFD computations with detailed chemistry leads to excessive computation times, and is not achievable with current computer capabilities. In this paper, a reduced chemical model for n-heptane is described, in view of its implementation into a CFD simulation code. In the first part, the reduction process to get to the 61-step mechanism is detailed and then the 26-step mechanism is described; this further reduction is carried out under various conditions that include a range of interest in engine applications. The third part is dedicated to extensive validation work in reference to the original detailed mechanism and two reduced mechanisms published in the literature, focusing on the prediction of ignition delay times under constant as well as variable volume conditions. A good and accurate reproduction of both ignition delay times and heat release can be reached with the 26-step model. (author)
Li, Jingyi
2012-02-14T23:59:59.000Z
mechanism. In this study, two state-of-the-science photochemical mechanisms, SAPRC07 and Master Chemical Mechanism (MCM) v3.1, were implemented in the Community Multi-scale Air Quality Model (CMAQ) version 4.6 developed by the US EPA to study a high ozone (O...
Modeling the coupled mechanics, transport, and growth processes in collagen tissues.
Holdych, David J.; Nguyen, Thao D.; Klein, Patrick A.; in't Veld, Pieter J.; Stevens, Mark Jackson
2006-11-01T23:59:59.000Z
The purpose of this project is to develop tools to model and simulate the processes of self-assembly and growth in biological systems from the molecular to the continuum length scales. The model biological system chosen for the study is the tendon fiber which is composed mainly of Type I collagen fibrils. The macroscopic processes of self-assembly and growth at the fiber scale arise from microscopic processes at the fibrillar and molecular length scales. At these nano-scopic length scales, we employed molecular modeling and simulation method to characterize the mechanical behavior and stability of the collagen triple helix and the collagen fibril. To obtain the physical parameters governing mass transport in the tendon fiber we performed direct numerical simulations of fluid flow and solute transport through an idealized fibrillar microstructure. At the continuum scale, we developed a mixture theory approach for modeling the coupled processes of mechanical deformation, transport, and species inter-conversion involved in growth. In the mixture theory approach, the microstructure of the tissue is represented by the species concentration and transport and material parameters, obtained from fibril and molecular scale calculations, while the mechanical deformation, transport, and growth processes are governed by balance laws and constitutive relations developed within a thermodynamically consistent framework.
Jun, Woo-Suk
2014-05-31T23:59:59.000Z
proposed by this dissertation is the incapacitation mechanism model of the Juchist and Marxist-Leninist Articles against the core implementation mechanism model of the Fundamental Rights Articles. The incapacitation mechanism model proves that all...
Matti Maricq, M. [Research and Advanced Engineering, Ford Motor Company, Dearborn, MI (United States)
2011-01-15T23:59:59.000Z
Data are presented to compare soot formation in both surrogate and practical fatty acid methyl ester biodiesel and petroleum fuel diffusion flames. The approach here uses differential mobility analysis to follow the size distributions and electrical charge of soot particles as they evolve in the flame, and laser ablation particle mass spectrometry to elucidate their composition. Qualitatively, these soot properties exhibit a remarkably similar development along the flames. The size distributions begin as a single mode of precursor nanoparticles, evolve through a bimodal phase marking the onset of aggregate formation, and end in a self preserving mode of fractal-like particles. Both biodiesel and hydrocarbon fuels yield a common soot composition dominated by C{sub x}H{sub y}{sup +} ions, stabilomer PAHs, and fullerenes in the positive ion mass spectrum, and C{sub x}{sup -} and C{sub 2x}H{sup -} in the negative ion spectrum. These ion intensities initially grow with height in the diffusion flames, but then decline during later stages, consistent with soot carbonization. There are important quantitative differences between fuels. The surrogate biodiesel fuel methyl butanoate substantially reduces soot levels, but soot formation and evolution in this flame are delayed relative to both soy and petroleum fuels. In contrast, soots from soy and hexadecane flames exhibit nearly quantitative agreement in their size distribution and composition profiles with height, suggesting similar soot precursor chemistry. (author)
Is Arnold diffusion relevant to global diffusion?
Seiichiro Honjo; Kunihiko Kaneko
2003-07-27T23:59:59.000Z
Global diffusion of Hamiltonian dynamical systems is investigated by using a coupled standard maps. Arnold web is visualized in the frequency space, using local rotation numbers, while Arnold diffusion and resonance overlaps are distinguished by the residence time distributions at resonance layers. Global diffusion in the phase space is shown to be accelerated by diffusion across overlapped resonances generated by the coupling term, rather than Arnold diffusion along the lower-order resonances. The former plays roles of hubs for transport in the phase space, and accelerate the diffusion.
Thermal Particle Injection in Nonlinear Diffusive Shock Acceleration
Donald C. Ellison; Pasquale Blasi; Stefano Gabici
2005-07-05T23:59:59.000Z
Particle acceleration in collisionless astrophysical shocks, i.e., diffusive shock acceleration (DSA), is the most likely mechanism for producing cosmic rays, at least below 10^{15} eV. Despite the success of this theory, several key elements, including the injection of thermal particles, remains poorly understood. We investigate injection in strongly nonlinear shocks by comparing a semi-analytic model of DSA with a Monte Carlo model. These two models treat injection quite differently and we show, for a particular set of parameters, how these differences influence the overall acceleration efficiency and the shape of the broad-band distribution function.
Enabling HCCI modeling: The RIOT/CMCS Web Service for Automatic Reaction Mechanism Reduction
Oluwole, O; Pitz, W J; Schuchardt, K; Rahn, L A; Green, Jr., W H; Leahy, D; Pancerella, C; Sj?berg, M; Dec, J
2005-12-12T23:59:59.000Z
New approaches are being developed to facilitate multidisciplinary collaborative research of Homogeneous Charge Compression Ignition (HCCI) combustion processes. In this paper, collaborative sharing of the Range Identification and Optimization Toolkit (RIOT) and related data and models is discussed. RIOT is a developmental approach to reduce the computational complexity of detailed chemical kinetic mechanisms, enabling their use in modeling kinetically-controlled combustion applications such as HCCI. These approaches are being developed and piloted as a part of the Collaboratory for Multiscale Chemical Sciences (CMCS) project. The capabilities of the RIOT code are shared through a portlet in the CMCS portal that allows easy specification and processing of RIOT inputs, remote execution of RIOT, tracking of data pedigree and translation of RIOT outputs (such as the reduced model) to a table view and to the commonly-used CHEMKIN mechanism format. The reduced model is thus immediately ready to be used for more efficient simulation of the chemically reacting system of interest. This effort is motivated by the need to improve computational efficiency in modeling HCCI systems. Preliminary use of the web service to obtain reduced models for this application has yielded computational speedup factors of up to 20 as presented in this paper.
Accelerating and Retarding Anomalous Diffusion
Chai Hok Eab; S. C. Lim
2012-01-14T23:59:59.000Z
In this paper Gaussian models of retarded and accelerated anomalous diffusion are considered. Stochastic differential equations of fractional order driven by single or multiple fractional Gaussian noise terms are introduced to describe retarding and accelerating subdiffusion and superdiffusion. Short and long time asymptotic limits of the mean squared displacement of the stochastic processes associated with the solutions of these equations are studied. Specific cases of these equations are shown to provide possible descriptions of retarding or accelerating anomalous diffusion.
Greer, Julia R.
Models of stochastic, spatially varying stress in the crust compatible with focal mechanism data, spatially varying stress in the crust compatible with focal mechanism data Â Smith and Heaton 3 Introduction Â Smith and Heaton 1 Models of stochastic, spatially varying stress in the crust compatible with focal
* corresponding Auithor. Email: cxw31@psu.edu Modeling Discharge and Charge Characteristics
Wang, Chao-Yang
of Mechanical Engineering & Pennsylvania Transportation Institute The Pennsylvania State University University Park, PA 16802, USA S.M. Li Department of Mechanical Engineering University of Hawaii at Manoa Honolulu model which includes both the proton diffusion in the nickel active material and the hydrogen diffusion
Diffusion processes in general relativistic radiating spheres
Barreto, W.; Herrera, L.; Santos, N.O. (Oriente Universidad, Cumana (Venezuela); Universidad Central de Venezuela, Caracas; Observatorio Nacional do Brasil, Rio de Janeiro (Brazil))
1989-09-01T23:59:59.000Z
The influence of diffusion processes on the dynamics of general relativistic radiating spheres is systematically studied by means of two examples. Differences between the streaming-out limit and the diffusion limit are exhibited, for both models, through the evolution curves of dynamical variables. In particular it is shown the Bondi mass decreases, for both models, in the diffusion limit as compared with its value at the streaming-out regime. 15 refs.
Advances in constitutive modelling of jointed rock hydro mechanical interactions at laboratory scale
Paris-Sud XI, UniversitÃ© de
) INPL-LAEGO-ENSMN, Parc de Saurupt, Ecole des mines, 54000 Nancy, France) (2) INERIS, Parc de Saurupt. The hydro mechanical modelling performed using 3DEC code can be improved from the previous analysis through dÃ©bit hydraulique dans la fracture. La modÃ©lisation hydromÃ©canique rÃ©alisÃ©e Ã l'aide du code 3DEC peut
Parallel flow diffusion battery
Yeh, H.C.; Cheng, Y.S.
1984-01-01T23:59:59.000Z
A parallel flow diffusion battery for determining the mass distribution of an aerosol has a plurality of diffusion cells mounted in parallel to an aerosol stream, each diffusion cell including a stack of mesh wire screens of different density.
Fang, Yilin; Nguyen, Ba Nghiep; Carroll, Kenneth C.; Xu, Zhijie; Yabusaki, Steven B.; Scheibe, Timothy D.; Bonneville, Alain
2013-09-12T23:59:59.000Z
Geomechanical alteration of porous media is generally ignored for most shallow subsurface applications, whereas CO2 injection, migration, and trapping in deep saline aquifers will be controlled by coupled multifluid flow, energy transfer, and geomechanical processes. The accurate assessment of the risks associated with potential leakage of injected CO2 and the design of effective injection systems requires that we represent these coupled processes within numerical simulators. The objectives of this study were to develop a coupled thermal-hydro-mechanical model into a single software, and to examine the coupling of thermal, hydrological, and geomechanical processes for simulation of CO2 injection into the subsurface for carbon sequestration. A numerical model is developed to couple nonisothermal multiphase hydrological and geomechanical processes for prediction of multiple interconnected processes for carbon sequestration in deep saline aquifers. The geomechanics model was based on Rigid Body-Spring Model (RBSM), one of the discrete methods to model discontinuous rock system. Poisson’s effect that was often ignored by RBSM was considered in the model. The simulation of large-scale and long-term coupled processes in carbon capture and storage projects requires large memory and computational performance. Global Array Toolkit was used to build the model to permit the high performance simulations of the coupled processes. The model was used to simulate a case study with several scenarios to demonstrate the impacts of considering coupled processes and Poisson’s effect for the prediction of CO2 sequestration.
Effects of turbulent diffusion on the chemistry of diffuse clouds
P. Lesaffre; M. Gerin; P. Hennebelle
2007-04-24T23:59:59.000Z
Aims. We probe the effect of turbulent diffusion on the chemistry at the interface between a cold neutral medium (CNM) cloudlet and the warm neutral medium (WNM). Methods. We perform moving grid, multifluid, 1D, hydrodynamical simulations with chemistry including thermal and chemical diffusion. The diffusion coefficients are enhanced to account for turbulent diffusion. We post-process the steady-states of our simulations with a crude model of radiative transfer to compute line profiles. Results. Turbulent diffusion spreads out the transition region between the CNM and the WNM. We find that the CNM slightly expands and heats up: its CH and H$_2$ content decreases due to the lower density. The change of physical conditions and diffusive transport increase the H$^+$ content in the CNM which results in increased OH and H$_2$O. Diffusion transports some CO out of the CNM. It also brings H$_2$ into contact with the warm gas with enhanced production of CH$^+$, H$_3^+$, OH and H$_2$O at the interface. O lines are sensitive to the spread of the thermal profile in the intermediate region between the CNM and the WNM. Enhanced molecular content at the interface of the cloud broadens the molecular line profiles and helps exciting transitions of intermediate energy. The relative molecular yield are found higher for bigger clouds. Conclusions. Turbulent diffusion can be the source of additional molecular production and should be included in chemical models of the interstellar medium (ISM). It also is a good candidate for the interpretation of observational problems such as warm H$_2$, CH$^+$ formation and presence of H$_3^+$.
Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)
a single-fluid diffuse interface model in the ALE-AMR hydrodynamics code to simulate surface tension effects. We show simula- tions and compare them to other surface tension...
Modeling, simulation, and testing of the mechanical dynamics of and RF MEMS switch.
Sumali, Hartono; Epp, David S.; Massad, Jordan Elias; Dyck, Christopher William; Starr, Michael James
2005-07-01T23:59:59.000Z
Mechanical dynamics can be a determining factor for the switching speed of radio-frequency microelectromechanical systems (RF MEMS) switches. This paper presents the simulation of the mechanical motion of a microswitch under actuation. The switch has a plate suspended by springs. When an electrostatic actuation is applied, the plate moves toward the substrate and closes the switch. Simulations are calculated via a high-fidelity finite element model that couples solid dynamics with electrostatic actuation. It incorporates non-linear coupled dynamics and accommodates fabrication variations. Experimental modal analysis gives results in the frequency domain that verifies the natural frequencies and mode shapes predicted by the model. An effective 1D model is created and used to calculate an actuation voltage waveform that minimizes switch velocity at closure. In the experiment, the switch is actuated with this actuation voltage, and the displacements of the switch at various points are measured using a laser Doppler velocimeter through a microscope. The experiments are repeated on several switches from different batches. The experimental results verify the model.
Mechanical Behaviour of the Short Models of LHC Main Dipole Magnets
Andreyev, N I; Casarejos, E; Kurtyka, T; Rathjen, C; Perini, D; Siegel, N; Tommasini, D; Vanenkov, I
1998-01-01T23:59:59.000Z
A series of single and twin aperture 1 metre magnet models has been built and tested in the framework of the R&D program of main superconducting dipole magnets for the Large Hadron Collider project. The se models, designed for a nominal field of 8.3 T at 1.8 K, have been constructed to test the performance of SC coils and to optimise various design options for the full length 15 metre long dipoles. T he models have been extensively equipped with a specially developed mechanical instrumentation, enabling both the control of main assembly parameters - like coil azimuthal and axial pre-load, stress i n the outer shrinking cylinder - and also the monitoring of magnet behaviour during cooling and energising, under the action of electromagnetic forces. The instrumentation used, mainly based on strain gauge transducers, is described and the results of mechanical measurements obtained during power tests of the models are discussed and compared with the design predictions based on Finite Element calc ulations.
Eric Wachsman; Keith L. Duncan
2006-09-30T23:59:59.000Z
This research was focused on two distinct but related issues. The first issue concerned using defect modeling to understand the relationship between point defect concentration and the electrochemical, thermo-chemical and mechano-chemical properties of typical solid oxide fuel cell (SOFC) materials. The second concerned developing relationships between the microstructural features of SOFC materials and their electrochemical performance. To understand the role point defects play in ceramics, a coherent analytical framework was used to develop expressions for the dependence of thermal expansion and elastic modulus on point defect concentration in ceramics. These models, collectively termed the continuum-level electrochemical model (CLEM), were validated through fits to experimental data from electrical conductivity, I-V characteristics, elastic modulus and thermo-chemical expansion experiments for (nominally pure) ceria, gadolinia-doped ceria (GDC) and yttria-stabilized zirconia (YSZ) with consistently good fits. The same values for the material constants were used in all of the fits, further validating our approach. As predicted by the continuum-level electrochemical model, the results reveal that the concentration of defects has a significant effect on the physical properties of ceramic materials and related devices. Specifically, for pure ceria and GDC, the elastic modulus decreased while the chemical expansion increased considerably in low partial pressures of oxygen. Conversely, the physical properties of YSZ remained insensitive to changes in oxygen partial pressure within the studied range. Again, the findings concurred exactly with the predictions of our analytical model. Indeed, further analysis of the results suggests that an increase in the point defect content weakens the attractive forces between atoms in fluorite-structured oxides. The reduction treatment effects on the flexural strength and the fracture toughness of pure ceria were also evaluated at room temperature. The results reveal that the flexural strength decreases significantly after heat treatment in very low oxygen partial pressure environments; however, in contrast, fracture toughness is increased by 30-40% when the oxygen partial pressure was decreased to 10{sup -20} to 10{sup -22} atm range. Fractographic studies show that microcracks developed at 800 oC upon hydrogen reduction are responsible for the decreased strength. To understand the role of microstructure on electrochemical performance, electrical impedance spectra from symmetric LSM/YSZ/LSM cells was de-convoluted to obtain the key electrochemical components of electrode performance, namely charge transfer resistance, surface diffusion of reactive species and bulk gas diffusion through the electrode pores. These properties were then related to microstructural features, such as triple-phase boundary length and tortuosity. From these experiments we found that the impedance due to oxygen adsorption obeys a power law with pore surface area, while the impedance due to charge transfer is found to obey a power-law with respect to triple phase boundary length. A model based on kinetic theory explaining the power-law relationships observed was then developed. Finally, during our EIS work on the symmetric LSM/YSZ/LSM cells a technique was developed to improve the quality of high-frequency impedance data and their subsequent de-convolution.
Pruess, Karsten; Zhang, Keni
2008-11-17T23:59:59.000Z
For purposes of geologic storage, CO2 would be injected into saline formations at supercritical temperature and pressure conditions, and would form a separate phase that is immiscible with the aqueous phase (brine). At typical subsurface temperature and pressure conditions, supercritical CO2 (scCO2) has lower density than the aqueous phase and would experience an upward buoyancy force. Accordingly, the CO2 is expected to accumulate beneath the caprock at the top of the permeable interval, and could escape from the storage formation wherever (sub-)vertical pathways are available, such as fractures or faults through the caprock, or improperly abandoned wells. Over time, an increasing fraction of CO2 may dissolve in the aqueous phase, and eventually some of the aqueous CO2 may react with rock minerals to form poorly soluble carbonates. Dissolution into the aqueous phase and eventual sequestration as carbonates are highly desirable processes as they would increase permanence and security of storage. Dissolution of CO2 will establish phase equilibrium locally between the overlying CO2 plume and the aqueous phase beneath. If the aqueous phase were immobile, CO2 dissolution would be limited by the rate at which molecular diffusion can remove dissolved CO2 from the interface between CO2-rich and aqueous phases. This is a slow process. However, dissolution of CO2 is accompanied by a small increase in the density of the aqueous phase, creating a negative buoyancy force that can give rise to downward convection of CO2-rich brine, which in turn can greatly accelerate CO2 dissolution. This study explores the process of dissolution-diffusion-convection (DDC), using high-resolution numerical simulation. We find that geometric features of convection patterns are very sensitive to small changes in problem specifications, reflecting self-enhancing feedbacks and the chaotic nature of the process. Total CO2 dissolution rates on the other hand are found to be quite robust against modest changes in problem parameters, and are essentially constant as long as no dissolved CO2 reaches the lower boundary of the system.
Benioff, P.A.
1981-01-01T23:59:59.000Z
Work done before on the construction of quantum mechanical Hamiltonian models of Turing machines and general descrete processes is extended here to include processes which erase their own histories. The models consist of three phases, the forward process phase in which a map T is iterated and a history of iterations is generated, a copy phase which is activated if and only if T reaches a fix point, and an erase phase which erases the iteration history, undoes the iterations of T and recovers the initial state except for the copy system. A ballast system is used to stop the evolution at the desired state. The general model so constructed is applied to Turing machines. The main changes are that the system undergoing the evolution corresponding to T iterations becomes three systems corresponding to the internal machine, the computation tape, and computation head. Also the copy phase becomes more complex since it is desired that this correspond also to a copying Turing machine.
A fully resolved active musculo-mechanical model for esophageal transport
Kou, Wenjun; Griffith, Boyce E; Pandolfino, John E; Kahrilas, Peter J; Patankar, Neelesh A
2015-01-01T23:59:59.000Z
Esophageal transport is a physiological process that mechanically transports an ingested food bolus from the pharynx to the stomach via the esophagus, a multi-layered muscular tube. This process involves interactions between the bolus, the esophagus, and the neurally coordinated activation of the esophageal muscles. In this work, we use an immersed boundary (IB) approach to simulate peristaltic transport in the esophagus. The bolus is treated as a viscous fluid that is actively transported by the muscular esophagus, which is modeled as an actively contracting, fiber-reinforced tube. A simplified version of our model is verified by comparison to an analytic solution to the tube dilation problem. Three different complex models of the multi-layered esophagus, which differ in their activation patterns and the layouts of the mucosal layers, are then extensively tested. To our knowledge, these simulations are the first of their kind to incorporate the bolus, the multi-layered esophagus tube, and muscle activation i...
Chen, C.W.
1987-05-01T23:59:59.000Z
A critical review of population dynamics models was performed to describe previous models and to recommend approaches for future research on compensation in fish population. The models were first classified into five categories, i.e., theoretical, stock-recruitment, biomass (bioenergetic), population (number), and life cycle functions. Models in each category were then reviewed for their formulations, assumptions, limitations, and performances. A majority of the models were found to have been formulated to calculate parameters that could not be directly measured. Models developed to evaluate entrainment and impingement impacts were often applied without validation against observed data. To advance the scientific understanding of fish compensation mechanisms, future research should include complimentary studies in both model development and empirical observation. Modeling will provide a theoretical framework to integrate individual compensation mechanisms and to relate them to population level responses. Empirical observation, on the other hand, will furnish data to verify the theory. The fish compensation model should use a cohort representation that allows the incorporation of the relationships between life cycle processes and environmental conditions. Growth and mortality of fish in early life stages should be related to weather, hydrology, temperature and food in addition to competition and predation. Environmental data with an inherent stochasticity should be used as input to produce verifiable real time variations in year class strength.
Statistical mechanics model for the transit free energy of monatomic liquids
Duane C. Wallace; Eric D. Chisolm; N. Bock; G. De Lorenzi-Venneri
2010-04-19T23:59:59.000Z
In applying Vibration-Transit (V-T) theory of liquid dynamics to the thermodynamic properties of monatomic liquids, the point has been reached where an improved model is needed for the small (approx. 10%) transit contribution. Toward this goal, an analysis of the available high-temperature experimental entropy data for elemental liquids was recently completed [D. C. Wallace, E. D. Chisolm, and N. Bock, Phys. Rev. B 79, 051201 (2009)]. This analysis yields a common curve of transit entropy vs. T/\\theta_{tr}, where T is temperature and \\theta_{tr} is a scaling temperature for each element. In the present paper, a statistical mechanics model is constructed for the transit partition function, and is calibrated to the experimental transit entropy curve. The model has two scalar parameters, and captures the temperature scaling of experiment. The calibrated model fits the experimental liquid entropy to high accuracy at all temperatures. With no additional parameters, the model also agrees with both experiment and molecular dynamics for the internal energy vs. T for Na. With the calibrated transit model, V-T theory provides equations subject to ab initio evaluation for thermodynamic properties of monatomic liquids. This will allow the range of applicability of the theory, and its overall accuracy, to be determined. More generally, the hypothesis of V-T theory, which divides the many-atom potential energy valleys into random and symmetric classes, can also be tested for its application beyond monatomic systems.
M. Lin; D. Kicker; B. Damjanac; M. Board; M. Karakouzian
2006-07-05T23:59:59.000Z
This paper outlines rock mechanics investigations associated with mechanical degradation of planned emplacement drifts at Yucca Mountain, which is the designated site for the proposed U.S. high-level nuclear waste repository. The factors leading to drift degradation include stresses from the overburden, stresses induced by the heat released from the emplaced waste, stresses due to seismically related ground motions, and time-dependent strength degradation. The welded tuff emplacement horizon consists of two groups of rock with distinct engineering properties: nonlithophysal units and lithophysal units, based on the relative proportion of lithophysal cavities. The term 'lithophysal' refers to hollow, bubble like cavities in volcanic rock that are surrounded by a porous rim formed by fine-grained alkali feldspar, quartz, and other minerals. Lithophysae are typically a few centimeters to a few decimeters in diameter. Part I of the paper concentrates on the generally hard, strong, and fractured nonlithophysal rock. The degradation behavior of the tunnels in the nonlithophysal rock is controlled by the occurrence of keyblocks. A statistically equivalent fracture model was generated based on extensive underground fracture mapping data from the Exploratory Studies Facility at Yucca Mountain. Three-dimensional distinct block analyses, generated with the fracture patterns randomly selected from the fracture model, were developed with the consideration of in situ, thermal, and seismic loads. In this study, field data, laboratory data, and numerical analyses are well integrated to provide a solution for the unique problem of modeling drift degradation.
Progress Report for Diffusion Welding of the NGNP Process Application Heat Exchangers
R.E. Mizia; D.E. Clark; M.V. Glazoff; T.E. Lister; T.L. Trowbridge
2011-12-01T23:59:59.000Z
The U.S. Department of Energy selected the high temperature gas-cooled reactor as the basis for the Next Generation Nuclear Plant (NGNP). The NGNP will demonstrate the use of nuclear power for electricity, hydrogen production, and process heat applications. The NGNP Project is currently investigating the use of metallic, diffusion welded, compact heat exchangers to transfer heat from the primary (reactor side) heat transport system to the secondary heat transport system. An intermediate heat exchanger will transfer this heat to downstream applications such as hydrogen production, process heat, and electricity generation. The channeled plates that make up the heat transfer surfaces of the intermediate heat exchanger will have to be assembled into an array by diffusion welding. This report describes the preliminary results of a scoping study that evaluated the diffusion welding process parameters and the resultant mechanical properties of diffusion welded joints using Alloy 800H. The long-term goal of the program is to progress towards demonstration of small heat exchanger unit cells fabricated with diffusion welds. Demonstration through mechanical testing of the unit cells will support American Society of Mechanical Engineers rules and standards development, reduce technical risk, and provide proof of concept for heat exchanger fabrication methods needed to deploy heat exchangers in several potential NGNP configurations.1 Researchers also evaluated the usefulness of modern thermodynamic and diffusion computational tools (Thermo-Calc and Dictra) in optimizing the parameters for diffusion welding of Alloy 800H. The modeling efforts suggested a temperature of 1150 C for 1 hour with an applied pressure of 5 MPa using 15 {micro}m nickel foil as joint filler to reduce chromium oxidation on the welded surfaces. Good agreement between modeled and experimentally determined concentration gradients was achieved
Thermal and mechanical denaturation properties of a DNA model with three sites per nucleotide
Florescu, Ana-Maria; 10.1063/1.3626870
2011-01-01T23:59:59.000Z
In this paper, we show that the coarse grain model for DNA, which has been proposed recently by Knotts, Rathore, Schwartz and de Pablo (J. Chem. Phys. 126, 084901 (2007)), can be adapted to describe the thermal and mechanical denaturation of long DNA sequences by adjusting slightly the base pairing contribution. The adjusted model leads to (i) critical temperatures for long homogeneous sequences that are in good agreement with both experimental ones and those obtained from statistical models, (ii) a realistic step-like denaturation behaviour for long inhomogeneous sequences, and (iii) critical forces at ambient temperature of the order of 10 pN, close to measured values. The adjusted model furthermore supports the conclusion that the thermal denaturation of long homogeneous sequences corresponds to a first-order phase transition and yields a critical exponent for the critical force equal to sigma=0.70. This model is both geometrically and energetically realistic, in the sense that the helical structure and th...
On the thermodynamics of volume/mass diffusion in fluids
S. Kokou Dadzie; Jason M. Reese
2012-04-07T23:59:59.000Z
In Physica A vol 387(24) (2008) pp6079-6094 [1], a kinetic equation for gas flows was proposed that leads to a set of four macroscopic conservation equations, rather than the traditional set of three equations. The additional equation arises due to local spatial random molecular behavior, which has been described as a volume or mass diffusion process. In this present paper, we describe a procedure to construct a Gibbs-type equation and a second-law associated with these kinetic and continuum models. We also point out the close link between the kinetic equation in [1] and that proposed previously by Klimontovich, and we discuss some of their compatibilities with classical mechanical principles. Finally, a dimensional analysis highlights the nature of volume/mass diffusion: it is a non-conventional diffusive process, with some similarities to the `ghost effect', which cannot be obtained from a fluid mechanical derivation that neglects non-local-equilibrium structures, as the conventional Navier-Stokes-Fourier model does.
Microstructure and Mechanical Properties of n-irradiated Fe-Cr Model Alloys
Matijasevic, Milena; Al Mazouzi, Abderrahim [Reactor materials research, SCK-CEN, Mol (Belgium)
2008-07-01T23:59:59.000Z
High chromium ( 9-12 wt %) ferritic/martensitic steels are candidate structural materials for future fusion reactors and other advanced systems such as accelerator driven systems (ADS). Their use for these applications requires a careful assessment of their mechanical stability under high energy neutron irradiation and in aggressive environments. In particular, the Cr concentration has been shown to be a key parameter to be optimized in order to guarantee the best corrosion and swelling resistance, together with the least embrittlement. In this work, the characterization of the neutron irradiated Fe-Cr model alloys with different Cr % with respect to microstructure and mechanical tests will be presented. The behavior of Fe-Cr alloys have been studied using tensile tests at different temperature range ( from -160 deg. C to 300 deg. C). Irradiation-induced microstructure changes have been studied by TEM for two different irradiation doses at 300 deg. C. The density and the size distribution of the defects induced have been determined. The tensile test results indicate that Cr content affects the hardening behavior of Fe-Cr binary alloys. Hardening mechanisms are discussed in terms of Orowan type of approach by correlating TEM data to the measured irradiation hardening. (authors)
Computational tool for comparison of kinematic mechanisms and commonly used kinematic models
Hollerbach, K.; Hollister, A.M.; Van Vorhis, R.L.
1997-03-01T23:59:59.000Z
Accurate, reliable, and reproducible methods to measure the movements of human joints have been elusive. Currently, three-dimensional recording methods are used to track the motion of one segment relative to another as the joint moves. Six parameters describe the moving segment`s location and orientation relative to the reference segment: three translations (x, y, and z) and three rotations (yaw, pitch and roll) in the reference frame. The raw data can be difficult to interpret. For this reason, several methods have been developed to measure the motion of human joints and to describe the resulting data. For example, instant helical axes or screw deviation axes (Kinzell et al., 1972), the Joint Coordinate System of Grood and Suntay (1983), and the Euler angle method have been used to describe the movements of bones relative to each other. None of these methods takes into account the physical kinematic mechanism producing the joint motion. More recently, Lupichuk (1995) has developed an algorithm to find, for an arbitrary revolute, the axis` position and orientation in three- dimensional space. Each of these methods has advantages and disadvantages in analyzing joint kinematics. The authors have developed software to provide a means of comparing these methods for arbitrary, single degree of freedom, kinematic mechanisms. Our objective is to demonstrate the software and to show how it can be used to compare the results from the different kinematic models as they are applied to specific kinematic mechanisms.
On a 2D hydro-mechanical lattice approach for modelling hydraulic fracture
Grassl, Peter; Gallipoli, Domenico; Wheeler, Simon J
2014-01-01T23:59:59.000Z
A 2D lattice approach to describe hydraulic fracturing is presented. The interaction of fluid pressure and mechanical response is described by Biot's theory. The lattice model is applied to the analysis of a thick-walled cylinder, for which an analytical solution for the elastic response is derived. The numerical results obtained with the lattice model agree well with the analytical solution. Furthermore, the coupled lattice approach is applied to the fracture analysis of the thick-walled cylinder. It is shown that the proposed lattice approach provides results that are independent of the mesh size. Moreover, a strong geometrical size effect on nominal strength is observed which lies between analytically derived lower and upper bounds. This size effect decreases with increasing Biot's coefficient.
A mathematical model for investigating the mechanical behaviour of salt cavities
Lambert, G.M.S.; Creed, M.R.; Dean, F.; Leigh, M.J.
1988-01-01T23:59:59.000Z
Cavities in salt are widely used for the storage of natural gas and other substances. When used for the storage of gas, the pressure in the cavity may be reduced to well below the geostatic pressure in the surrounding salt. In these conditions the salt will creep and the shape and size of the cavity will change. The ability to predict these changes, and the effect they may have on the subsurface system is necessary for the efficient operation of the storage. British Gas has developed a mathematical model for investigating this mechanical behaviour of salt cavities. It is based on an extensive programme of experimental work to determine the rheological behaviour of the salt. This paper describes this model and shows how it has been used to solve a number of typical problems encountered in the planning and operation of salt cavities.
A thermo-hydro-mechanical coupled model in local thermal non-equilibrium for fractured HDR reservoir
Boyer, Edmond
A thermo-hydro-mechanical coupled model in local thermal non-equilibrium for fractured HDR of New South Wales, Sydney 2052, Australia. Abstract The constitutive thermo-hydro-mechanical equations is next applied to simulate circulation tests at the Fenton Hill HDR reservoir. The finer thermo-hydro
Ritchie, Robert
with hydrogen embrittlement represents a particu- larly severe degradation mechanism in metallic structures and compressors, despite the fact that they can be extremely susceptible to such hydrogen embrittlementA statistical, physical-based, micro-mechanical model of hydrogen-induced intergranular fracture
Paris-Sud XI, UniversitÃ© de
A Dual Model-Free Control of Underactuated Mechanical Systems, Application to The Inertia Wheel underac- tuated mechanical system: the inertia wheel inverted pendulum. Numerical simulations as well: the ball and beam [9] (where the dynamics of the beam has not been taken into account) and the Planar
Comparison of QM-Only and QM/MM Models for the Mechanism of Tungsten-Dependent Acetylene Hydratase
Liao, Rongzhen
Comparison of QM-Only and QM/MM Models for the Mechanism of Tungsten-Dependent Acetylene Hydratase study on the formation of vinyl alcohol in the catalytic cycle of tungsten-dependent acetylene hydratase
Thermal-mechanical modeling of deep borehole disposal of high-level radioactive waste.
Arnold, Bill Walter; Hadgu, Teklu
2010-12-01T23:59:59.000Z
Disposal of high-level radioactive waste, including spent nuclear fuel, in deep (3 to 5 km) boreholes is a potential option for safely isolating these wastes from the surface and near-surface environment. Existing drilling technology permits reliable and cost-effective construction of such deep boreholes. Conditions favorable for deep borehole disposal in crystalline basement rocks, including low permeability, high salinity, and geochemically reducing conditions, exist at depth in many locations, particularly in geologically stable continental regions. Isolation of waste depends, in part, on the effectiveness of borehole seals and potential alteration of permeability in the disturbed host rock surrounding the borehole. Coupled thermal-mechanical-hydrologic processes induced by heat from the radioactive waste may impact the disturbed zone near the borehole and borehole wall stability. Numerical simulations of the coupled thermal-mechanical response in the host rock surrounding the borehole were conducted with three software codes or combinations of software codes. Software codes used in the simulations were FEHM, JAS3D, Aria, and Adagio. Simulations were conducted for disposal of spent nuclear fuel assemblies and for the higher heat output of vitrified waste from the reprocessing of fuel. Simulations were also conducted for both isotropic and anisotropic ambient horizontal stress in the host rock. Physical, thermal, and mechanical properties representative of granite host rock at a depth of 4 km were used in the models. Simulation results indicate peak temperature increases at the borehole wall of about 30 C and 180 C for disposal of fuel assemblies and vitrified waste, respectively. Peak temperatures near the borehole occur within about 10 years and decline rapidly within a few hundred years and with distance. The host rock near the borehole is placed under additional compression. Peak mechanical stress is increased by about 15 MPa (above the assumed ambient isotropic stress of 100 MPa) at the borehole wall for the disposal of fuel assemblies and by about 90 MPa for vitrified waste. Simulated peak volumetric strain at the borehole wall is about 420 and 2600 microstrain for the disposal of fuel assemblies and vitrified waste, respectively. Stress and volumetric strain decline rapidly with distance from the borehole and with time. Simulated peak stress at and parallel to the borehole wall for the disposal of vitrified waste with anisotropic ambient horizontal stress is about 440 MPa, which likely exceeds the compressive strength of granite if unconfined by fluid pressure within the borehole. The relatively small simulated displacements and volumetric strain near the borehole suggest that software codes using a nondeforming grid provide an adequate approximation of mechanical deformation in the coupled thermal-mechanical model. Additional modeling is planned to incorporate the effects of hydrologic processes coupled to thermal transport and mechanical deformation in the host rock near the heated borehole.
Ressel, G.; Primig, S. [Department of Physical Metallurgy and Materials Testing, Montanuniversität Leoben, A-8700 Leoben (Austria); Christian Doppler Laboratory for Early Stages of Precipitation, Montanuniversität Leoben, A-8700 Leoben (Austria); Parz, P.; Puff, W. [Institute of Materials Physics, Graz University of Technology, A-8010 Graz (Austria); Leitner, H.; Clemens, H. [Department of Physical Metallurgy and Materials Testing, Montanuniversität Leoben, A-8700 Leoben (Austria)
2014-03-28T23:59:59.000Z
In order to improve the mechanical properties at elevated temperatures, several types of steels are mechanically alloyed with yttria. The processes that are active during milling differ dependent on the individual powder constituents. Nevertheless, some theories exist which try to describe the mechanism of producing a metastable phase during milling. However, even in the system iron–yttria, the mechanisms taking place during milling are still not well understood. By using the example of a simple iron–yttria model alloy, this paper attempts to elucidate the structure of mechanically milled powder particles and, consequently, to clarify the functionality of mechanical alloying in the last stage of milling. Positron annihilation experiments on milled materials revealed “open” volumes which are enriched in yttria. Electron backscatter diffraction and atom probe tomography as complimentary techniques allowed an identification of these “open” volumes as mainly vacancies, where enrichments of Y and O occur. From these results, it can be concluded that especially vacancies are responsible for producing a metastable phase, whereby yttria is dissolved in pure iron.
Convergence Speed of GARCH Option Price to Diffusion Option Price
Wang, Yazhen
Convergence Speed of GARCH Option Price to Diffusion Option Price Jin-Chuan Duan National constructed GARCH model will weakly converge to a bi- variate diffusion. Naturally the European option price under the GARCH model will also converge to its bivariate diffusion counterpart. This paper investigates
Rood, Richard B; Jablonowski, Christiane
2012-10-31T23:59:59.000Z
This project focuses on evaluating the role of subgrid-scale dissipation in the dynamical core of atmospheric models. All dynamical cores of atmospheric general circulation models (GCMs) employ some form of subgrid-scale dissipation, either explicitly specified or inherent in the chosen numerical schemes. The dissipation processes are needed to keep the simulation stable or to satisfy important physical properties, and the hope is that they capture and mimic in some poorly understood way the true processes at the unresolved subgrid scale. There is no physical basis that such dissipation can accomplish this. We originally posed a set of numerical test cases chosen or designed to isolate the role of the filters and fixers on both the dynamical variables (pressure, temperature, velocity, vorticity) and trace constituents. From these test case results, we synthesize the information to determine the impact of the subgrid-scale assumptions on weather and climate models.
Sensitivity of climate change to diapycnal diffusivity in the ocean
Dalan, Fabio, 1975-
2003-01-01T23:59:59.000Z
The diapycnal diffusivity of the ocean is one of the least known parameters in cur- rent climate models. Measurements of this diffusivity are sparse and insufficient for compiling a global map. Inferences from inverse ...
Sollich, Peter
(foams, emulsions etc.) as well as to conventional glassÂforming liquids is discussed. I. INTRODUCTION is Bouchaud's model of glasses [J.ÂP. Bouchaud, J. Physique I 2 1705 (1992)], as extended to describe)].) We investigate the breakdown, near the glass transition, of the (generalized) StokesÂ Einstein
Lin, Che-Jen [ORNL; Pongprueksa, Pruek [Lamar University; Lindberg, Steven Eric [ORNL; Jang, Carey [U.S. Environmental Protection Agency, Raleigh, North Carolina; Braverman, Thomas [U.S. Environmental Protection Agency, Raleigh, North Carolina; Bullock, Russell O [NOAA; Ho, Thomas [ORNL; Chu, Hsing-Wei [Lamar University
2008-03-01T23:59:59.000Z
In this study, the model response in terms of simulated mercury concentration and deposition to boundary condition (BC), initial condition (IC), model grid resolution (12 km versus 36 km), and two alternative Hg(II) reduction mechanisms, was investigated. The model response to the change of gaseous elemental mercury (GEM) concentration from 0 to 2 ngm3 in IC/BC is found to be very linear (r240.99) based on the results of sensitivity simulations in July 2001. An increase of 1 ngm3 of GEM in BC resulted in an increase of 0.81 ngm3 in the monthly average of total mercury concentration, and 1270 ngm2 in the monthly total deposition. IC has similar but weaker effects compared to those of BC. An increase of 1 ngm3 of GEM in IC resulted in an increase of 0.14 ngm3 in the monthly average of total mercury concentration, and 250 ngm2 in the monthly total deposition. Varying reactive gaseous mercury (RGM) or particulate mercury (PHg) in BC/IC has much less significant impact. Simulation results at different grid resolutions show good agreement (slope 0.950 1.026, r 0.816 0.973) in mercury concentration, dry deposition, and total deposition. The agreement in wet deposition is somewhat weaker (slope 0.770 0.794, r 0.685 0.892) due to the difference in emission dilution and simulated precipitation that subsequently change reaction rates in the aqueous phase. Replacing the aqueous Hg(II)-HO2 reduction by either RGM reduction by CO (51018cm3 molecule1 s1) or photoreduction of RGM (1105 s1) gives significantly better model agreement with the wet deposition measured by Mercury Deposition Network (MDN). Possible ranges of the reduction rates are estimated based on model sensitivity results. The kinetic estimate requires further verification by laboratory studies.
Microfabricated diffusion source
Oborny, Michael C. (Albuquerque, NM); Frye-Mason, Gregory C. (Cedar Crest, NM); Manginell, Ronald P. (Albuquerque, NM)
2008-07-15T23:59:59.000Z
A microfabricated diffusion source to provide for a controlled diffusion rate of a vapor comprises a porous reservoir formed in a substrate that can be filled with a liquid, a headspace cavity for evaporation of the vapor therein, a diffusion channel to provide a controlled diffusion of the vapor, and an outlet to release the vapor into a gas stream. The microfabricated diffusion source can provide a calibration standard for a microanalytical system. The microanalytical system with an integral diffusion source can be fabricated with microelectromechanical systems technologies.
Surveying Diffusion in Complex Geometries. An Essay
Grebenkov, Denis
2009-01-01T23:59:59.000Z
The surrounding world surprises us by the beauty and variety of complex shapes that emerge from nanometric to macroscopic scales. Natural or manufactured materials (sandstones, sedimentary rocks and cement), colloidal solutions (proteins and DNA), biological cells, tissues and organs (lungs, kidneys and placenta), they all present irregularly shaped "scenes" for a fundamental transport "performance", that is, diffusion. Here, the geometrical complexity, entangled with the stochastic character of diffusive motion, results in numerous fascinating and sometimes unexpected effects like diffusion screening or localization. These effects control many diffusion-mediated processes that play an important role in heterogeneous catalysis, biochemical mechanisms, electrochemistry, growth phenomena, oil recovery, or building industry. In spite of a long and rich history of academic and industrial research in this field, it is striking to see how little we know about diffusion in complex geometries, especially the one whic...
Sciortino, Francesco
, their energy of the local minima referred to as inherent struc- tures , eIS IS' stands for inherent structures10 . For the case of the Kob-Andersen Lennard-Jones model 11,12 , the number eIS deIS of dis- tinct basins of energy depth between eIS and eIS+deIS follows a Gaussian distribution 5,6 eIS deIS = e Ne- eIS - Eo 2/2 2 2 2
Cosmological model with decaying vacuum energy law from principles of quantum mechanics
Szydlowski, Marek
2015-01-01T23:59:59.000Z
We construct the cosmological model to explain the cosmological constant problem. We built the extension of the standard cosmological model $\\Lambda$CDM by consideration of decaying vacuum energy represented by the running cosmological term. From the principles of quantum mechanics one can find that in the long term behavior survival probability of unstable states is a decreasing function of the cosmological time and has the inverse power-like form. This implies that cosmological constant $\\rho_{\\text{vac}} = \\Lambda(t) = \\Lambda_{\\text{bare}} + \\frac{\\alpha}{t^2}$ where $\\Lambda_{\\text{bare}}$ and $\\alpha$ are constants. We investigate the dynamics of this model using dynamical system methods due to a link to the $\\Lambda(H)$ cosmologies. We have found the exact solution for the scale factor as well as the indicators of its variability like the deceleration parameter and the jerk. From the calculation of the jerk we obtain a simple test of the decaying vacuum in the FRW universe. Using astronomical data (SNI...
Creep effects in diffusion bonding of oxygen-free copper
Moilanen, Antti
Diffusion is the transport of atoms or particles through the surrounding material. Various microstructural changes in metals are based on the diffusion phenomena. In solid metals the diffusion is closely related to crystallographic defects. In single-component metals the dominant mechanism of diffusion is the vacancy mechanism. Diffusion bonding is a direct technological application of diffusion. It is an advanced solidstate joining process in which the surfaces of two components are brought to contact with each other and heated under a pressing load in a controlled environment. During the process, the contact surfaces are bonded by atomic diffusion across the interface and as a result, one solid piece is formed. The condition of high temperature and low applied stress combined with relatively long process duration enables the creep effects to take place in bonded metals. Furthermore, creep causes unwanted permanent deformations in the bonded components. Some authors suggest that there could be a threshold fo...
Rutqvist, Jonny; Majer, Ernie; Oldenburg, Curt; Peterson, John; Vasco, Don
2006-06-07T23:59:59.000Z
In this paper, we present progress made in a study aimed atincreasing the understanding of the relative contributions of differentmechanisms that may be causing the seismicity occurring at The Geysersgeothermal field, California. The approach we take is to integrate: (1)coupled reservoir geomechanical numerical modeling, (2) data fromrecently upgraded and expanded NCPA/Calpine/LBNL seismic arrays, and (3)tens of years of archival InSAR data from monthly satellite passes. Wehave conducted a coupled reservoir geomechanical analysis to studypotential mechanisms induced by steam production. Our simulation resultscorroborate co-locations of hypocenter field observations of inducedseismicity and their correlation with steam production as reported in theliterature. Seismic and InSAR data are being collected and processed foruse in constraining the coupled reservoir geomechanicalmodel.
Three-body Interactions Improve the Prediction of Rate and Mechanism in Protein Folding Models
M. R. Ejtehadi; S. P. Avall; S. S. Plotkin
2004-07-14T23:59:59.000Z
Here we study the effects of many-body interactions on rate and mechanism in protein folding, using the results of molecular dynamics simulations on numerous coarse-grained C-alpha-model single-domain proteins. After adding three-body interactions explicitly as a perturbation to a Go-like Hamiltonian with native pair-wise interactions only, we have found 1) a significantly increased correlation with experimental phi-values and folding rates, 2) a stronger correlation of folding rate with contact order, matching the experimental range in rates when the fraction of three-body energy in the native state is ~ 20%, and 3) a considerably larger amount of 3-body energy present in Chymotripsin inhibitor than other proteins studied.
Commercial Building Partnerships Replication and Diffusion
Antonopoulos, Chrissi A.; Dillon, Heather E.; Baechler, Michael C.
2013-09-16T23:59:59.000Z
This study presents findings from survey and interview data investigating replication efforts of Commercial Building Partnership (CBP) partners that worked directly with the Pacific Northwest National Laboratory (PNNL). PNNL partnered directly with 12 organizations on new and retrofit construction projects, which represented approximately 28 percent of the entire U.S. Department of Energy (DOE) CBP program. Through a feedback survey mechanism, along with personal interviews, PNNL gathered quantitative and qualitative data relating to replication efforts by each organization. These data were analyzed to provide insight into two primary research areas: 1) CBP partners’ replication efforts of technologies and approaches used in the CBP project to the rest of the organization’s building portfolio (including replication verification), and, 2) the market potential for technology diffusion into the total U.S. commercial building stock, as a direct result of the CBP program. The first area of this research focused specifically on replication efforts underway or planned by each CBP program participant. Factors that impact replication include motivation, organizational structure and objectives firms have for implementation of energy efficient technologies. Comparing these factors between different CBP partners revealed patterns in motivation for constructing energy efficient buildings, along with better insight into market trends for green building practices. The second area of this research develops a diffusion of innovations model to analyze potential broad market impacts of the CBP program on the commercial building industry in the United States.
A Sequential Fluid-mechanic Chemical-kinetic Model of Propane HCCI Combustion
Aceves, S M; Flowers, D L; Martinez-Frias, J; Smith, J R; Westbrook, C; Pitz, W; Dibble, R; Wright, J F; Akinyemi, W C; Hessel, R P
2000-11-29T23:59:59.000Z
We have developed a methodology for predicting combustion and emissions in a Homogeneous Charge Compression Ignition (HCCI) Engine. This methodology combines a detailed fluid mechanics code with a detailed chemical kinetics code. Instead of directly linking the two codes, which would require an extremely long computational time, the methodology consists of first running the fluid mechanics code to obtain temperature profiles as a function of time. These temperature profiles are then used as input to a multi-zone chemical kinetics code. The advantage of this procedure is that a small number of zones (10) is enough to obtain accurate results. This procedure achieves the benefits of linking the fluid mechanics and the chemical kinetics codes with a great reduction in the computational effort, to a level that can be handled with current computers. The success of this procedure is in large part a consequence of the fact that for much of the compression stroke the chemistry is inactive and thus has little influence on fluid mechanics and heat transfer. Then, when chemistry is active, combustion is rather sudden, leaving little time for interaction between chemistry and fluid mixing and heat transfer. This sequential methodology has been capable of explaining the main characteristics of HCCI combustion that have been observed in experiments. In this paper, we use our model to explore an HCCI engine running on propane. The paper compares experimental and numerical pressure traces, heat release rates, and hydrocarbon and carbon monoxide emissions. The results show an excellent agreement, even in parameters that are difficult to predict, such as chemical heat release rates. Carbon monoxide emissions are reasonably well predicted, even though it is intrinsically difficult to make good predictions of CO emissions in HCCI engines. The paper includes a sensitivity study on the effect of the heat transfer correlation on the results of the analysis. Importantly, the paper also shows a numerical study on how parameters such as swirl rate, crevices and ceramic walls could help in reducing HC and CO emissions from HCCI engines.
A.V.G. Chizmeshya; M.J. McKelvy; G.H. Wolf; R.W. Carpenter; D.A. Gormley; J.R. Diefenbacher; R. Marzke
2006-03-01T23:59:59.000Z
Fossil fuels currently provide 85% of the world's energy needs, with the majority coming from coal, due to its low cost, wide availability, and high energy content. The extensive use of coal-fired power assumes that the resulting CO2 emissions can be vented to the atmosphere. However, exponentially increasing atmospheric CO2 levels have brought this assumption under critical review. Over the last decade, this discussion has evolved from whether exponentially increasing anthropogenic CO2 emissions will adversely affect the global environment, to the timing and magnitude of their impact. A variety of sequestration technologies are being explored to mitigate CO2 emissions. These technologies must be both environmentally benign and economically viable. Mineral carbonation is an attractive candidate technology as it disposes of CO2 as geologically stable, environmentally benign mineral carbonates, clearly satisfying the first criteria. The primary challenge for mineral carbonation is cost-competitive process development. CO2 mineral sequestration--the conversion of stationary-source CO2 emissions into mineral carbonates (e.g., magnesium and calcium carbonate, MgCO3 and CaCO3)--has recently emerged as one of the most promising sequestration options, providing permanent CO2 disposal, rather than storage. In this approach a magnesium-bearing feedstock mineral (typically serpentine or olivine; available in vast quantities globally) is specially processed and allowed to react with CO2 under controlled conditions. This produces a mineral carbonate which (1) is environmentally benign, (2) already exists in nature in quantities far exceeding those that could result from carbonating the world's known fossil fuel reserves, and (3) is stable on a geological time scale. Minimizing the process cost via optimization of the reaction rate and degree of completion is the remaining challenge. As members of the DOE/NETL managed National Mineral Sequestration Working Group we have already significantly improved our understanding of mineral carbonation. Group members at the Albany Research Center have recently shown that carbonation of olivine and serpentine, which naturally occurs over geological time (i.e., 100,000s of years), can be accelerated to near completion in hours. Further process refinement will require a synergetic science/engineering approach that emphasizes simultaneous investigation of both thermodynamic processes and the detailed microscopic, atomic-level mechanisms that govern carbonation kinetics. Our previously funded Phase I Innovative Concepts project demonstrated the value of advanced quantum-mechanical modeling as a complementary tool in bridging important gaps in our understanding of the atomic/molecular structure and reaction mechanisms that govern CO2 mineral sequestration reaction processes for the model Mg-rich lamellar hydroxide feedstock material Mg(OH)2. In the present simulation project, improved techniques and more efficient computational schemes have allowed us to expand and augment these capabilities and explore more complex Mg-rich, lamellar hydroxide-based feedstock materials, including the serpentine-based minerals. These feedstock materials are being actively investigated due to their wide availability, and low-cost CO2 mineral sequestration potential. Cutting-edge first principles quantum chemical, computational solid-state and materials simulation methodology studies proposed herein, have been strategically integrated with our new DOE supported (ASU-Argonne National Laboratory) project to investigate the mechanisms that govern mineral feedstock heat-treatment and aqueous/fluid-phase serpentine mineral carbonation in situ. This unified, synergetic theoretical and experimental approach has provided a deeper understanding of the key reaction mechanisms than either individual approach can alone. We used ab initio techniques to significantly advance our understanding of atomic-level processes at the solid/solution interface by elucidating the origin of vibrational, electronic, x-ray and electron energy loss sp
A model for a G-protein-mediated mechanism for synaptic channel modulation
Othmer, Hans
of a feedback loop involving cytoplasmic calcium, neurotransmitters and G-protein-coupled receptors. We study from vesicles in a calcium-depen- dent manner, and the neurotransmitter diffuses across the synaptic potential. Calcium is a critical component of the release process, and its spatio-temporal dynamics can
The Standard model as a low-energy effective theory: what is triggering the Higgs mechanism?
Fred Jegerlehner
2014-07-02T23:59:59.000Z
The discovery of the Higgs by ATLAS and CMS at the LHC not only provided the last missing building block of the electroweak Standard Model, the mass of the Higgs has been found to have a very peculiar value about 126 GeV, which is such that vacuum stability is extending up to the Planck scale. This may have much deeper drawback than anticipated so far. The impact on the running of the SM gauge, Yukawa and Higgs couplings up to the Planck scale has been discussed in several articles recently. Here we consider the impact on the running masses and we discuss the role of quadratic divergences within the Standard Model. The change of sign of the coefficient of the quadratically divergent terms showing up at about mu_0 ~ 1.4 x 10^16 GeV may be understood as a first order phase transition restoring the symmetric phase, while its large negative values at lower scales triggers the Higgs mechanism, running parameters evolve in such a way that the symmetry is restored two orders of magnitude before the Planck scale. Thus, the electroweak phase transition takes place at the scale mu_0 and not at the electroweak scale v ~ 250 GeV. The SM Higgs system and its phase transition could play a key role for the inflation of the early universe. Also baryogenesis has to be reconsidered under the aspect that perturbative arguments surprisingly work up to the Planck scale.
Characterizing unsaturated diffusion in porous tuff gravel
Hu, Qinhong; Kneafsey, Timothy J.; Roberts, Jeffery J.; Tomutsa, Liviu; Wang, Joseph, S.Y.
2003-11-12T23:59:59.000Z
Evaluation of solute diffusion in unsaturated porous gravel is very important for investigations of contaminant transport and remediation, risk assessment, and waste disposal (for example, the potential high-level nuclear waste repository at Yucca Mountain, Nevada). For a porous aggregate medium such as granular tuff, the total water content is comprised of surface water and interior water. The surface water component (water film around grains and pendular water between the grain contacts) could serve as a predominant diffusion pathway. To investigate the extent to which surface water films and contact points affect solute diffusion in unsaturated gravel, we examined the configuration of water using x-ray computed tomography in partially saturated gravel, and made quantitative measurements of diffusion at multiple water contents using two different techniques. In the first, diffusion coefficients of potassium chloride in 2-4 mm granular tuff at multiple water contents were calculated from electrical conductivity measurements using the Nernst-Einstein equation. In the second, we used laser ablation with inductively coupled plasma-mass spectrometry to perform micro-scale mapping, allowing the measurement of diffusion coefficients for a mixture of chemical tracers for tuff cubes and tetrahedrons having two contact geometries (cube-cube and cube-tetrahedron). The x-ray computed tomography images show limited contact between grains, and this could hinder the pathways for diffusive transport. Experimental results show the critical role of surface water in controlling transport pathways and hence the magnitude of diffusion. Even with a bulk volumetric water content of 1.5%, the measured solute diffusion coefficient is as low as 1.5 x 10{sup -14} m{sup 2}/s for tuff gravel. Currently used diffusion models relating diffusion coefficients to total volumetric water content inadequately describe unsaturated diffusion behavior in porous gravel at very low water contents.
Minko, P., E-mail: peterminko@yahoo.com; Bücker, A. [University Hospital Homburg/Saar, Department of Diagnostic and Interventional Radiology (Germany); Laschke, M.; Menger, M. [University Hospital Homburg/Saar, Institute of Clinical and Experimental Surgery (Germany); Bohle, R. [University Hospital Homburg/Saar, Department of Pathology (Germany); Katoh, M. [University Hospital Homburg/Saar, Department of Diagnostic and Interventional Radiology (Germany)
2013-06-08T23:59:59.000Z
PurposeTo investigate the efficacy and safety of mechanical thrombectomy for iliac vein thrombosis using Rotarex and Aspirex catheters in a pig model.Materials and MethodsIliac vein thrombosis was induced in six pigs by means of an occlusion-balloon catheter and thrombin injection. The presence of thrombi was verified by digital subtraction angiography (DSA) and computed tomography (CT). Thrombectomy was performed using 6F and 8F Rotarex and 6F, 8F, and 10F Aspirex catheters (Straub Medical AG, Wangs, Switzerland). After intervention, DSA and CT were repeated to evaluate the efficacy of mechanical thrombectomy and to exclude local complications. In addition, pulmonary CT was performed to rule out pulmonary embolism. Finally, all pigs were killed, and iliac veins were dissected to perform macroscopic and histological examination.ResultsThrombus induction was successfully achieved in all animals as verified by DSA and CT. Subsequent thrombectomy lead to incomplete recanalization of the iliac veins with residual thrombi in all cases. However, the use of the 6F and 8F Rotarex catheters caused vessel perforation and retroperitoneal hemorrhage in all cases. Application of the Aspirex device caused one small transmural perforation in a vessel treated with a 10F Aspirex catheter, and this was only seen microscopically. Pulmonary embolism was detected in one animal treated with the Rotarex catheters, whereas no pulmonary emboli were seen in animals treated with the Aspirex catheters.ConclusionThe Aspirex catheter allowed subtotal and safe recanalization of iliac vein thrombosis. In contrast, the use of the Rotarex catheter caused macroscopically obvious vessel perforations in all cases.
Wang, Yong, Ph. D. Massachusetts Institute of Technology, Dept. of Aeronautics and Astronautics
2008-01-01T23:59:59.000Z
This thesis aims to explore operation mechanisms of a special type of mechanical face seals: the flexible metal-to-metal face seal (FMMFS). Unique features of the FMMFS include much more flexibility in the circumferential ...
Telleria, Maria J
2010-01-01T23:59:59.000Z
This thesis explains when, and why, solder-based phase change materials (PCMs) are best-suited as a means to modify a robotic mechanism's kinematic and elastomechanic behavior. The preceding refers to mechanisms that possess ...
Song, Zhichao
2012-01-01T23:59:59.000Z
adhesion in microelectromechanical systems. ASME J. Tribol.microtribology for microelectromechanical systems. Wear 200,forces in microelectromechanical systems: mechanisms,
Diffusion of Innovations over Multiplex Social Networks
Ramezanian, Rasoul; Magnani, Matteo; Montesi, Danilo
2014-01-01T23:59:59.000Z
The ways in which an innovation (e.g., new behaviour, idea, technology, product) diffuses among people can determine its success or failure. In this paper, we address the problem of diffusion of innovations over multiplex social networks where the neighbours of a person belong to one or multiple networks (or layers) such as friends, families, or colleagues. To this end, we generalise one of the basic game-theoretic diffusion models, called networked coordination game, for multiplex networks. We present analytical results for this extended model and validate them through a simulation study, finding among other properties a lower bound for the success of an innovation.While simple and leading to intuitively understandable results, to the best of our knowledge this is the first extension of a game-theoretic innovation diffusion model for multiplex networks and as such it provides a basic framework to study more sophisticated innovation dynamics.
Fractal Location and Anomalous Diffusion Dynamics for Oil Wells from the KY Geological Survey
Andrew, Keith; Andrew, Kevin A
2009-01-01T23:59:59.000Z
Utilizing data available from the Kentucky Geonet (KYGeonet.ky.gov) the fossil fuel mining locations created by the Kentucky Geological Survey geo-locating oil and gas wells are mapped using ESRI ArcGIS in Kentucky single plain 1602 ft projection. This data was then exported into a spreadsheet showing latitude and longitude for each point to be used for modeling at different scales to determine the fractal dimension of the set. Following the porosity and diffusivity studies of Tarafdar and Roy1 we extract fractal dimensions of the fossil fuel mining locations and search for evidence of scaling laws for the set of deposits. The Levy index is used to determine a match to a statistical mechanically motivated generalized probability function for the wells. This probability distribution corresponds to a solution of a dynamical anomalous diffusion equation of fractional order that describes the Levy paths which can be solved in the diffusion limit by the Fox H function ansatz.
Mechanical Engineering ME 3720 FLUID MECHANICS
Panchagnula, Mahesh
Mechanical Engineering ME 3720 FLUID MECHANICS Pre-requisite: ME 2330 Co-requisite: ME 3210) to develop an understanding of the physical mechanisms and the mathematical models of fluid mechanics of fluid mechanics problems in engineering practice. The basic principles of fluid mechanics
Onishi, Y.; Serne, R.J.; Arnold, E.M.; Cowan, C.E.; Thompson, F.L. [Pacific Northwest Lab., Richland, WA (United States)
1981-01-01T23:59:59.000Z
This report describes the results of a detailed literature review of radionuclide transport models applicable to rivers, estuaries, coastal waters, the Great Lakes, and impoundments. Some representatives sediment transport and water quality models were also reviewed to evaluate if they can be readily adapted to radionuclide transport modeling. The review showed that most available transport models were developed for dissolved radionuclide in rivers. These models include the mechanisms of advection, dispersion, and radionuclide decay. Since the models do not include sediment and radionuclide interactions, they are best suited for simulating short-term radionuclide migration where: (1) radionuclides have small distribution coefficients; (2) sediment concentrations in receiving water bodies are very low. Only 5 of the reviewed models include full sediment and radionuclide interactions: CHMSED developed by Fields; FETRA SERATRA, and TODAM developed by Onishi et al, and a model developed by Shull and Gloyna. The 5 models are applicable to cases where: (1) the distribution coefficient is large; (2) sediment concentrations are high; or (3) long-term migration and accumulation are under consideration. The report also discusses radionuclide absorption/desorption distribution ratios and addresses adsorption/desorption mechanisms and their controlling processes for 25 elements under surface water conditions. These elements are: Am, Sb, C, Ce, Cm, Co, Cr, Cs, Eu, I, Fe, Mn, Np, P, Pu, Pm, Ra, Ru, Sr, Tc, Th, {sup 3}H, U, Zn and Zr.
18.366 Random Walks and Diffusion, Spring 2005
Bazant, Martin Z.
Discrete and continuum modeling of diffusion processes in physics, chemistry, and economics. Topics include central limit theorems, continuous-time random walks, Levy flights, correlations, extreme events, mixing, ...
Non-Fickian ionic diffusion across high-concentration gradients
Carey, A.E.; Wheatcraft, S.W. [Univ. of Nevada, Reno, NV (United States)] [Univ. of Nevada, Reno, NV (United States); Glass, R.J. [Sandia National Laboratory, Albuquerque, NM (United States)] [and others] [Sandia National Laboratory, Albuquerque, NM (United States); and others
1995-09-01T23:59:59.000Z
A non-Fickian physico-chemical model for electrolyte transport in high-ionic strength systems is developed and tested with laboratory experiments with copper sulfate as an example electrolyte. The new model is based on irreversible thermodynamics and uses measured mutual diffusion coefficients, varying with concentration. Compared to a traditional Fickian model, the new model predicts less diffusion and asymmetric diffusion profiles. Laboratory experiments show diffusion rates even smaller than those predicted by our non-Fickian model, suggesting that there are additional, unaccounted for processes retarding diffusion. Ionic diffusion rates maybe a limiting factor in transporting salts whose effect on fluid density will in turn significantly affect the flow regime. These findings have important implications for understanding and predicting solute transport in geologic settings where dense, saline solutions occur. 30 refs., 5 figs.
Zhang, Minghua; Bretherton, Christopher S.; Blossey, Peter; Austin, Phillip A.; Bacmeister, J.; Bony, Sandrine; Brient, Florent; Cheedela, Suvarchal K.; Cheng, Anning; Del Genio, Anthony D.; De Roode, Stephan R.; Endo , Satoshi; Franklin, Charmaine N.; Golaz, Jean-Christophe; Hannay, Cecile; Heus, Thijs; Isotta, Francesco A.; Jean-Louis, Dufresne; Kang, In-Sik; Kawai, Hideaki; Koehler, M.; Larson, Vincent E.; Liu, Yangang; Lock, Adrian; Lohmann, U.; Khairoutdinov, Marat; Molod, Andrea M.; Neggers, Roel; Rasch, Philip J.; Sandu, Irina; Senkbeil, Ryan; Siebesma, A. P.; Siegenthaler-Le Drian, Colombe; Stevens, Bjorn; Suarez, Max; Xu, Kuan-Man; Von Salzen, Knut; Webb, Mark; Wolf, Audrey; Zhao, M.
2013-12-26T23:59:59.000Z
Large Eddy Models (LES) and Single Column Models (SCM) are used in a surrogate climate change 101 to investigate the physical mechanism of low cloud feedbacks in climate models. Enhanced surface-102 driven boundary layer turbulence and shallow convection in a warmer climate are found to be 103 dominant mechanisms in SCMs.
Greer, Julia R.
Models of Stochastic, Spatially Varying Stress in the Crust Compatible with Focal-Mechanism Data. Heaton Abstract Evidence suggests that slip in earthquakes and the resultant stress changes are spatially heterogeneous. If crustal stress from past earthquakes is spatially hetero- geneous, then earthquake focal
Salvaggio, Carl
of remote thermal imagery. Knowledge of the temperature of the cooling towers is necessary for inputRadiometric Modeling of Mechanical Draft Cooling Towers to Assist in the Extraction of their Absolute Temperature from Remote Thermal Imagery Matthew Montanaroa, Carl Salvaggioa, Scott D. Browna
Borja, Ronaldo I.
Mechanical models of fracture reactivation and slip on bedding surfaces during folding June 2008 Accepted 5 June 2008 Available online 13 June 2008 Keywords: Fold Fracture reactivation Bed methods to investigate the reactivation of fractures (opening and shearing) and the development of bedding
Masum, Shakil Al
2012-01-01T23:59:59.000Z
??This thesis presents the development of a reactive gas transport equation under coupled framework of thermal, hydraulic, chemical and mechanical (THCM) behaviour of variably saturated… (more)
Microstructure and Mechanical Property Studies on Neutron-Irradiated Ferritic Fe-Cr Model Alloys
Jian Gan; Maria Okuniewski; Wei-Ying Chen; Yinbin Miao; Carolyn A. Tomchik; James F. Stubbins; Y. Q. Wu; Stu A. Maloy
2014-06-01T23:59:59.000Z
Model Fe, Fe-10Cr and Fe-14Cr alloys were irradiated in Advanced Test Reactor at 300°C and 450°C to target doses of 0.01, 0.1 and 1 dpa. The microstructure and the mechanical property of irradiated specimens were investigated using TEM, APT and hardness measurements. The irradiation-induced hardening was consistent with the observed microstructures. For lower doses of 0.01 and 0.1 dpa, the formation of dislocation loops was the primarily contributor to the hardening; no a’ precipitates of resolvable sizes were observed. By 1 dpa, additional increase in hardening were attributed to the formation of a high density of 1-2 nm a' precipitates. In Fe, the hardness increased less as a function of irradiation dose compared to Fe-Cr alloys because of the lack of a' precipitation and differences in loop structures. Three single-parameter effects have been studied: the Cr content, the irradiation temperature and the grain size. The addition of Cr reduced the mobility of both ½<111> and <100> dislocation loops, leading to a smaller loop size and higher loop density. Also, the Cr contents were positively correlated to the density of a' precipitates, but were less relevant to the precipitate size. Higher irradiation temperature of 450°C resulted in a preferential production of the immobile <100> loops over the mobile ½<111> loops (ex. a ratio of 8:1 in Fe-10Cr irradiated 450°C to 0.01 dpa). At lower temperature of 300°C, heterogeneous formation of dislocation loops at the vicinity of line dislocations frequently. In Fe, the development of dislocation loops was suppressed (compared to Fe-Cr alloys) due to a combination of smaller grain size, high initial dislocation density and high defect mobility.
Lattice Boltzmann computations for reaction-diffusion equations
Ponce Dawson, S.; Chen, S.; Doolen, G.D. (Center for Nonlinear Studies and Theoretical Division, Los Alamos National Laboratory, Los Alamos, New Mexico 87545 (United States))
1993-01-15T23:59:59.000Z
A lattice Boltzmann model for reaction-diffusion systems is developed. The method provides an efficient computational scheme for simulating a variety of problems described by the reaction-diffusion equations. Diffusion phenomena, the decay to a limit cycle, and the formation of Turing patterns are studied. The results of lattice Boltzmann calculations are compared with the lattice gas method and with theoretical predictions, showing quantitative agreement. The model is extended to include velocity convection in chemically reacting fluid flows.
Mechanism-based constitutive modeling of L1? single-crystal plasticity
Yin, Yuan, 1977-
2006-01-01T23:59:59.000Z
Ni3Al, an L12 structure intermetallic crystal, is the basic composition of the [gamma]' precipitates in nickel-based superalloys and is a major strengthening mechanism contributing to the superalloys' outstanding ...
3D Modeling of Coupled Rock Deformation and Thermo-Poro-Mechanical Processes in Fractures
Rawal, Chakra
2012-07-16T23:59:59.000Z
Problems involving coupled thermo-poro-chemo-mechanical processes are of great importance in geothermal and petroleum reservoir systems. In particular, economic power production from enhanced geothermal systems, effective water-flooding of petroleum...
Physical understanding and modeling of chemical mechanical planarization in dielectric materials
Xie, Xiaolin, Ph. D. Massachusetts Institute of Technology
2007-01-01T23:59:59.000Z
Chemical mechanical planarization (CMP) has become the enabling planarization technique of choice for current and emerging silicon integrated circuit (IC) fabrication processes. This work studies CMP in dielectric materials ...
Wee, Brian (Brian J.)
2013-01-01T23:59:59.000Z
This thesis seeks to assess the viability of a space qualified shape memory polymer (SMP) mechanical counter pressure (MCP) suit. A key development objective identified by the International Space Exploration Coordination ...
Physical and numerical modeling of the external fluid mechanics of OTEC pilot plants
Singarella, Paul N.
1982-01-01T23:59:59.000Z
This study examined the near field external fluid mechanics of symmetrical OTEC pilot plant designs (20-80 MWe) under realistic deep water conditions. The objective was to assess the environmental impact of different plant ...
Zi-Wu, Guan
2014-01-01T23:59:59.000Z
The large active wing deformation is a significant way to generate high aerodynamic forces required in bat flapping flight. Besides the twisting, the elementary morphing models of a bat wing are proposed, such as wing-bending in the spanwise direction, wing-cambering in the chordwise direction, and wing area-changing. A plate of aspect ratio 3 is used to model a bat wing and a three dimensional unsteady panel method is applied to predict the aerodynamic forces. It is found that the cambering model has a great positive influence on the lift, followed by area-changing model and then the bending model. The further study indicates that the vortex control is a main mechanism to produce high aerodynamic forces, and the mechanisms for the aerodynamic force enhancement are the asymmetry of the cambered wing and the amplifier effects of wing area-changing and wing bending. The lift and thrust are mainly generated during the downstroke and almost negligible forces during the upstroke by the integrated morphing model-wi...
Nonlinear friction in quantum mechanics
Roumen Tsekov
2010-03-01T23:59:59.000Z
The effect of nonlinear friction forces in quantum mechanics is studied via dissipative Madelung hydrodynamics. A new thermo-quantum diffusion equation is derived, which is solved for the particular case of quantum Brownian motion with a cubic friction. It is extended also by a chemical reaction term to describe quantum reaction-diffusion systems with nonlinear friction as well.
Open Source Software: Management, Diffusion and Competition
Kouroupetroglou, Georgios
and competitive environment such as the ICT market. 1 Introduction OSS is an alternative model of software has introduced an innovative model of software development, based on self-organized communitiesOpen Source Software: Management, Diffusion and Competition Spyridoula LakkaÃ© National
Convergence Speed of GARCH Option Price to Diffusion Option Price
Chaudhuri, Sanjay
Convergence Speed of GARCH Option Price to Diffusion Option Price Jin-Chuan Duan, Yazhen Wang that as the time interval between two consecutive observations shrinks to zero, a properly constructed GARCH model will weakly converge to a bivariate diffusion. Naturally the European option price under the GARCH model
Mechanisms of aerosol-forced AMOC variability in a state of the art climate model
with a new state-of-the-art Earth system model. Anthropogenic aerosols have previously been highlighted anthropogenic aerosols force a strengthening of the AMOC by up to 20% in our state-of-the-art Earth system model
Adaptive multigroup radiation diffusion
Williams, Richard B., Sc. D. Massachusetts Institute of Technology
2005-01-01T23:59:59.000Z
This thesis describes the development and implementation of an algorithm for dramatically increasing the accuracy and reliability of multigroup radiation diffusion simulations at low group counts. This is achieved by ...
Mechanics of Electrodes in Lithium-ion Batteries A dissertation presented
investigates the mechanical behavior of electrodes in Li-ion batteries. Each electrode in a Li-ion battery of electrodes in Li-ion batteries. We model an inelastic host of Li by considering diffusion, elastic reaction promotes plastic deformation by lowering the stress needed to flow. Li-ion battery is an emerging
R. Fedele; M. A. Man'ko; V. I. Man'ko; V. G. Vaccaro
2002-07-30T23:59:59.000Z
It is shown that the transmission line technology can be suitably used for simulating quantum mechanics. Using manageable and at the same time non-expensive technology, several quantum mechanical problems can be simulated for significant tutorial purposes. The electric signal envelope propagation through the line is governed by a Schrodinger-like equation for a complex function, representing the low-frequency component of the signal, In this preliminary analysis, we consider two classical examples, i.e. the Frank-Condon principle and the Ramsauer effect.
Enhanced Vapor-Phase Diffusion in Porous Media - LDRD Final Report
Ho, C.K.; Webb, S.W.
1999-01-01T23:59:59.000Z
As part of the Laboratory-Directed Research and Development (LDRD) Program at Sandia National Laboratories, an investigation into the existence of enhanced vapor-phase diffusion (EVD) in porous media has been conducted. A thorough literature review was initially performed across multiple disciplines (soil science and engineering), and based on this review, the existence of EVD was found to be questionable. As a result, modeling and experiments were initiated to investigate the existence of EVD. In this LDRD, the first mechanistic model of EVD was developed which demonstrated the mechanisms responsible for EVD. The first direct measurements of EVD have also been conducted at multiple scales. Measurements have been made at the pore scale, in a two- dimensional network as represented by a fracture aperture, and in a porous medium. Significant enhancement of vapor-phase transport relative to Fickian diffusion was measured in all cases. The modeling and experimental results provide additional mechanisms for EVD beyond those presented by the generally accepted model of Philip and deVries (1957), which required a thermal gradient for EVD to exist. Modeling and experimental results show significant enhancement under isothermal conditions. Application of EVD to vapor transport in the near-surface vadose zone show a significant variation between no enhancement, the model of Philip and deVries, and the present results. Based on this information, the model of Philip and deVries may need to be modified, and additional studies are recommended.
Diffusion Maps for Changing Data Diffusion Maps for Changing Data
Hirn, Matthew
Diffusion Maps for Changing Data Diffusion Maps for Changing Data Matthew J. Hirn Department;Diffusion Maps for Changing Data Collaborators Ronald Coifman (Yale University) Roy Lederman (Yale University) #12;Diffusion Maps for Changing Data How to compare images across sensors? Figure: Sokolov Mine
Diffusion Maps for Changing Data Diffusion Maps for Changing Data
Hirn, Matthew
Diffusion Maps for Changing Data Diffusion Maps for Changing Data Matthew J. Hirn Department of Mathematics Yale University July 26, 2012 Bell Labs #12;Diffusion Maps for Changing Data Collaborators Joint work with Ronald Coifman and Roy Lederman. #12;Diffusion Maps for Changing Data Overview 1 High
Diffusion Maps for Changing Data Diffusion Maps for Changing Data
Hirn, Matthew
Diffusion Maps for Changing Data Diffusion Maps for Changing Data Matthew J. Hirn Department of Mathematics Yale University November 29, 2012 Kansas State University Colloquium #12;Diffusion Maps;Diffusion Maps for Changing Data How to compare images across sensors? Figure: Sokolov Mine in 2009 and 2010
Diffusion Maps for Changing Data Diffusion Maps for Changing Data
Hirn, Matthew
Diffusion Maps for Changing Data Diffusion Maps for Changing Data Matthew J. Hirn Department in Honor of the 70th Birthday of David R. Larson #12;Diffusion Maps for Changing Data Collaborators Joint work with Ronald Coifman and Roy Lederman. #12;Diffusion Maps for Changing Data High Dimensional Data
Diffusion Maps for Changing Data Diffusion Maps for Changing Data
Hirn, Matthew
Diffusion Maps for Changing Data Diffusion Maps for Changing Data Matthew J. Hirn September 3, 2013 #12;Diffusion Maps for Changing Data Collaborators Simon Adar, Tel Aviv University Eyal Ben Dor, Tel, Clarkson University Yoel Shkolnisky, Tel Aviv University #12;Diffusion Maps for Changing Data Heat equation
Analytical modelling of hydrogen transport in reactor containments
Manno, V.
1983-01-01T23:59:59.000Z
There are two diffusion processes, molecular and turbulent, which should be modelled in different ways. Molecular diffusion is modelled by Wilke's formula for the multi-component gas diffusion, where the diffusion constants ...
Reimus, Paul W [Los Alamos National Laboratory
2010-12-08T23:59:59.000Z
A semi-analytical model was developed to conduct rapid scoping calculations of responses of thermally degrading and diffusing tracers in multi-well tracer tests in enhanced geothermal systems (EGS). The model is based on an existing Laplace transform inversion model for solute transport in dual-porosity media. The heat- and mass-transfer calculations are decoupled and conducted sequentially, taking advantage of the fact that heat transfer between fractures and the rock matrix is much more rapid than mass transfer and therefore mass transfer will effectively occur in a locally isothermal system (although the system will be nonisothermal along fracture flow pathways, which is accounted for by discretizing the flow pathways into multiple segments that have different temperature histories). The model takes advantage of the analogies between heat and mass transfer, solving the same governing equations with k{sub m}/({rho}C{sub p}){sub w} being substituted for {phi}D{sub m} in the equation for fracture transport and k{sub m}/({rho}C{sub p}){sub m} being subsituted for D{sub m} in the equation for matrix transport; where k = thermal conductivity (cal/cm-s-K), {rho} = density (g/cm{sup 3}), C{sub p} = heat capacity (at constant pressure) (cal/g-K), {phi} = matrix porosity, and D = tracer diffusion coefficient (cm{sup 2}/s), with the subscripts w and m referring to water and matrix, respectively. A significant advantage of the model is that it executes in a fraction of second on a single-CPU personal computer, making it very amenable for parameter estimation algorithms that involve repeated runs to find global minima. The combined thermal-mass transport model was used to evaluate the ability to estimate when thermal breakthrough would occur in a multi-well EGS configuration using thermally degrading tracers. Calculations were conducted to evaluate the range of values of Arrhenius parameters, A and E{sub {alpha}} (pre-exponential factor, 1/s, and activation energy, cal/mol) required to obtain interpretable responses of thermally-degrading tracers that decay according to the rate constant k{sub d} = Ae{sup -E{sub {alpha}}/RT}, where k{sub d} = decay rate constant (1/s), R = ideal gas constant (1.987 cal/mol-K), and T = absolute temperature (K). It is shown that there are relatively narrow ranges of A and E{sub {alpha}} that will result in readily interpretable tracer responses for any given combination of ambient reservoir temperature and working fluid residence time in a reservoir. The combined model was also used to simulate the responses of conservative tracers with different diffusion coefficients as a way of estimating fracture surface-area-to-volume ratios (SA/V) in multi-well EGS systems. This method takes advantage of the fact that the differences in breakthrough curves of tracers with different matrix diffusion coefficients are a function of SA/V. The model accounts for differences in diffusion coefficients as a function of temperature so that tracer responses obtained at different times can be used to obtain consistent estimates of SA/V as the reservoir cools down. Some single-well applications of this approach are simulated with a numerical model to demonstrate the potential to evaluate the effectiveness of EGS stimulations before a second well is drilled.
Nordlund, Kai
1 Carbon nanotube mats and fibers with irradiationÂimproved mechanical characteristics characteristics of macroscopic mats and fibers of singleÂwalled carbon nanotubes. We further investigate, which in contrast to most ordinary carbon fibers could be strongly bent without breaking, had much
Nordlund, Kai
1 Carbon nanotube mats and fibers with irradiation-improved mechanical characteristics characteristics of macroscopic mats and fibers of single-walled carbon nanotubes. We further investigate]. The SWNT fibers, which in contrast to most ordinary carbon fibers could be strongly bent without breaking
O. Tapia
2014-04-02T23:59:59.000Z
Combining abstract to laboratory projected quantum states a general analysis of headline quantum phenomena is presented. Standard representation mode is replaced; instead quantum states sustained by elementary material constituents occupy its place. Renouncing to assign leading roles to language originated in classical physics when describing genuine quantum processes, together with sustainment concept most, if not all weirdness associated to Quantum Mechanics vanishes.
Vacancy Jumps in PdIn: Reconciling Nuclear Relaxation and Diffusion Measurements
Collins, Gary S.
Vacancy Jumps in PdIn: Reconciling Nuclear Relaxation and Diffusion Measurements Gary S. Collins Keywords: point defect, vacancy, diffusion, defect interaction, intermetallic compound, perturbed angular correlation, PAC, nuclear relaxation, diffusion mechanisms Abstract. Vacancy jump frequencies in PdIn were
Development and validation of a transition model based on a mechanical approximation
Vizinho, R; Silvestre, M
2015-01-01T23:59:59.000Z
A new 3D transition turbulence model, more accurate and faster than an empirical transition model, is proposed. The model is based on the calculation of the pre-transitional u'v' due to mean flow shear. The present transition model is fully described and verified against eight benchmark test cases. Computations are performed for the ERCOFTAC flat-plate T3A, T3C and T3L test cases. Further, the model is validated for bypass, cross-flow and separation induced transition and compared with empirical transition models. The model presents very good results for bypass transition under zero-pressure gradient and with pressure gradient flow conditions. Also the model is able to correctly predict separation induced transition. However, for very low speed and low free-stream turbulence intensity the model delays separation induced transition onset. The model also shows very good results for transition under complex cross-flow conditions in three-dimensional geometries. The 3D tested case was the 6:1 prolate-spheroid und...
A Simple Quantum-Mechanical Model of Spacetime I: Microscopic Properties of Spacetime
J. Makela
2009-10-21T23:59:59.000Z
This is the first part in a series of two papers, where we consider a specific microscopic model of spacetime. In our model Planck size quantum black holes are taken to be the fundamental building blocks of space and time. Spacetime is assumed to be a graph, where black holes lie on the vertices. In this first paper we construct our model in details, and show how classical spacetime emerges at the long distance limit from our model. We also consider the statistics of spacetime.
Broader source: Energy.gov [DOE]
Presentation given by [company name] at 2014 DOE Hydrogen and Fuel Cells Program and Vehicle Technologies Office Annual Merit Review and Peer Evaluation Meeting about coupled hierarchical models...
Anomalous diffusion modifies solar neutrino fluxes
Kaniadakis, G; Lissia, M; Quarati, P
1998-01-01T23:59:59.000Z
Density and temperature conditions in the solar core suggest that the microscopic diffusion of electrons and ions could be nonstandard: diffusion and friction coefficients are energy dependent, collisions are not two-body processes and retain memory beyond the single scattering event. A direct consequence of nonstandard diffusion is that the equilibrium energy distribution of particles departs from the Maxwellian one (tails goes to zero more slowly or faster than exponentially) modifying the reaction rates. This effect is qualitatively different from temperature and/or composition modification: small changes in the number of particles in the distribution tails can strongly modify the rates without affecting bulk properties, such as the sound speed or hydrostatic equilibrium, which depend on the mean values from the distribution. This mechanism can considerably increase the range of predictions for the neutrino fluxes allowed by the current experimental values (cross sections and solar properties) and can be u...
Logue, J. M.; Turner, W. J.N.; Walker, I. S.; Singer, B. C.
2015-01-01T23:59:59.000Z
Changing the air exchange rate of a home (the sum of the infiltration and mechanical ventilation airflow rates) affects the annual thermal conditioning energy. Large-scale changes to air exchange rates of the housing stock can significantly alter the residential sector's energy consumption. However, the complexity of existing residential energy models is a barrier to the accurate quantification of the impact of policy changes on a state or national level. The Incremental Ventilation Energy (IVE) model developed in this study combines the output of simple air exchange models with a limited set of housing characteristics to estimate the associated change in energy demand of homes. The IVE model was designed specifically to enable modellers to use existing databases of housing characteristics to determine the impact of ventilation policy change on a population scale. The IVE model estimates of energy change when applied to US homes with limited parameterisation are shown to be comparable to the estimates of a well-validated, complex residential energy model.
Modeling astrophysical outflows via the unified Dynamo-Reverse Dynamo mechanism
Lingam, Manasvi
2015-01-01T23:59:59.000Z
The unified Dynamo-Reverse Dynamo (Dy-RDy) mechanism, capable of simultaneously generating large scale outflows and magnetic fields from an ambient microscopic reservoir, is explored in a broad astrophysical context. The Dy-RDy mechanism is derived via Hall magnetohydrodynamics, which unifies the evolution of magnetic field and fluid vorticity. It also introduces an intrinsic length scale, the ion skin depth, allowing for the proper normalization and categorization of microscopic and macroscopic scales. The large scale Alfv\\'en Mach number $\\mathcal{M}_{A}$, defining the relative "abundance" of the flow field to the magnetic field is shown to be tied to a microscopic scale length that reflects the characteristics of the ambient short scale reservoir. The dynamo (Dy), preferentially producing the large scale magnetic field, is the dominant mode when the ambient turbulence is mostly kinetic, while the outflow producing reverse dynamo (RDy) is the principal manifestation of a magnetically dominated turbulent res...
Thermo-mechanical modelling of the aircraft tyre Lama Elias-Birembaux, Iulian Rosu, Frederic Lebon
Paris-Sud XI, UniversitÃ© de
was created by rotating the axisymmetric 2-D model around the tire axis. In the 2-D model (fig.1 (b)) CAX4T(H) and CAX3T elements from hal-01021033,version1-9Jul2014 #12;ABAQUS element library were selected
ES2A7 -Fluid Mechanics Example Classes Model Answers to Example Questions (Set II)
Thomas, Peter J.
of msvp = 2 -1 . Calculate the mean model wind tunnel speed if the model is made to 1/10 scale. Assume in a wind tunnel. The airspeed range to be investigated is at the docking end of its range, a maximum -=-=-= --- Question 4: Sliding Board #12;A board with an area slides down an inclined ramp as is schematically
Broader source: Energy.gov [DOE]
NREL, under the Physics of Reliability: Evaluating Design Insights for Component Technologies in Solar (PREDICTS) Program will be developing a physics-based computational degradation model to assess the kinetic oxidation rates; realistic model light attenuation and transport; and multi-layer treatment with variable properties Simulation based experimental design.
MECHANICAL TEST RESULTS ON DIPOLE MODEL C-l 25 mm ALUMINUM COLLARS
Peters, C.
2010-01-01T23:59:59.000Z
P~. FI'9 . ~ C.C rv'IW\\ 707~-Th ALUMINUM ' ~LAI2.. o Pl.ATTDIPOLE MODEL C-1 25 mm ALUMINUM COLLARS C. Peters FebruaryON DIPOLE MODEL C-I 25 mm ALUMINUM COLLARS· Craig Peters
Evidence of Multi-Process Matrix Diffusion in a Single Fracturefrom a Field Tracer Test
Zhou, Quanlin; Liu, Hui-Hai; Bodvarsson, Gudmundur; Molz, Fred J.
2005-06-11T23:59:59.000Z
Compared to values inferred from laboratory tests on matrix cores, many field tracer tests in fractured rock have shown enhanced matrix diffusion coefficient values (obtained using a single-process matrix-diffusion model with a homogeneous matrix diffusion coefficient). To investigate this phenomenon, a conceptual model of multi-process matrix diffusion in a single-fracture system was developed. In this model, three matrix diffusion processes of different diffusion rates were assumed to coexist: (1) diffusion into stagnant water and infilling materials within fractures, (2) diffusion into a degraded matrix zone, and (3) further diffusion into an intact matrix zone. The validity of the conceptual model was then demonstrated by analyzing a unique tracer test conducted using a long-time constant-concentration injection. The tracer-test analysis was conducted using a numerical model capable of tracking the multiple matrix-diffusion processes. The analysis showed that in the degraded zone, a diffusion process with an enhanced diffusion rate controlled the steep rising limb and decay-like falling limb in the observed breakthrough curve, whereas in the intact matrix zone, a process involving a lower diffusion rate affected the long-term middle platform of slowly increasing tracer concentration. The different matrix-diffusion-coefficient values revealed from the field tracer test are consistent with the variability of matrix diffusion coefficient measured for rock cores with different degrees of fracture coating at the same site. By comparing to the matrix diffusion coefficient calibrated using single-process matrix diffusion, we demonstrated that this multi-process matrix diffusion may contribute to the enhanced matrix-diffusion-coefficient values for single-fracture systems at the field scale.
Growth strains and creep in thermally grown alumina : oxide growth mechanisms.
Veal, B. W.; Paulikas, A. P.; Materials Science Division
2008-01-01T23:59:59.000Z
In situ measurements of growth strains and creep relaxation in {alpha}-Al{sub 2}O{sub 3} films, isothermally grown on {beta}-NiAl alloys at 1100 C, are reported and analyzed. Samples containing the reactive element Zr, and Zr-free samples, are examined. For Zr-free samples, steady state growth strains are compressive, whereas the growth strains are tensile when the reactive element (RE) is added to the alloy. This behavior is attributed to the counterflow of oxygen and aluminum interstitials, and to simultaneous counterflow of oxygen and aluminum vacancies, all moving through the grain boundaries. Cross diffusing oxygen and aluminum interstitials may merge and combine within the film, forming new oxide along grain boundary walls, a mechanism that leads to an in-plane compressive stress. Cross diffusing oxygen and aluminum vacancies will also merge and combine within the film; in this case material is removed from grain boundary walls, a mechanism that leads to an in-plane tensile stress. When no RE is present, the interstitial mechanism dominates and the resultant stress is compressive. Consistent with the 'dynamic segregation model', the RE slows the outdiffusion of Al interstitials permitting the tensile mechanism to dominate. This interpretation invokes the unconventional view that oxygen and aluminum interstitials and vacancies, created in and driven by the strong chemical gradient, all participate meaningfully in the scale growth process. Grain boundary diffusion measurements were obtained from low stress creep data, interpreted using the Coble model of grain boundary diffusion. Reported diffusion measurements of oxygen through grain boundaries of {alpha}-Al{sub 2}O{sub 3}, which are known to be inconsistent with oxide scale growth, are critically examined. A simple picture, a 'balanced defect model', emerges that is consistent with the dynamic segregation model, observed growth stresses and their dependence on the presence of a reactive element, sequential oxidation experiments, and our best knowledge about grain boundary diffusion coefficients.
A density functional theory model of mechanically activated silyl ester hydrolysis
Pill, Michael F.; Schmidt, Sebastian W. [Department of Applied Sciences and Mechatronics, Munich University of Applied Sciences, Lothstr. 34, 80335 Munich (Germany) [Department of Applied Sciences and Mechatronics, Munich University of Applied Sciences, Lothstr. 34, 80335 Munich (Germany); Institut für Physikalische Chemie, Christian-Albrechts-Universität zu Kiel, Olshausenstraße 40, 24098 Kiel (Germany); Center for Nanoscience (CeNS), Geschwister-Scholl-Platz 1, 80539 Munich (Germany); Beyer, Martin K. [Institut für Physikalische Chemie, Christian-Albrechts-Universität zu Kiel, Olshausenstraße 40, 24098 Kiel (Germany) [Institut für Physikalische Chemie, Christian-Albrechts-Universität zu Kiel, Olshausenstraße 40, 24098 Kiel (Germany); Institut für Ionenphysik und Angewandte Physik, Leopold-Franzens-Universität Innsbruck, Technikerstraße 25, 6020 Innsbruck (Austria); Clausen-Schaumann, Hauke [Department of Applied Sciences and Mechatronics, Munich University of Applied Sciences, Lothstr. 34, 80335 Munich (Germany) [Department of Applied Sciences and Mechatronics, Munich University of Applied Sciences, Lothstr. 34, 80335 Munich (Germany); Center for Nanoscience (CeNS), Geschwister-Scholl-Platz 1, 80539 Munich (Germany); Kersch, Alfred, E-mail: akersch@hm.edu [Department of Applied Sciences and Mechatronics, Munich University of Applied Sciences, Lothstr. 34, 80335 Munich (Germany)] [Department of Applied Sciences and Mechatronics, Munich University of Applied Sciences, Lothstr. 34, 80335 Munich (Germany)
2014-01-28T23:59:59.000Z
To elucidate the mechanism of the mechanically activated dissociation of chemical bonds between carboxymethylated amylose (CMA) and silane functionalized silicon dioxide, we have investigated the dissociation kinetics of the bonds connecting CMA to silicon oxide surfaces with density functional calculations including the effects of force, solvent polarizability, and pH. We have determined the activation energies, the pre-exponential factors, and the reaction rate constants of candidate reactions. The weakest bond was found to be the silyl ester bond between the silicon and the alkoxy oxygen atom. Under acidic conditions, spontaneous proton addition occurs close to the silyl ester such that neutral reactions become insignificant. Upon proton addition at the most favored position, the activation energy for bond hydrolysis becomes 31 kJ?mol{sup ?1}, which agrees very well with experimental observation. Heterolytic bond scission in the protonated molecule has a much higher activation energy. The experimentally observed bi-exponential rupture kinetics can be explained by different side groups attached to the silicon atom of the silyl ester. The fact that different side groups lead to different dissociation kinetics provides an opportunity to deliberately modify and tune the kinetic parameters of mechanically activated bond dissociation of silyl esters.
HINDERED DIFFUSION OF ASPHALTENES AT ELEVATED TEMPERATURE AND PRESSURE
James A. Guin; Ganesh Ramakrishnan
1999-10-07T23:59:59.000Z
During this time period, experiments were performed to study the diffusion controlled uptake of quinoline and a coal asphaltene into porous carbon catalyst pellets. Cyclohexane and toluene were used as solvents for quinoline and the coal asphaltene respectively. The experiments were performed at 27 C and 75 C, at a pressure of 250 psi (inert gas) for the quinoline/cyclohexane system. For the coal asphaltene/toluene system, experiments were performed at 27 C, also at a pressure of 250 psi. These experiments were performed in a 20 cm{sup 3} microautoclave, the use of which is advantageous since it is economical from both a chemical procurement and waste disposal standpoint due to the small quantities of solvents and catalysts used. A C++ program was written to simulate data using a mathematical model which incorporated both diffusional and adsorption mechanisms. The simulation results showed that the mathematical model satisfactorily fitted the adsorptive diffusion of quinoline and the coal asphaltene onto a porous activated carbon. For the quinoline/cyclohexane system, the adsorption constant decreased with an increase in temperature. The adsorption constant for the coal asphaltene/toluene system at 27 C was found to be much higher than that of the quinoline/cyclohexane system at the same temperature. Apparently the coal asphaltenes have a much greater affinity for the surface of the carbon catalyst than is evidenced by the quinoline molecule.
Oxygen diffusion and reactivity at low temperature on bare amorphous olivine-type silicate
Minissale, M., E-mail: marco.minissale@obspm.fr; Congiu, E.; Dulieu, F. [LERMA-LAMAp, Université de Cergy-Pontoise, Observatoire de Paris, ENS, UPMC, UMR 8112 du CNRS, 5 Mail Gay Lussac, 95000 Cergy Pontoise Cedex (France)] [LERMA-LAMAp, Université de Cergy-Pontoise, Observatoire de Paris, ENS, UPMC, UMR 8112 du CNRS, 5 Mail Gay Lussac, 95000 Cergy Pontoise Cedex (France)
2014-02-21T23:59:59.000Z
The mobility of O atoms at very low temperatures is not generally taken into account, despite O diffusion would add to a series of processes leading to the observed rich molecular diversity in space. We present a study of the mobility and reactivity of O atoms on an amorphous silicate surface. Our results are in the form of reflection absorption infrared spectroscopy and temperature-programmed desorption spectra of O{sub 2} and O{sub 3} produced via two pathways: O + O and O{sub 2} + O, investigated in a submonolayer regime and in the range of temperature between 6.5 and 30 K. All the experiments show that ozone is formed efficiently on silicate at any surface temperature between 6.5 and 30 K. The derived upper limit for the activation barriers of O + O and O{sub 2} + O reactions is ?150 K/k{sub b}. Ozone formation at low temperatures indicates that fast diffusion of O atoms is at play even at 6.5 K. Through a series of rate equations included in our model, we also address the reaction mechanisms and show that neither the Eley–Rideal nor the hot atom mechanisms alone can explain the experimental values. The rate of diffusion of O atoms, based on modeling results, is much higher than the one generally expected, and the diffusive process proceeds via the Langmuir-Hinshelwood mechanism enhanced by tunnelling. In fact, quantum effects turn out to be a key factor that cannot be neglected in our simulations. Astrophysically, efficient O{sub 3} formation on interstellar dust grains would imply the presence of huge reservoirs of oxygen atoms. Since O{sub 3} is a reservoir of elementary oxygen, and also of OH via its hydrogenation, it could explain the observed concomitance of CO{sub 2} and H{sub 2}O in the ices.
Oxygen diffusion in titanite: Lattice diffusion and fast-path diffusion in single crystals
Watson, E. Bruce
Oxygen diffusion in titanite: Lattice diffusion and fast-path diffusion in single crystals X June 2006 Editor: P. Deines Abstract Oxygen diffusion in natural and synthetic single-crystal titanite was characterized under both dry and water-present conditions. For the dry experiments, pre-polished titanite
Andersohn, Alexander
2013-08-27T23:59:59.000Z
Many mechanicstic models aimed at predicting tissue behavior attempt to connect constitutive factors (such as effects due to collagen or fibrin concentrations) with the overall tissue behavior. Such a link between constitutive and material behaviors...
Derivation of Newton's Law of Gravitation Based on a Fluid Mechanical Singularity Model of Particles
Xiao-Song Wang
2006-10-25T23:59:59.000Z
We speculate that the universe may be filled with a kind of fluid which may be called aether or tao. Thus, Newton's law of gravitation is derived by methods of hydrodynamics based on a sink flow model of particles.
NUMERICAL MODELING FOR THE FORMATION MECHANISM OF 3D TOPOGRAPHY ON MICROBIAL MAT SURFACES
Patel, Harsh Jay
2013-09-27T23:59:59.000Z
though, that nutrient limitation coupled with fluid motion may play a key role as a physical control. Under this model, competitions of nutrients were setup among growing microbial communities, which later evolve into specially arranged, 3D mats. However...
Tiwary, C. S., E-mail: cst.iisc@gmail.com; Chattopadhyay, K. [Department of Materials Engineering, Indian Institute of Science, Bangalore 560012 (India); Chakraborty, S.; Mahapatra, D. R. [Department of Aerospace Engineering, Indian Institute of Science, Bangalore 560012 (India)
2014-05-28T23:59:59.000Z
This paper attempts to gain an understanding of the effect of lamellar length scale on the mechanical properties of two-phase metal-intermetallic eutectic structure. We first develop a molecular dynamics model for the in-situ grown eutectic interface followed by a model of deformation of Al-Al{sub 2}Cu lamellar eutectic. Leveraging the insights obtained from the simulation on the behaviour of dislocations at different length scales of the eutectic, we present and explain the experimental results on Al-Al{sub 2}Cu eutectic with various different lamellar spacing. The physics behind the mechanism is further quantified with help of atomic level energy model for different length scale as well as different strain. An atomic level energy partitioning of the lamellae and the interface regions reveals that the energy of the lamellae core are accumulated more due to dislocations irrespective of the length-scale. Whereas the energy of the interface is accumulated more due to dislocations when the length-scale is smaller, but the trend is reversed when the length-scale is large beyond a critical size of about 80?nm.
Particle-scale CO2 adsorption kinetics modeling considering three reaction mechanisms
Suh, Dong-Myung; Sun, Xin
2013-09-01T23:59:59.000Z
In the presence of water (H2O), dry and wet adsorptions of carbon dioxide (CO2) and physical adsorption of H2O happen concurrently in a sorbent particle. The three reactions depend on each other and have a complicated, but important, effect on CO2 capturing via a solid sorbent. In this study, transport phenomena in the sorbent were modeled, including the tree reactions, and a numerical solving procedure for the model also was explained. The reaction variable distribution in the sorbent and their average values were calculated, and simulation results were compared with experimental data to validate the proposed model. Some differences, caused by thermodynamic parameters, were observed between them. However, the developed model reasonably simulated the adsorption behaviors of a sorbent. The weight gained by each adsorbed species, CO2 and H2O, is difficult to determine experimentally. It is known that more CO2 can be captured in the presence of water. Still, it is not yet known quantitatively how much more CO2 the sorbent can capture, nor is it known how much dry and wet adsorptions separately account for CO2 capture. This study addresses those questions by modeling CO2 adsorption in a particle and simulating the adsorption process using the model. As adsorption temperature changed into several values, the adsorbed amount of each species was calculated. The captured CO2 in the sorbent particle was compared quantitatively between dry and wet conditions. As the adsorption temperature decreased, wet adsorption increased. However, dry adsorption was reduced.
Harris, D.O.; Lim, E.Y.; Dedhia, D.D.; Woo, H.H.; Chou, C.K.
1982-06-01T23:59:59.000Z
The efforts concentrated on modifications of the stratified Monte Carlo code called PRAISE (Piping Reliability Analysis Including Seismic Events) to make it more widely applicable to probabilistic fracture mechanics analysis of nuclear reactor piping. Pipe failures are considered to occur as the result of crack-like defects introduced during fabrication, that escape detection during inspections. The code modifications allow the following factors in addition to those considered in earlier work to be treated: other materials, failure criteria and subcritical crack growth characteristic; welding residual and vibratory stresses; and longitudinal welds (the original version considered only circumferential welds). The fracture mechanics background for the code modifications is included, and details of the modifications themselves provided. Additionally, an updated version of the PRAISE user's manual is included. The revised code, known as PRAISE-B was then applied to a variety of piping problems, including various size lines subject to stress corrosion cracking and vibratory stresses. Analyses including residual stresses and longitudinal welds were also performed.
Central engines of Gamma Ray Bursts. Magnetic mechanism in the collapsar model
Maxim V. Barkov; Serguei S. Komissarov
2008-09-08T23:59:59.000Z
In this study we explore the magnetic mechanism of hypernovae and relativistic jets of long duration gamma ray bursts within the collapsar scenario. This is an extension of our earlier work [1]. We track the collapse of massive rotating stars onto a rotating central black hole using axisymmetric general relativistic magnetohydrodynamic code that utilizes a realistic equation of state and takes into account the cooling associated with emission of neutrinos and the energy losses due to dissociation of nuclei. The neutrino heating is not included. We describe solutions with different black hole rotation, mass accretion rate, and strength of progenitor's magnetic field. Some of them exhibits strong explosions driven by Poynting-dominated jets with power up to $12\\times10^{51} {erg s}^{-1}$. These jets originate from the black hole and powered via the Blandford-Znajek mechanism. A provisional criterion for explosion is derived. A number of simulation movies can be downloaded from http://www.maths.leeds.ac.uk/~serguei/research/movies/anim.html
Dalan, Fabio.
Part I: The diapycnal diffusivity in the ocean is one of the least known parameters in current climate models. Measurements of this diffusivity are sparse and insufficient for compiling a global map. Inferences from inverse ...
Physical process Mechanical mechanisms
Berlin,Technische UniversitÃ¤t
1 Physical process Generation Â· Mechanical mechanisms F = mÂ·a Â· Electric/Magnetic mechanisms F Â Quadrupoles......shear stress fluctuations Â High order poles...... phys. interpretation difficult Governing
Skinner, F. K. [Toronto Western Research Institute, University Health Network, Krembil Discovery Tower, Toronto Western Hospital, 60 Leonard Street, 7th floor, 7KD411, Toronto, Ontario M5T 2S8 (Canada) [Toronto Western Research Institute, University Health Network, Krembil Discovery Tower, Toronto Western Hospital, 60 Leonard Street, 7th floor, 7KD411, Toronto, Ontario M5T 2S8 (Canada); Department of Medicine (Neurology), University of Toronto, 200 Elizabeth Street, Toronto, Ontario M5G 2C4 (Canada); Department of Physiology, University of Toronto Medical Sciences Building, 3rd Floor, 1 King's College Circle, Toronto, Ontario M5S 1A8 (Canada); Ferguson, K. A. [Toronto Western Research Institute, University Health Network, Krembil Discovery Tower, Toronto Western Hospital, 60 Leonard Street, 7th floor, 7KD411, Toronto, Ontario M5T 2S8 (Canada) [Toronto Western Research Institute, University Health Network, Krembil Discovery Tower, Toronto Western Hospital, 60 Leonard Street, 7th floor, 7KD411, Toronto, Ontario M5T 2S8 (Canada); Department of Physiology, University of Toronto Medical Sciences Building, 3rd Floor, 1 King's College Circle, Toronto, Ontario M5S 1A8 (Canada)
2013-12-15T23:59:59.000Z
There is an undisputed need and requirement for theoretical and computational studies in Neuroscience today. Furthermore, it is clear that oscillatory dynamical output from brain networks is representative of various behavioural states, and it is becoming clear that one could consider these outputs as measures of normal and pathological brain states. Although mathematical modeling of oscillatory dynamics in the context of neurological disease exists, it is a highly challenging endeavour because of the many levels of organization in the nervous system. This challenge is coupled with the increasing knowledge of cellular specificity and network dysfunction that is associated with disease. Recently, whole hippocampus in vitro preparations from control animals have been shown to spontaneously express oscillatory activities. In addition, when using preparations derived from animal models of disease, these activities show particular alterations. These preparations present an opportunity to address challenges involved with using models to gain insight because of easier access to simultaneous cellular and network measurements, and pharmacological modulations. We propose that by developing and using models with direct links to experiment at multiple levels, which at least include cellular and microcircuit, a cycling can be set up and used to help us determine critical mechanisms underlying neurological disease. We illustrate our proposal using our previously developed inhibitory network models in the context of these whole hippocampus preparations and show the importance of having direct links at multiple levels.
Persistent energy flow for a stochastic wave equation model in nonequilibrium statistical mechanics
Lawrence E. Thomas
2012-04-29T23:59:59.000Z
We consider a one-dimensional partial differential equation system modeling heat flow around a ring. The system includes a Klein-Gordon wave equation for a field satisfying spatial periodic boundary conditions, as well as Ornstein-Uhlenbeck stochastic differential equations with finite rank dissipation and stochastic driving terms modeling heat baths. There is an energy flow around the ring. In the case of a linear field with different (fixed) bath temperatures, the energy flow can persist even when the interaction with the baths is turned off. A simple example is given.
Knott, Michael [Department of Chemistry, Cambridge University, Lensfield Road, Cambridge CB2 1EW (United Kingdom)] [Department of Chemistry, Cambridge University, Lensfield Road, Cambridge CB2 1EW (United Kingdom); Best, Robert B., E-mail: robertbe@helix.nih.gov [Department of Chemistry, Cambridge University, Lensfield Road, Cambridge CB2 1EW (United Kingdom); Laboratory of Chemical Physics, National Institute of Diabetes and Digestive and Kidney Diseases, National Institutes of Health, Bethesda, Maryland 20892-0520 (United States)
2014-05-07T23:59:59.000Z
Many proteins undergo a conformational transition upon binding to their cognate binding partner, with intrinsically disordered proteins (IDPs) providing an extreme example in which a folding transition occurs. However, it is often not clear whether this occurs via an “induced fit” or “conformational selection” mechanism, or via some intermediate scenario. In the first case, transient encounters with the binding partner favour transitions to the bound structure before the two proteins dissociate, while in the second the bound structure must be selected from a subset of unbound structures which are in the correct state for binding, because transient encounters of the incorrect conformation with the binding partner are most likely to result in dissociation. A particularly interesting situation involves those intrinsically disordered proteins which can bind to different binding partners in different conformations. We have devised a multi-state coarse-grained simulation model which is able to capture the binding of IDPs in alternate conformations, and by applying it to the binding of nuclear coactivator binding domain (NCBD) to either ACTR or IRF-3 we are able to determine the binding mechanism. By all measures, the binding of NCBD to either binding partner appears to occur via an induced fit mechanism. Nonetheless, we also show how a scenario closer to conformational selection could arise by choosing an alternative non-binding structure for NCBD.
A quantum mechanical model for the relationship between stock price and stock ownership
Liviu-Adrian Cotfas
2012-09-05T23:59:59.000Z
The trade of a fixed stock can be regarded as the basic process that measures its momentary price. The stock price is exactly known only at the time of sale when the stock is between traders, that is, only in the case when the owner is unknown. We show that the stock price can be better described by a function indicating at any moment of time the probabilities for the possible values of price if a transaction takes place. This more general description contains partial information on the stock price, but it also contains partial information on the stock owner. By following the analogy with quantum mechanics, we assume that the time evolution of the function describing the stock price can be described by a Schrodinger type equation.
Physiologically realistic modelling of a mechanism for neural representation of intervals of time
Fukai, Tomoki
-8610, Japan c CREST, Japan Science and Technology (JST), Saitama 332-0012, Japan Abstract A model, Fuji Xerox Co. Ltd., 430 Sakai, Nakai-machi, Ashigarakami-gun, Kanagawa 259-0157, Japan b Department as well as the difference stated above, will lead us to the idea that an interval of time, T
Multi-Configuration Model Tuning for Precision Opto-Mechanical Systems
on a testbed at the MIT Space Systems Lab (SSL) in order to gauge its usefulness. The traditional model tuning will be performed by a colleague in the SSL who will use such methods as trial-and- error parameter updating comments. Thanks to the DOCS team at MIT's SSL, esp
Chen, Reuven
, Denmark c Nordic Laboratory for Luminescence Dating, Department of Earth Science, Aarhus University, RisÃ¸ luminescence Pulsed OSL Thermoluminescence Quartz Luminescence lifetimes Kinetic rate equations Kinetic model temperature is raised, and has been observed in both thermo- luminescence (TL) and optically stimulated
Broader source: Energy.gov [DOE]
Project objectives: Develop a general framework for effective flow of water, steam and heat in in porous and fractured geothermal formations. Develop a computational module for handling coupled effects of pressure, temperature, and induced rock deformations. Develop a reliable model of heat transfer and fluid flow in fractured rocks.
Small-energy series for one-dimensional quantum-mechanical models with non-symmetric potentials
Paolo Amore; Francisco M. Fernández
2014-10-21T23:59:59.000Z
We generalize a recently proposed small-energy expansion for one-dimensional quantum-mechanical models. The original approach was devised to treat symmetric potentials and here we show how to extend it to non-symmetric ones. Present approach is based on matching the logarithmic derivatives for the left and right solutions to the Schr\\"odinger equation at the origin (or any other point chosen conveniently) . As in the original method, each logarithmic derivative can be expanded in a small-energy series by straightforward perturbation theory. We test the new approach on four simple models, one of which is not exactly solvable. The perturbation expansion converges in all the illustrative examples so that one obtains the ground-state energy with an accuracy determined by the number of available perturbation corrections.
Melanin, a promising radioprotector: Mechanisms of actions in a mice model
Kunwar, A., E-mail: amitbio@rediffmail.com [Radiation and Photochemistry Division, Bhabha Atomic Research Centre, Trombay, Mumbai 400085 (India); Adhikary, B. [Radiation and Photochemistry Division, Bhabha Atomic Research Centre, Trombay, Mumbai 400085 (India)] [Radiation and Photochemistry Division, Bhabha Atomic Research Centre, Trombay, Mumbai 400085 (India); Jayakumar, S. [Radiation Biology and Health Sciences Division, Bhabha Atomic Research Centre, Trombay, Mumbai 400085 (India)] [Radiation Biology and Health Sciences Division, Bhabha Atomic Research Centre, Trombay, Mumbai 400085 (India); Barik, A. [Radiation and Photochemistry Division, Bhabha Atomic Research Centre, Trombay, Mumbai 400085 (India)] [Radiation and Photochemistry Division, Bhabha Atomic Research Centre, Trombay, Mumbai 400085 (India); Chattopadhyay, S. [Bio-Organic Division, Bhabha Atomic Research Centre, Trombay, Mumbai 400085 (India)] [Bio-Organic Division, Bhabha Atomic Research Centre, Trombay, Mumbai 400085 (India); Raghukumar, S. [Myko Tech Private Limited, Dona Paula, Goa?403004 (India)] [Myko Tech Private Limited, Dona Paula, Goa?403004 (India); Priyadarsini, K.I., E-mail: kindira@barc.gov.in [Radiation and Photochemistry Division, Bhabha Atomic Research Centre, Trombay, Mumbai 400085 (India)
2012-10-15T23:59:59.000Z
The radioprotective effect of extracellular melanin, a naturally occurring pigment, isolated from the fungus Gliocephalotrichum simplex was examined in BALB/C mice, and the probable mechanism of action was established. At an effective dose of 50 mg/kg body weight, melanin exhibited both prophylactic and mitigative activities, increasing the 30-day survival of mice by 100% and 60%, respectively, after exposure to radiation (7 Gy, whole body irradiation (WBI)). The protective activity of melanin was primarily due to inhibition of radiation-induced hematopoietic damages as evidenced by improvement in spleen parameters such as index, total cellularity, endogenous colony forming units, and maintenance of circulatory white blood cells and platelet counts. Melanin also reversed the radiation-induced decrease in ERK phosphorylation in splenic tissue, which may be the key feature in its radioprotective action. Additionally, our results indicated that the sustained activation of AKT, JNK and P38 proteins in splenic tissue of melanin pre-treated group may also play a secondary role. This was also supported by the fact that melanin could prevent apoptosis in splenic tissue by decreasing BAX/Bcl-XL ratio, and increasing the expressions of the proliferation markers (PCNA and Cyclin D1), compared to the radiation control group. Melanin also reduced the oxidative stress in hepatic tissue and abrogated immune imbalance by reducing the production of pro-inflammatory cytokines (IL6 and TNF?). In conclusion, our results confirmed that fungal melanin is a very effective radioprotector against WBI and the probable mechanisms of radioprotection are due to modulation in pro-survival (ERK) signaling, prevention of oxidative stress and immunomodulation. -- Highlights: ? Melanin showed promising radioprotection under pre and post irradiation condition. ? Melanin protects the hematopoietic system from radiation induced damage. ? Melanin modulates pro-survival pathways, immune system and prevents oxidative stress.
Mathematical analysis for fractional diffusion equations: forward
Boyer, Franck
or dumping WasteGroundwater flow Base rock Underground storage Soil gapsmicro scale about 100m Field: macro-Diffusion equation Result of Field Test (Adams& Gelhar, 1992) t0 t1 t2 t3 t0 Pollution source Model Prediction Univ. #12;· Determination of contamination source t u = u + F We need detailed mathematical researches
Welch, Stephen; Miles, Steward; Kumar, Suresh; Lemaire, Tony; Chan, Alan
A hierarchy of coupling strategies for integrating advanced three-dimensional modelling methodologies for prediction of the thermo-mechanical response of structures in fire has been developed and systematically assessed. ...
A Simple Quantum-Mechanical Model of Spacetime II: Thermodynamics of Spacetime
J. Makela
2009-10-21T23:59:59.000Z
In this second part of our series of two papers, where spacetime is modelled by a graph, where Planck size quantum black holes lie on the vertices, we consider the thermodynamics of spacetime. We formulate an equation which tells in which way an accelerating, spacelike two-surface of spacetime interacts with the thermal radiation flowing through that surface. In the low temperature limit, where most quantum black holes constituting spacetime are assumed to lie in the ground state, our equation implies, among other things, the Hawking and the Unruh effects, as well as Einstein's field equation with a vanishing cosmological constant for general matter fields. We also consider the high temperature limit, where the microscopic black holes are assumed to lie in highly excited states. In this limit our model implies, among other things, that black hole entropy depends logarithmically on its area, instead of being proportional to the area.
Nguyen, Ba Nghiep; Kunc, Vlastimil; Jin, Xiaoshi; Tucker III, Charles L.; Costa, Franco
2013-12-18T23:59:59.000Z
This article illustrates the predictive capabilities for long-fiber thermoplastic (LFT) composites that first simulate the injection molding of LFT structures by Autodesk® Simulation Moldflow® Insight (ASMI) to accurately predict fiber orientation and length distributions in these structures. After validating fiber orientation and length predictions against the experimental data, the predicted results are used by ASMI to compute distributions of elastic properties in the molded structures. In addition, local stress-strain responses and damage accumulation under tensile loading are predicted by an elastic-plastic damage model of EMTA-NLA, a nonlinear analysis tool implemented in ABAQUS® via user-subroutines using an incremental Eshelby-Mori-Tanaka approach. Predicted stress-strain responses up to failure and damage accumulations are compared to the experimental results to validate the model.
Kelkar, Sharad [Los Alamos National Laboratory
2011-01-01T23:59:59.000Z
The connectivity and accessible surface area of flowing fractures, whether natural or man-made, is possibly the single most important factor, after temperature, which determines the feasibility of an Enhanced Geothermal System (EGS). Rock deformation and in-situ stress changes induced by injected fluids can lead to shear failure on preexisting fractures which can generate microseismic events, and also enhance the permeability and accessible surface area of the geothermal formation. Hence, the ability to accurately model the coupled thermal-hydrologic-mechanical (THM) processes in fractured geological formations is critical in effective EGS reservoir development and management strategies. The locations of the microseismic events can serve as indicators of the zones of enhanced permeability, thus providing vital information for verification of the coupled THM models. We will describe a general purpose computational code, FEHM, developed for this purpose, that models coupled THM processes during multiphase fluid flow and transport in fractured porous media. The code incorporates several models of fracture aperture and stress behavior combined with permeability relationships. We provide field scale examples of applications to geothermal systems to demonstrate the utility of the method.
L\\'evy Fluctuations and Tracer Diffusion in Dilute Suspensions of Algae and Bacteria
Zaid, Irwin M; Yeomans, Julia M
2010-01-01T23:59:59.000Z
Swimming microorganisms rely on effective mixing strategies to achieve efficient nutrient influx. Recent experiments, probing the mixing capability of unicellular biflagellates, revealed that passive tracer particles exhibit anomalous non-Gaussian diffusion when immersed in a dilute suspension of self-motile Chlamydomonas reinhardtii algae. Qualitatively, this observation can be explained by the fact that the algae induce a fluid flow that may occasionally accelerate the colloidal tracers to relatively large velocities. A satisfactory quantitative theory of enhanced mixing in dilute active suspensions, however, is lacking at present. In particular, it is unclear how non-Gaussian signatures in the tracers' position distribution are linked to the self-propulsion mechanism of a microorganism. Here, we develop a systematic theoretical description of anomalous tracer diffusion in active suspensions, based on a simplified tracer-swimmer interaction model that captures the typical distance scaling of a microswimmer'...
OXYGEN DIFFUSION IN HYPOSTOICHIOMETRIC URANIUM DIOXIDE
Kim, Kee Chul
2010-01-01T23:59:59.000Z
Research Division OXYGEN DIFFUSION IN HYPOSTOICHIOMETRIC11905 -DISCLAIMER - OXYGEN DIFFUSION IN HYPOSTOICHIOMETRICc o n e e n i g woroxygen self-diffusion coefficient
Class of model problems in three-body quantum mechanics that admit exact solutions
Takibayev, N. Zh., E-mail: teta@nursat.kz [Abay Kazakh National Pedagogical University (Kazakhstan)
2008-03-15T23:59:59.000Z
An approach to solving scattering problems in three-body systems for cases where the mass of one of the particles is extremely small in relation to the masses of the other two particles and where the pair potentials of interaction between the particles involved are separable is developed. Exact analytic solutions to such model problems are found for the scattering of a light particle on two fixed centers and on two interacting heavy particles. It is shown that new resonances and a dynamical resonance enhancement may appear in a three-body system.
Mass fluctuations and diffusion in time-dependent random environments
Giorgio Krstulovic; Rehab Bitane; Jeremie Bec
2012-03-27T23:59:59.000Z
A mass ejection model in a time-dependent random environment with both temporal and spatial correlations is introduced. When the environment has a finite correlation length, individual particle trajectories are found to diffuse at large times with a displacement distribution that approaches a Gaussian. The collective dynamics of diffusing particles reaches a statistically stationary state, which is characterized in terms of a fluctuating mass density field. The probability distribution of density is studied numerically for both smooth and non-smooth scale-invariant random environments. A competition between trapping in the regions where the ejection rate of the environment vanishes and mixing due to its temporal dependence leads to large fluctuations of mass. These mechanisms are found to result in the presence of intermediate power-law tails in the probability distribution of the mass density. For spatially differentiable environments, the exponent of the right tail is shown to be universal and equal to -3/2. However, at small values, it is found to depend on the environment. Finally, spatial scaling properties of the mass distribution are investigated. The distribution of the coarse-grained density is shown to posses some rescaling properties that depend on the scale, the amplitude of the ejection rate, and the H\\"older exponent of the environment.
Multispecies diffusion models: A study of uranyl species diffusion. | EMSL
Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)
AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE:1 First Use of Energy for All Purposes (Fuel and Nonfuel),Feet) Year Jan Feb Mar Apr MayAtmospheric Optical Depth7-1D: VegetationEquipment SurfacesResource ProgramModificationEnzyme-Functionalized Gold Nanorod Labels
HINDERED DIFFUSION OF COAL LIQUIDS
Theodore T. Tsotsis; Muhammad Sahimi; Ian A. Webster
1996-01-01T23:59:59.000Z
It was the purpose of the project described here to carry out careful and detailed investigations of petroleum and coal asphaltene transport through model porous systems under a broad range of temperature conditions. The experimental studies were to be coupled with detailed, in-depth statistical and molecular dynamics models intended to provide a fundamental understanding of the overall transport mechanisms and a more accurate concept of the asphaltene structure. The following discussion describes some of our accomplishments.
Merci, Bart [Department of Flow, Heat and Combustion Mechanics, Ghent University-UGent, B-9000 Ghent (Belgium); Roekaerts, Dirk [Department of Multi-Scale Physics, Delft University of Technology, Delft (Netherlands); Naud, Bertrand [CIEMAT, Madrid (Spain)
2006-02-01T23:59:59.000Z
Numerical simulation results are presented for a turbulent nonpremixed flame with local extinction and reignition. The transported scalar PDF approach is applied to the turbulence-chemistry interaction. The turbulent flow field is obtained with a nonlinear two-equation turbulence model. A C{sub 1} skeletal scheme is used as the chemistry model. The performance of three micromixing models is compared: the interaction by exchange with the mean model (IEM), the modified Curl's coalescence/dispersion model (CD) and the Euclidean minimum spanning tree model (EMST). With the IEM model, global extinction occurs. With the standard value of model constant C{sub f}=2, the CD model yields a lifted flame, unlike the experiments, while with the EMST model the correct flame shape is obtained. However, the conditional variances of the thermochemical quantities are underestimated with the EMST model, due to a lack of local extinction in the simulations. With the CD model, the flame becomes attached when either the value of C{sub f} is increased to 3 or the pilot flame thermal power is increased by a factor of 1.5. With increased value of C{sub f} better results for mixture fraction variance are obtained with both the CD and the EMST model. Lowering the value of C{sub f} leads to better predictions for mean temperature with EMST, but at the cost of stronger overprediction of mixture fraction variance. These trends are explained as a consequence of variance production by macroscopic inhomogeneity and the specific properties of the micromixing models. Local time stepping is applied so that convergence is obtained more quickly. Iteration averaging reduces statistical error so that the limited number of 50 particles per cell is sufficient to obtain accurate results. (author)
Ion implantation profile modeling of nitrocellulose coated substrates
Merhari, L.; Le Huee, C.; Belorgeot, C.; Bahna, Z. (University of Limoges, Laboratoire d'Electronique des Polymeres sous Faisceaux Ioniques, 123, avenue Albert Thomas 87060 Limoges (France))
1991-11-25T23:59:59.000Z
The modification of a standard ion implantation profile is usually achieved by carrying out successive irradiations at variable ion incident energy. Keeping this latter parameter constant, we propose an alternative way which consists in implanting the substrate through a nitrocellulose thin film shrinking during ion irradiation. Making precise use of the self-developing mechanism of nitrocellulose when functioning as an ion beam resist, we describe a simple model predicting the new implantation profile and, in particular, the concentration enhancement obtained at the surface of the substrate. The model whose fundamentals and related mathematical derivations are given, is critically dependent on the diffusion mechanism of the implanted ions in the substrate. Comparison between simulated and preliminary experimental implantation profiles of Cs in polyparaphenylenesulfide is made and does not show a major divergence considering that the only diffusion mechanism taken into account is the thermal diffusion.
Salloum, Maher N.; Shugard, Andrew D.; Kanouff, Michael P.; Gharagozloo, Patricia E.
2013-03-01T23:59:59.000Z
Modeling of reacting flows in porous media has become particularly important with the increased interest in hydrogen solid-storage beds. An advanced type of storage bed has been proposed that utilizes oxidation of uranium hydride to heat and decompose the hydride, releasing the hydrogen. To reduce the cost and time required to develop these systems experimentally, a valid computational model is required that simulates the reaction of uranium hydride and oxygen gas in a hydrogen storage bed using multiphysics finite element modeling. This SAND report discusses the advancements made in FY12 (since our last SAND report SAND2011-6939) to the model developed as a part of an ASC-P&EM project to address the shortcomings of the previous model. The model considers chemical reactions, heat transport, and mass transport within a hydride bed. Previously, the time-varying permeability and porosity were considered uniform. This led to discrepancies between the simulated results and experimental measurements. In this work, the effects of non-uniform changes in permeability and porosity due to phase and thermal expansion are accounted for. These expansions result in mechanical stresses that lead to bed deformation. To describe this, a simplified solid mechanics model for the local variation of permeability and porosity as a function of the local bed deformation is developed. By using this solid mechanics model, the agreement between our reacting bed model and the experimental data is improved. Additionally, more accurate uranium hydride oxidation kinetics parameters are obtained by fitting the experimental results from a pure uranium hydride oxidation measurement to the ones obtained from the coupled transport-solid mechanics model. Finally, the coupled transport-solid mechanics model governing equations and boundary conditions are summarized and recommendations are made for further development of ARIA and other Sandia codes in order for them to sufficiently implement the model.
Oterkus, Selda [Department of Aerospace and Mechanical Engineering, The University of Arizona, Tucson, AZ 85721 (United States); Madenci, Erdogan, E-mail: madenci@email.arizona.edu [Department of Aerospace and Mechanical Engineering, The University of Arizona, Tucson, AZ 85721 (United States); Agwai, Abigail [Intel Corporation, Chandler, AZ 85226 (United States)
2014-05-15T23:59:59.000Z
This study presents the derivation of ordinary state-based peridynamic heat conduction equation based on the Lagrangian formalism. The peridynamic heat conduction parameters are related to those of the classical theory. An explicit time stepping scheme is adopted for numerical solution of various benchmark problems with known solutions. It paves the way for applying the peridynamic theory to other physical fields such as neutronic diffusion and electrical potential distribution.
Electro-diffusion in a plasma with two ion species
Kagan, Grigory; Tang Xianzhu [Theoretical Division Los Alamos National Laboratory Los Alamos, New Mexico 87545 (United States)
2012-08-15T23:59:59.000Z
Electric field is a thermodynamic force that can drive collisional inter-ion-species transport in a multicomponent plasma. In an inertial confinement fusion capsule, such transport causes fuel ion separation even with a target initially prepared to have equal number densities for the two fuel ion species. Unlike the baro-diffusion driven by ion pressure gradient and the thermo-diffusion driven by ion and electron temperature gradients, electro-diffusion has a critical dependence on the charge-to-mass ratio of the ion species. Specifically, it is shown here that electro-diffusion vanishes if the ion species have the same charge-to-mass ratio. An explicit expression for the electro-diffusion ratio is obtained and used to investigate the relative importance of electro- and baro-diffusion mechanisms. In particular, it is found that electro-diffusion reinforces baro-diffusion in the deuterium and tritium mix, but tends to cancel it in the deuterium and helium-3 mix.
Benioff, P.
1980-01-01T23:59:59.000Z
A microscopic quantum mechanical model of computers as represented by Turing machines is constructed. It is shown that for each number N and Turing machine Q there exists a Hamiltonian H/sub N//sup Q/ and a class of appropriate initial states such that, if PSI/sub Q//sup N/(0) is such an initial state, then PSI/sub Q//sup N/(t) = exp(-iH/sub N//sup Q/t) PSI/sub Q//sup N/(0) correctly describes at times t/sub 3/, t/sub 6/,..., t/sub 3N/ model states that correspond to the completion of the first, second,..., Nth computation step of Q. The model parameters can be adjusted so that for an arbitrary time interval ..delta.. around t/sub 3/, t/sub 6/,..., t/sub 3N/, the machine part of PSI/sub Q//sup N/(t) is stationary. 1 figure.
Archer-Nicholls, Scott; Lowe, Douglas; Utembe, Steve; Allan, James D.; Zaveri, Rahul A.; Fast, Jerome D.; Hodnebrog, Oivind; Denier van der Gon, Hugo; McFiggans, Gordon
2014-11-08T23:59:59.000Z
We have made a number of developments in the regional coupled model WRF-Chem, with the aim of making the model more suitable for prediction of atmospheric composition and of interactions between air quality and weather. We have worked on the European domain, with a particular focus on making the model suitable for the study of night time chemistry and oxidation by the nitrate radical in the UK atmosphere. A reduced form of the Common Reactive Intermediates gas-phase chemical mechanism (CRIv2-R5) has been implemented to enable more explicit simulation of VOC degradation. N2O5 heterogeneous chemistry has been added to the existing sectional MOSAIC aerosol module, and coupled to both the CRIv2-R5 and existing CBM-Z gas phase scheme. Modifications have also been made to the sea-spray aerosol emission representation, allowing the inclusion of primary organic material in sea-spray aerosol. Driven by appropriate emissions, wind fields and chemical boundary conditions, implementation of the different developments is illustrated in order to demonstrate the impact that these changes have in the North-West European domain. These developments are now part of the freely available WRF-Chem distribution.
Zhai, Yuhu
2013-07-16T23:59:59.000Z
The United States ITER Project Office (USIPO) is responsible for design of the Toroidal Field (TF) insert coil, which will allow validation of the performance of significant lengths of the conductors to be used in the full scale TF coils in relevant conditions of field, current density and mechanical strain. The Japan Atomic Energy Agency (JAEA) will build the TF insert which will be tested at the Central Solenoid Model Coil (CSMC) Test facility at JAEA, Naka, Japan. Three dimensional mathematical model of TF Insert was created based on the initial design geometry data, and included the following features: orthotropic material properties of superconductor material and insulation; external magnetic field from CSMC, temperature dependent properties of the materials; pre-compression and plastic deformation in lap joint. Major geometrical characteristics of the design were preserved including cable jacket and insulation shape, mandrel outline, and support clamps and spacers. The model is capable of performing coupled structural, thermal, and electromagnetic analysis using ANSYS. Numerical simulations were performed for room temperature conditions; cool down to 4K, and the operating regime with 68kA current at 11.8 Tesla background field. Numerical simulations led to the final design of the coil producing the required strain levels on the cable, while simultaneously satisfying the ITER magnet structural design criteria.
Robert Podgorney; Chuan Lu; Hai Huang
2012-01-01T23:59:59.000Z
Development of enhanced geothermal systems (EGS) will require creation of a reservoir of sufficient volume to enable commercial-scale heat transfer from the reservoir rocks to the working fluid. A key assumption associated with reservoir creation/stimulation is that sufficient rock volumes can be hydraulically fractured via both tensile and shear failure, and more importantly by reactivation of naturally existing fractures (by shearing), to create the reservoir. The advancement of EGS greatly depends on our understanding of the dynamics of the intimately coupled rock-fracture-fluid-heat system and our ability to reliably predict how reservoirs behave under stimulation and production. Reliable performance predictions of EGS reservoirs require accurate and robust modeling for strongly coupled thermal-hydrological-mechanical (THM) processes. Conventionally, these types of problems have been solved using operator-splitting methods, usually by coupling a subsurface flow and heat transport simulators with a solid mechanics simulator via input files. An alternative approach is to solve the system of nonlinear partial differential equations that govern multiphase fluid flow, heat transport, and rock mechanics simultaneously, using a fully coupled, fully implicit solution procedure, in which all solution variables (pressure, enthalpy, and rock displacement fields) are solved simultaneously. This paper describes numerical simulations used to investigate the poro- and thermal- elastic effects of working fluid injection and thermal energy extraction on the properties of the fractures and rock matrix of a hypothetical EGS reservoir, using a novel simulation software FALCON (Podgorney et al., 2011), a finite element based simulator solving fully coupled multiphase fluid flow, heat transport, rock deformation, and fracturing using a global implicit approach. Investigations are also conducted on how these poro- and thermal-elastic effects are related to fracture permeability evolution.
Development Status of the PEBBLES Code for Pebble Mechanics: Improved Physical Models and Speed-up
Joshua J. Cogliati; Abderrafi M. Ougouag
2009-12-01T23:59:59.000Z
PEBBLES is a code for simulating the motion of all the pebbles in a pebble bed reactor. Since pebble bed reactors are packed randomly and not precisely placed, the location of the fuel elements in the reactor is not deterministically known. Instead, when determining operating parameters the motion of the pebbles can be simulated and stochastic locations can be found. The PEBBLES code can output information relevant for other simulations of the pebble bed reactors such as the positions of the pebbles in the reactor, packing fraction change in an earthquake, and velocity profiles created by recirculation. The goal for this level three milestone was to speedup the PEBBLES code through implementation on massively parallel computer. Work on this goal has resulted in speeding up both the single processor version and creation of a new parallel version of PEBBLES. Both the single processor version and the parallel running capability of the PEBBLES code have improved since the fiscal year start. The hybrid MPI/OpenMP PEBBLES version was created this year to run on the increasingly common cluster hardware profile that combines nodes with multiple processors that share memory and a cluster of nodes that are networked together. The OpenMP portions use the Open Multi-Processing shared memory parallel processing model to split the task across processors in a single node that shares memory. The Message Passing Interface (MPI) portion uses messages to communicate between different nodes over a network. The following are wall clock speed up for simulating an NGNP-600 sized reactor. The single processor version runs 1.5 times faster compared to the single processor version at the beginning of the fiscal year. This speedup is primarily due to the improved static friction model described in the report. When running on 64 processors, the new MPI/OpenMP hybrid version has a wall clock speed up of 22 times compared to the current single processor version. When using 88 processors, a speed up of 23 times is achieved. This speedup and other improvements of PEBBLES combine to make PEBBLES more capable and more useful for simulation of a pebble bed reactor. This report details the implementation and effects of the speedup work done over the course of the fiscal year.
California at Riverside, University of
A novel mechanism and kinetic model to explain enhanced xylose yields from dilute sulfuric acid stover Dilute sulfuric acid Hydrothermal pretreatment Kinetic model Xylose a b s t r a c t Pretreatment of corn stover in 0.5% sulfuric acid at 160 Â°C for 40 min realized a maximum monomeric plus oligomeric
International diffusion practice : lessons from South Korea's New Village Movement
Kim, Jung Hwa, M.C.P. Massachusetts Institute of Technology
2013-01-01T23:59:59.000Z
This research focuses on how South Korea's development model-namely, the Saemaul Undong, or the New Village Movement-is diffused internationally, in particular, to the developing country of Vietnam. South Korea's successful ...
Diffusion driven object propulsion in density stratified fluids
Lenahan, Conor (Conor P.)
2009-01-01T23:59:59.000Z
An experimental study was conducted in order to verify the appropriateness of a two dimensional model of the flow creating diffusion driven object propulsion in density stratified fluids. Initial flow field experiments ...
Causal Baryon Diffusion and Colored Noise
J. I. Kapusta; C. Young
2014-04-18T23:59:59.000Z
We construct a model of baryon diffusion which has the desired properties of causality and analyticity. The model also has the desired property of colored noise, meaning that the noise correlation function is not a Dirac delta function in space and time; rather, it depends on multiple time and length constants. The model can readily be incorporated in 3+1 dimensional second order viscous hydro-dynamical models of heavy ion collisions, which is particularly important at beam energies where the baryon density is large.
Buyukdagli, Sahin; 10.1016/j.cplett.2009.11.061
2010-01-01T23:59:59.000Z
In this Letter, we investigate the link between thermal denaturation and mechanical unzipping for two models of DNA, namely the Dauxois-Peyrard-Bishop model and a variant thereof we proposed recently. We show that the critical line that separates zipped from unzipped DNA sequences in mechanical unzipping experiments is a power-law in the temperature-force plane. We also prove that for the investigated models the corresponding critical exponent is proportional to the critical exponent alpha, which characterizes the behaviour of the specific heat in the neighbourhood of the critical temperature for thermal denaturation.
Diffusion limited reactions in confined environments
Jeremy D. Schmit; Ercan Kamber; Jané Kondev
2007-11-19T23:59:59.000Z
We study the effect of confinement on diffusion limited bimolecular reactions within a lattice model where a small number of reactants diffuse amongst a much larger number of inert particles. When the number of inert particles is held constant the rate of the reaction is slow for small reaction volumes due to limited mobility from crowding, and for large reaction volumes due to the reduced concentration of the reactants. The reaction rate proceeds fastest at an intermediate confinement corresponding to volume fraction near 1/2 and 1/3 in two and three dimensions, respectively. We generalize the model to off-lattice systems with hydrodynamic coupling and predict that the optimal reaction rate for monodisperse colloidal systems occurs when the volume fraction is ~0.18. Finally, we discuss the application of our model to bimolecular reactions inside cells as well as the dynamics of confined polymers.
Vacancy diffusion in the Cu(001) surface II: Random walk theory
van Saarloos, Wim
Vacancy diffusion in the Cu(001) surface II: Random walk theory E. Somfai a,*,1 , R. van Gastel b Abstract We develop a version of the vacancy mediated tracer diffusion model, which follows the properties for the vacancy, and (iii) the diffusion rate of the vacancy is different, in our case strongly enhanced
Goudreau, G.L.
1993-03-01T23:59:59.000Z
The Computational Mechanics thrust area sponsors research into the underlying solid, structural and fluid mechanics and heat transfer necessary for the development of state-of-the-art general purpose computational software. The scale of computational capability spans office workstations, departmental computer servers, and Cray-class supercomputers. The DYNA, NIKE, and TOPAZ codes have achieved world fame through our broad collaborators program, in addition to their strong support of on-going Lawrence Livermore National Laboratory (LLNL) programs. Several technology transfer initiatives have been based on these established codes, teaming LLNL analysts and researchers with counterparts in industry, extending code capability to specific industrial interests of casting, metalforming, and automobile crash dynamics. The next-generation solid/structural mechanics code, ParaDyn, is targeted toward massively parallel computers, which will extend performance from gigaflop to teraflop power. Our work for FY-92 is described in the following eight articles: (1) Solution Strategies: New Approaches for Strongly Nonlinear Quasistatic Problems Using DYNA3D; (2) Enhanced Enforcement of Mechanical Contact: The Method of Augmented Lagrangians; (3) ParaDyn: New Generation Solid/Structural Mechanics Codes for Massively Parallel Processors; (4) Composite Damage Modeling; (5) HYDRA: A Parallel/Vector Flow Solver for Three-Dimensional, Transient, Incompressible Viscous How; (6) Development and Testing of the TRIM3D Radiation Heat Transfer Code; (7) A Methodology for Calculating the Seismic Response of Critical Structures; and (8) Reinforced Concrete Damage Modeling.
Efficiency limits of diffusive shock acceleration
A. Meli; A. Mastichiadis
2007-08-10T23:59:59.000Z
It is well accepted today that diffusive acceleration in shocks results to the cosmic ray spectrum formation. This is in principle true for non-relativistic shocks, since there is a detailed theory covering a large range of their properties and the resulting power-law spectrum, which is nevertheless not as efficient to reach the very high energies observed in the cosmic ray spectrum. On the other hand, the cosmic ray maximum energy and the resulting spectra from relativistic shocks, are still under investigation and debate concerning their contribution to the features of the cosmic ray spectrum and the measured, or implied, cosmic ray radiation from candidate astrophysical sources. Here, we discuss the efficiency of the first order Fermi (diffusive) acceleration mechanism up to relativistic shock speeds, presenting Monte Carlo simulations.
Bo Jakobsen; Kristine Niss; Claudio Maggi; Niels Boye Olsen; Tage Christensen; Jeppe C. Dyre
2010-05-26T23:59:59.000Z
The phenomenology of the beta relaxation process in the shear-mechanical response of glass-forming liquids is summarized and compared to that of the dielectric beta process. Furthermore, we discuss how to model the observations by means of standard viscoelastic modeling elements. Necessary physical requirements to such a model are outlined, and it is argued that physically relevant models must be additive in the shear compliance of the alpha and beta parts. A model based on these considerations is proposed and fitted to data for Polyisobutylene 680.
Solar activity forecast with a dynamo model
Jie Jiang; Piyali Chatterjee; Arnab Rai Choudhuri
2007-07-16T23:59:59.000Z
Although systematic measurements of the solar polar magnetic field exist only from mid 1970s, other proxies can be used to infer the polar field at earlier times. The observational data indicate a strong correlation between the polar field at a sunspot minimum and the strength of the next cycle, although the strength of the cycle is not correlated well with the polar field produced at its end. This suggests that the Babcock Leighton mechanism of poloidal field generation from decaying sunspots involves randomness, whereas the other aspects of the dynamo process must be reasonably ordered and deterministic. Only if the magnetic diffusivity within the convection zone is assumed to be high, we can explain the correlation between the polar field at a minimum and the next cycle. We give several independent arguments that the diffusivity must be of this order. In a dynamo model with diffusivity like this, the poloidal field generated at the mid latitudes is advected toward the poles by the meridional circulation and simultaneously diffuses towards the tachocline, where the toroidal field for the next cycle is produced. To model actual solar cycles with a dynamo model having such high diffusivity, we have to feed the observational data of the poloidal field at the minimum into the theoretical model. We develop a method of doing this in a systematic way. Our model predicts that cycle 24 will be a very weak cycle. Hemispheric asymmetry of solar activity is also calculated with our model and compared with observational data.
Falsification of dark energy by fluid mechanics
Gibson, Carl H
2012-01-01T23:59:59.000Z
The 2011 Nobel Prize in Physics was awarded for the discovery of accelerating supernovae dimness, suggesting a remarkable change in the expansion rate of the Universe from a decrease since the big bang to an increase, driven by anti-gravity forces of a mysterious dark energy material comprising 70% of the Universe mass-energy. Fluid mechanical considerations falsify both the accelerating expansion and dark energy concepts. Kinematic viscosity is neglected in current standard models of self-gravitational structure formation, which rely on cold dark matter CDM condensations and clusterings that are also falsified by fluid mechanics. Weakly collisional CDM particles do not condense but diffuse away. Photon viscosity predicts superclustervoid fragmentation early in the plasma epoch and protogalaxies at the end. At the plasma-gas transition, the plasma fragments into Earth-mass gas planets in trillion planet clumps (proto-globular-star-cluster PGCs). The hydrogen planets freeze to form the dark matter of galaxies ...
Ian Robertson
2007-04-28T23:59:59.000Z
Development and validation of constitutive models for polycrystalline materials subjected to high strain-rate loading over a range of temperatures are needed to predict the response of engineering materials to in-service type conditions. To account accurately for the complex effects that can occur during extreme and variable loading conditions, requires significant and detailed computational and modeling efforts. These efforts must be integrated fully with precise and targeted experimental measurements that not only verify the predictions of the models, but also provide input about the fundamental processes responsible for the macroscopic response. Achieving this coupling between modeling and experiment is the guiding principle of this program. Specifically, this program seeks to bridge the length scale between discrete dislocation interactions with grain boundaries and continuum models for polycrystalline plasticity. Achieving this goal requires incorporating these complex dislocation-interface interactions into the well-defined behavior of single crystals. Despite the widespread study of metal plasticity, this aspect is not well understood for simple loading conditions, let alone extreme ones. Our experimental approach includes determining the high-strain rate response as a function of strain and temperature with post-mortem characterization of the microstructure, quasi-static testing of pre-deformed material, and direct observation of the dislocation behavior during reloading by using the in situ transmission electron microscope deformation technique. These experiments will provide the basis for development and validation of physically-based constitutive models. One aspect of the program involves the direct observation of specific mechanisms of micro-plasticity, as these indicate the boundary value problem that should be addressed. This focus on the pre-yield region in the quasi-static effort (the elasto-plastic transition) is also a tractable one from an experimental and modeling viewpoint. In addition, our approach will minimize the need to fit model parameters to experimental data to obtain convergence. These are critical steps to reach the primary objective of simulating and modeling material performance under extreme loading conditions. During this project, the following achievements have been obtained: 1. Twins have been observed to act as barriers to dislocation propagation and as sources of and sinks to dislocations. 2. Nucleation of deformation twins in nitrogen strengthened steel is observed to be closely associated with planar slip bands. The appearance of long twins through heavily dislocated microstructures occurs by short twins nucleating at one slip band, propagating through the dislocation-free region, and terminating at the next slip band. This process is repeated throughout the entire grain. 3. A tamped-laser ablation loading technique has been developed to introduce high strain rate, high stress and low strains. 4. Both dislocation slip and twinning are present in high strain-rate deformed zirconium, with the relative contribution of each mode to the deformation depending on the initial texture. 5. In situ IR thermal measurements have been used to show that the majority of plastic work is dissipated as heat even under conditions in which twinning is the dominant deformation mode.
Light diffusing fiber optic chamber
Maitland, Duncan J. (Lafayette, CA)
2002-01-01T23:59:59.000Z
A light diffusion system for transmitting light to a target area. The light is transmitted in a direction from a proximal end to a distal end by an optical fiber. A diffusing chamber is operatively connected to the optical fiber for transmitting the light from the proximal end to the distal end and transmitting said light to said target area. A plug is operatively connected to the diffusing chamber for increasing the light that is transmitted to the target area.
Predictive modelling of boiler fouling
Not Available
1992-01-01T23:59:59.000Z
In this reporting period, efforts were initiated to supplement the comprehensive flow field description obtained from the RNG-Spectral Element Simulations by incorporating, in a general framework, appropriate modules to model particle and condensable species transport to the surface. Specifically, a brief survey of the literature revealed the following possible mechanisms for transporting different ash constituents from the host gas to boiler tubes as deserving prominence in building the overall comprehensive model: (1) Flame-volatilized species, chiefly sulfates, are deposited on cooled boiler tubes via the mechanism of classical vapor diffusion. This mechanism is more efficient than the particulate ash deposition, and as a result there is usually an enrichment of condensable salts, chiefly sulfates, in boiler deposits; (2) Particle diffusion (Brownian motion) may account for deposition of some fine particles below 0. 1 mm in diameter in comparison with the mechanism of vapor diffusion and particle depositions, however, the amount of material transported to the tubes via this route is probably small. (3) Eddy diffusion, thermophoretic and electrophoretic deposition mechanisms are likely to have a marked influence in transporting 0.1 to 5[mu]m particles from the host gas to cooled boiler tubes; (4) Inertial impaction is the dominant mechanism in transporting particles above 5[mu]m in diameter to water and steam tubes in pulverized coal fired boiler, where the typical flue gas velocity is between 10 to 25 m/s. Particles above 10[mu]m usually have kinetic energies in excess of what can be dissipated at impact (in the absence of molten sulfate or viscous slag deposit), resulting in their entrainment in the host gas.
Multicomponent Gas Diffusion in Porous Electrodes
Fu, Yeqing; Dutta, Abhijit; Mohanram, Aravind; Pietras, John D; Bazant, Martin Z
2014-01-01T23:59:59.000Z
Multicomponent gas transport is investigated with unprecedented precision by AC impedance analysis of porous YSZ anode-supported solid oxide fuel cells. A fuel gas mixture of H2-H2O-N2 is fed to the anode, and impedance data are measured across the range of hydrogen partial pressure (10-100%) for open circuit conditions at three temperatures (800C, 850C and 900C) and for 300mA applied current at 800C. For the first time, analytical formulae for the diffusion resistance (Rb) of three standard models of multicomponent gas transport (Fick, Stefan-Maxwell, and Dusty Gas) are derived and tested against the impedance data. The tortuosity is the only fitting parameter since all the diffusion coefficients are known. Only the Dusty Gas model leads to a remarkable data collapse for over twenty experimental conditions, using a constant tortuosity consistent with permeability measurements and the Bruggeman relation. These results establish the accuracy of the Dusty Gas model for multicomponent gas diffusion in porous med...
RATH,JONATHAN S.; PFEIFLE,T.W.; HUNSCHE,U.
2000-11-27T23:59:59.000Z
A numerical model for predicting damage and permeability in the disturbed rock zone (DRZ) has been developed. The semi-empirical model predicts damage based on a function of stress tensor invariant. For a wide class of problems hydrologic/mechanical coupling is necessary for proper analysis. The RATDAMPER model incorporates dilatant volumetric strain and permeability. The RATDAMPER model has been implemented in a weakly coupled code, which combines a finite element structural code and a finite difference multi-phase fluid flow code. Using the development of inelastic volumetric strain, a value of permeability can be assigned. This flexibility allows empirical permeability functional relationships to be evaluated.
Sahay, Sundeep
SME-Entrepreneurship Global Conference 2006 - Refereed Paper Bakke et al.: ICT diffusion and usage factors, infrastructures and post-adoption behaviour Paper for the conference: "SME Entrepreneurship. Keywords: Diffusion models, infrastructure, domestication, small and medium sized enterprises, SME, ICT
Nakatsuji, Hiroshi; Hu, Zhenming
2000-03-05T23:59:59.000Z
The mechanism of methanol synthesis from CO{sub 2} and H{sub 2} on Cu(100) and Zn/Cu(100) surfaces was studied using the dipped adcluster model (DAM) combined with ab initio Hartree-Fock (HF) and second-order Moeller-Plesset (MP2) calculations. On clean Cu(100) surface, calculations show that five successive hydrogenations are involved in the hydrogenation of adsorbed CO{sub 2} to methanol, and the intermediates are formate, dioxomethylene, formaldehyde, and methoxy. The rate-limiting step is the hydrogenation of formate to formaldehyde, and the Cu-Cu site is responsible for the reaction on Cu(100). The roles of Zn on Zn/Cu(100) catalyst are to modify the rate-limiting step of the reaction: to lower the activation energies of this step and to stabilize the dioxomethylene intermediate at the Cu-Zn site. The present comparative results indicate that the Cu-Zn site is the active site, which cooperates with the Cu-Cu site to catalyze methanol synthesis on a Cu-based catalyst. Electron transfer from surface to adsorbates is the most important factor in affecting the reactivity of these surface catalysts.
Anna Ijjas; Jean-Luc Lehners; Paul J. Steinhardt
2014-06-06T23:59:59.000Z
We explore a new type of entropic mechanism for generating density perturbations in a contracting phase in which there are two scalar fields, but only one has a steep negative potential. This first field dominates the energy density and is the source of the ekpyrotic equation of state. The second field has a negligible potential, but its kinetic energy density is coupled to the first field with a non-linear sigma-model type interaction. We show that for any ekpyrotic equation of state it is possible to choose the potential and the kinetic coupling such that exactly scale-invariant (or nearly scale-invariant) entropy perturbations are produced. The corresponding background solutions are stable, and the bispectrum of the entropy perturbations vanishes as no non-Gaussianity is produced during the ekpyrotic phase. Hence, the only contribution to non-Gaussianity comes from the non-linearity of the conversion process during which entropic perturbations are turned into adiabatic ones, resulting in a local non-Gaussianity parameter $f_{NL} \\sim 5$.
Boerner, A. J. [IEAVP, ORISE, Oak Ridge, TN (United States); Maldonado, D. G. [IEAVP, ORISE, Oak Ridge, TN (United States; Hansen, Tom [Ameriphysics, LLC (United States)
2012-06-01T23:59:59.000Z
This report contains the technical basis in support of the DOE?s derivation of Authorized Limits (ALs) for the DOE Paducah C-746-U Landfill. A complete description of the methodology, including an assessment of the input parameters, model inputs, and results is provided in this report. This report also provides initial recommendations on applying the derived soil guidelines. The ORISE-derived soil guidelines are specifically applicable to the Landfill at the end of its operational life. A suggested 'upper bound' multiple of the derived soil guidelines for individual shipments is provided.
Lerebours, C; Scheiner, S; Pivonka, P
2015-01-01T23:59:59.000Z
We propose a multiscale mechanobiological model of bone remodelling to investigate the site-specific evolution of bone volume fraction across the midshaft of a femur. The model includes hormonal regulation and biochemical coupling of bone cell populations, the influence of the microstructure on bone turnover rate, and mechanical adaptation of the tissue. Both microscopic and tissue-scale stress/strain states of the tissue are calculated from macroscopic loads by a combination of beam theory and micromechanical homogenisation. This model is applied to simulate the spatio-temporal evolution of a human midshaft femur scan subjected to two deregulating circumstances: (i) osteoporosis and (ii) mechanical disuse. Both simulated deregulations led to endocortical bone loss, cortical wall thinning and expansion of the medullary cavity, in accordance with experimental findings. Our model suggests that these observations are attributable to a large extent to the influence of the microstructure on bone turnover rate. Mec...
Effect of elasticity of wall on diffusion in nano channel
Tankeshwar, K., E-mail: tankesh@pu.ac.in [Computer Centre, Panjab University Chandigarh,- 160014 (India); Srivastava, Sunita [Department of Physics, Panjab University, Chandigarh 160014 (India)
2014-04-24T23:59:59.000Z
Confining walls of nano channel are taken to be elastic to study their effect on the diffusion coefficient of fluid flowing through the channel. The wall is elastic to the extent that it responses to molecular pressure exerted by fluid. The model to study diffusion is based on microscopic considerations. Results obtained for fluid confining to 20 atomic diameter width contrasted with results obtained by considering rigid and smooth wall. The effect of roughness of wall on diffusion can be compensated by the elastic property of wall.
Anomalous diffusion modifies solar neutrino fluxes
G. Kaniadakis; A. Lavagno; M. Lissia; P. Quarati
1997-10-16T23:59:59.000Z
Density and temperature conditions in the solar core suggest that the microscopic diffusion of electrons and ions could be nonstandard: Diffusion and friction coefficients are energy dependent, collisions are not two-body processes and retain memory beyond the single scattering event. A direct consequence of nonstandard diffusion is that the equilibrium energy distribution of particles departs from the Maxwellian one (tails goes to zero more slowly or faster than exponentially) modifying the reaction rates. This effect is qualitatively different from temperature and/or composition modification: Small changes in the number of particles in the distribution tails can strongly modify the rates without affecting bulk properties, such as the sound speed or hydrostatic equilibrium, which depend on the mean values from the distribution. This mechanism can considerably increase the range of predictions for the neutrino fluxes allowed by the current experimental values (cross sections and solar properties) and can be used to reduce the discrepancy between these predictions and the solar neutrino experiments.
NONE
1998-09-01T23:59:59.000Z
The title describes the two tasks summarized in this report. The remainder of the report contains information on meetings held or to be held on the subjects. The US National Committee for Rock Mechanics (USNC/RM) provides for US participation in international activities in rock mechanics, principally through adherence to the International Society for Rock Mechanics (ISRM). It also keeps the US rock mechanics community informed about new programs directed toward major areas of national concern in which rock mechanics problems represent critical or limiting factors, such as energy resources, excavation, underground storage and waste disposal, and reactor siting. The committee also guides or produces advisory studies and reports on problem areas in rock mechanics. A new panel under the auspices of the US National Committee for Rock Mechanics has been appointed to conduct a study on Conceptual Models of Fluid Infiltration in Fractured Media. The study has health and environmental applications related to the underground flow of pollutants through fractured rock in and around mines and waste repositories. Support of the study has been received from the US Nuclear Regulatory Commission and the Department of Energy`s Yucca Mountain Project Office. The new study builds on the success of a recent USNC/RM report entitled Rock Fractures and Fluid Flow: Contemporary Understanding and Applications (National Academy Press, 1996, 551 pp.). A summary of the new study is provided.
Cage diffusion in liquid mercury Yaspal S. Badyal
Montfrooij, Wouter
University, Massachusetts 02138, USA Ignatz M. de Schepper Interfaculty Reactor Institute, TU Delft, 2629 JB(q,E). It is believed that cage diffusion plays an important part in the dynamics of real fluids, such as noble gas on the fast short-time decay mechanism of liquid mercury pertinent to cage diffu- sion. Recent neutron
Paris-Sud XI, UniversitÃ© de
modelling of the magneto-mechanical behaviour of dual- phase steels F MBALLA-MBALLA 1,2 , O HUBERT 1. The dual-phase is a steel composed of ferrite and martensite phases. Each phase can be considered of high performance steels as dual phase (DP) steels has been observed. Steel production involves several
MEMBRANE FUNCTION, Part 2. Passive Movement: Diffusion, Osmosis, and Gibbs-Donnan Equilibrium 1
Prestwich, Ken
such as ion gradients or sunlight. I. Passive transport Passive transport is diffusion through a membrane of the membrane. This movement is entirely by the process of diffusion (to be covered below) Â· ions and polar. Mechanisms of Membrane Transport There are two general modes of transport across membranes: passive transport
Portable vapor diffusion coefficient meter
Ho, Clifford K. (Albuquerque, NM)
2007-06-12T23:59:59.000Z
An apparatus for measuring the effective vapor diffusion coefficient of a test vapor diffusing through a sample of porous media contained within a test chamber. A chemical sensor measures the time-varying concentration of vapor that has diffused a known distance through the porous media. A data processor contained within the apparatus compares the measured sensor data with analytical predictions of the response curve based on the transient diffusion equation using Fick's Law, iterating on the choice of an effective vapor diffusion coefficient until the difference between the predicted and measured curves is minimized. Optionally, a purge fluid can forced through the porous media, permitting the apparatus to also measure a gas-phase permeability. The apparatus can be made lightweight, self-powered, and portable for use in the field.
Lei, Huaping; Wang, Caizhuang; Yao, Yongxin; Hupalo, Myron [Ames Laboratory, USDOE, Ames, Iowa 50011 (United States)] [Ames Laboratory, USDOE, Ames, Iowa 50011 (United States); Wang, Yangang [Ames Laboratory, USDOE, Ames, Iowa 50011 (United States) [Ames Laboratory, USDOE, Ames, Iowa 50011 (United States); Supercomputing Center of Computer Network Information Center, CAS, Beijing 100190 (China); McDougall, Dan; Tringides, Michael; Ho, Kaiming [Ames Laboratory, USDOE, Ames, Iowa 50011 (United States) [Ames Laboratory, USDOE, Ames, Iowa 50011 (United States); Department of Physics and Astronomy, Iowa State University, Ames, Iowa 50011 (United States)
2013-12-14T23:59:59.000Z
The adsorption, diffusion, and molecular dissociation of hydrogen on the biaxially strained Mg (0001) surface have been systematically investigated by the first principle calculations based on density functional theory. When the strain changes from the compressive to tensile state, the adsorption energy of H atom linearly increases while its diffusion barrier linearly decreases oppositely. The dissociation barrier of H{sub 2} molecule linearly reduces in the tensile strain region. Through the chemical bonding analysis including the charge density difference, the projected density of states and the Mulliken population, the mechanism of the strain effect on the adsorption of H atom and the dissociation of H{sub 2} molecule has been elucidated by an s-p charge transfer model. With the reduction of the orbital overlap between the surface Mg atoms upon the lattice expansion, the charge transfers from p to s states of Mg atoms, which enhances the hybridization of H s and Mg s orbitals. Therefore, the bonding interaction of H with Mg surface is strengthened and then the atomic diffusion and molecular dissociation barriers of hydrogen decrease accordingly. Our works will be helpful to understand and to estimate the influence of the lattice deformation on the performance of Mg-containing hydrogen storage materials.
Classical phase diffusion in small hysteretic Josephson junctions
Martinis, J.M.; Kautz, R.L. (National Institute of Standards and Technology, Boulder, Colorado 80303 (US))
1989-10-02T23:59:59.000Z
The existence of classical phase diffusion in hysteretic junctions is demonstrated by quantitative agreement between experimental and simulated {ital I}-{ital V} curves. The simulations are based on a circuit that accurately models both the junction and its external shunting impedance at microwave frequencies. We show that the bias current at which the junction switches from the phase diffusion state to the voltage state is sensitive to dissipation at microwave frequencies.
Reaction and diffusion in turbulent combustion
Pope, S.B. [Mechanical and Aerospace Engineering, Ithaca, NY (United States)
1993-12-01T23:59:59.000Z
The motivation for this project is the need to obtain a better quantitative understanding of the technologically-important phenomenon of turbulent combustion. In nearly all applications in which fuel is burned-for example, fossil-fuel power plants, furnaces, gas-turbines and internal-combustion engines-the combustion takes place in a turbulent flow. Designers continually demand more quantitative information about this phenomenon-in the form of turbulent combustion models-so that they can design equipment with increased efficiency and decreased environmental impact. For some time the PI has been developing a class of turbulent combustion models known as PDF methods. These methods have the important virtue that both convection and reaction can be treated without turbulence-modelling assumptions. However, a mixing model is required to account for the effects of molecular diffusion. Currently, the available mixing models are known to have some significant defects. The major motivation of the project is to seek a better understanding of molecular diffusion in turbulent reactive flows, and hence to develop a better mixing model.
Diffuse-Charge Dynamics in Electrochemical Systems
Martin Z. Bazant; Katsuyo Thornton; Armand Ajdari
2004-01-08T23:59:59.000Z
The response of a model micro-electrochemical system to a time-dependent applied voltage is analyzed. The article begins with a fresh historical review including electrochemistry, colloidal science, and microfluidics. The model problem consists of a symmetric binary electrolyte between parallel-plate, blocking electrodes which suddenly apply a voltage. Compact Stern layers on the electrodes are also taken into account. The Nernst-Planck-Poisson equations are first linearized and solved by Laplace transforms for small voltages, and numerical solutions are obtained for large voltages. The ``weakly nonlinear'' limit of thin double layers is then analyzed by matched asymptotic expansions in the small parameter $\\epsilon = \\lambda_D/L$, where $\\lambda_D$ is the screening length and $L$ the electrode separation. At leading order, the system initially behaves like an RC circuit with a response time of $\\lambda_D L / D$ (not $\\lambda_D^2/D$), where $D$ is the ionic diffusivity, but nonlinearity violates this common picture and introduce multiple time scales. The charging process slows down, and neutral-salt adsorption by the diffuse part of the double layer couples to bulk diffusion at the time scale, $L^2/D$. In the ``strongly nonlinear'' regime (controlled by a dimensionless parameter resembling the Dukhin number), this effect produces bulk concentration gradients, and, at very large voltages, transient space charge. The article concludes with an overview of more general situations involving surface conduction, multi-component electrolytes, and Faradaic processes.
Lithium diffusion at Si-C interfaces in Silicon-Graphene composites
Odbadrakh, Khorgolkhuu [ORNL; McNutt, Nichiolas William [University of Tennessee, Knoxville (UTK); Nicholson, Donald M. [Oak Ridge National Laboratory (ORNL); Rios, Orlando [ORNL; Keffer, David J. [University of Tennessee, Knoxville (UTK)
2014-01-01T23:59:59.000Z
Models of intercalated Li and its diffusion in Si-Graphene interfaces are investigated using Density Functional Theory. Results suggest that the presence of interfaces alters the energetics of Li binding and diffusion significantly compared to bare Si or Graphene surfaces. Our results show that cavities along reconstructed Si surface provide diffusion paths for Li. Diffusion barriers calculated along these cavities are significantly lower than penetration barriers to bulk Si. Interaction with Si surface results in graphene defects, creating Li diffusion paths that are confined along the cavities but have still lower barrier than in bulk Si.
Lithium diffusion at Si-C interfaces in silicon-graphene composites
Odbadrakh, Khorgolkhuu [Joint Institute for Computational Sciences, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37830 (United States); McNutt, N. W. [Department of Chemical and Biomolecular Engineering, University of Tennessee, Knoxville, Tennessee 37996 (United States); Nicholson, D. M. [Computational Science and Mathematics Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37830 (United States); Department of Physics, University of North Carolina, Asheville, North Carolina 28804 (United States); Rios, O. [Materials Science and Technology Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37830 (United States); Keffer, D. J. [Department of Materials Science and Engineering, University of Tennessee, Knoxville, Tennessee 37996 (United States)
2014-08-04T23:59:59.000Z
Models of intercalated Li and its diffusion in Si-Graphene interfaces are investigated using density functional theory. Results suggest that the presence of interfaces alters the energetics of Li binding and diffusion significantly compared to bare Si or Graphene surfaces. Our results show that cavities along reconstructed Si surface provide diffusion paths for Li. Diffusion barriers calculated along these cavities are significantly lower than penetration barriers to bulk Si. Interaction with Si surface results in graphene defects, creating Li diffusion paths that are confined along the cavities but have still lower barrier than in bulk Si.
Komornicka, Dorota [Institute of Low Temperature and Structure Research, Polish Academy of Sciences, ul. Okolna 2, 50-420 Wroclaw (Poland); Wolcyrz, Marek, E-mail: m.wolcyrz@int.pan.wroc.pl [Institute of Low Temperature and Structure Research, Polish Academy of Sciences, ul. Okolna 2, 50-420 Wroclaw (Poland); Pietraszko, Adam [Institute of Low Temperature and Structure Research, Polish Academy of Sciences, ul. Okolna 2, 50-420 Wroclaw (Poland)
2012-08-15T23:59:59.000Z
Local structure of dirubidium tetralithium tris(selenate(VI)) dihydrate - Rb{sub 2}Li{sub 4}(SeO{sub 4}){sub 3}{center_dot} 2H{sub 2}O has been determined basing on the modeling of X-ray diffuse scattering. The origin of observed structured diffuse streaks is SeO{sub 4} tetrahedra switching between two alternative positions in two quasi-planar layers existing in each unit cell and formation of domains with specific SeO{sub 4} tetrahedra configuration locally fulfilling condition for C-centering in the 2a Multiplication-Sign 2b Multiplication-Sign c superstructure cell. The local structure solution is characterized by a uniform distribution of rather large domains (ca. thousand of unit cells) in two layers, but also monodomains can be taken into account. Inside a single domain SeO{sub 4} tetrahedra are ordered along ab-diagonal forming two-string ribbons. Inside the ribbons SeO{sub 4} and LiO{sub 4} tetrahedra share the oxygen corners, whereas ribbons are bound to each other by a net of hydrogen bonds and fastened by corner sharing SeO{sub 4} tetrahedra of the neighboring layers. - Graphical abstract: Experimental sections of the reciprocal space showing diffraction effects observed for RLSO. Bragg spots are visible on sections with integer indices (1 kl section - on the left), streaks - on sections with fractional ones (1.5 kl section - on the right). At the center: resulting local structure of the A package modeled as a microdomain: two-string ribbons of ordered oxygen-corners-sharing SeO{sub 4} and LiO{sub 4} terahedra extended along ab-diagonal are seen; ribbons are bound by hydrogen bonds (shown in pink); the multiplied 2a Multiplication-Sign 2b unit cell is shown. Highlights: Black-Right-Pointing-Pointer X-ray diffuse scattering in RLSO was registered and modeled. Black-Right-Pointing-Pointer The origin of diffuse streaks is SeO{sub 4} tetrahedra switching in two structure layers. Black-Right-Pointing-Pointer The local structure is characterized by a uniform distribution of microdomains. Black-Right-Pointing-Pointer Inside a single domain SeO{sub 4} tetrahedra are ordered along ab-diagonal forming ribbons. Black-Right-Pointing-Pointer The ribbons are bound to each other by a net of hydrogen bonds.
Solar mechanics thermal response capabilities.
Dobranich, Dean D.
2009-07-01T23:59:59.000Z
In many applications, the thermal response of structures exposed to solar heat loads is of interest. Solar mechanics governing equations were developed and integrated with the Calore thermal response code via user subroutines to provide this computational simulation capability. Solar heat loads are estimated based on the latitude and day of the year. Vector algebra is used to determine the solar loading on each face of a finite element model based on its orientation relative to the sun as the earth rotates. Atmospheric attenuation is accounted for as the optical path length varies from sunrise to sunset. Both direct and diffuse components of solar flux are calculated. In addition, shadowing of structures by other structures can be accounted for. User subroutines were also developed to provide convective and radiative boundary conditions for the diurnal variations in air temperature and effective sky temperature. These temperature boundary conditions are based on available local weather data and depend on latitude and day of the year, consistent with the solar mechanics formulation. These user subroutines, coupled with the Calore three-dimensional thermal response code, provide a complete package for addressing complex thermal problems involving solar heating. The governing equations are documented in sufficient detail to facilitate implementation into other heat transfer codes. Suggestions for improvements to the approach are offered.
Chung, So Hyun; Yu, Hon; Su, Min-Ying; Cerussi, Albert E.; Tromberg, Bruce J.
2012-01-01T23:59:59.000Z
Molecular imaging of water binding state and diffusion inChung et al. , “In vivo water state measurements in breastby measuring tis- sue water state using diffuse optical
Diffuser for augmenting a wind turbine
Foreman, Kenneth M. (North Bellmore, NY); Gilbert, Barry L. (Westbury, NY)
1984-01-01T23:59:59.000Z
A diffuser for augmenting a wind turbine having means for energizing the boundary layer at several locations along the diffuser walls is improved by the addition of a short collar extending radially outward from the outlet of the diffuser.
Murawski, Matthew Thomas
2012-06-07T23:59:59.000Z
eutrophication. In the first study, artificial channels were used to investigate the response of periphyton to different nutrient delivery mechanisms. In two channels, nutrients were delivered via diffusion to periphyton growth surfaces using modified Matlock...
Diffusion current in a system of coupled Josephson junctions
Shukrinov, Yu. M., E-mail: shukrinv@theor.jinr.ru; Rahmonov, I. R. [Joint Institute for Nuclear Research (Russian Federation)
2012-08-15T23:59:59.000Z
The role of a diffusion current in the phase dynamics of a system of coupled Josephson junctions (JJs) has been analyzed. It is shown that, by studying the temporal dependences of the superconducting, quasi-particle, diffusion, and displacement currents and the dependences of average values of these currents on the total current, it is possible to explain the main features of the current-voltage characteristic (CVC) of the system. The effect of a diffusion current on the character of CVC branching in the vicinity of a critical current and in the region of hysteresis, as well as on the part of CVC branch corresponding to a parametric resonance in the system is demonstrated. A clear interpretation of the differences in the character of CVC branching in a model of capacitively coupled JJs (CCJJ model) and a model of capacitive coupling with diffusion current (CCJJ+DC model) is proposed. It is shown that a decrease in the diffusion current in a JJ leads to the switching of this junction to an oscillating state. The results of model calculations are qualitatively consistent with the experimental data.
Wang, Hai
AMEAerospace & Mechanical Engineering #12;Aerospace and Mechanical Engineers design complex mechanical, thermal, fluidic, acousti- cal, optical, and electronic systems, with char- acteristic sizes space. Aerospace and Mechanical Engineering (AME) students conduct basic and applied research within
Microstructural Evolution and interfacial motion in systems with diffusion barriers
Perry H. Leo
2009-03-05T23:59:59.000Z
This research program was designed to model and simulate phase transformations in systems containing diffusion barriers. The modeling work included mass flow, phase formation, and microstructural evolution in interdiffusing systems. Simulation work was done by developing Cahn-Hilliard and phase field equations governing both the temporal and spatial evolution of the composition and deformation fields and other important phase variables.
Transport-and diffusion-based optical tomography in small domains: a comparative study
Bal, Guillaume
reconstructions based on the radiative transport and diffusion equations in optical tomography for media of small that the propaga- tion of near-infrared light in tissues is best modeled by the radiative transport equation (RTE the transport equation by its diffusion approximation, which models the spa- tial density of photons
Srinivasa Parthasarathy, Atul
2013-04-30T23:59:59.000Z
The mechanical behavior of asphalt binders is nonlinear. The binders exhibit shear thinning/thickening behavior in steady shear tests and non-proportational behavior in other standard viscoelastic tests such as creep-recovery or stress relaxation...
Miller, Kyle M. (Kyle Mark)
2014-01-01T23:59:59.000Z
The overall battery research of the Impact and Crashworthiness Laboratory (ICL) at MIT has been focused on understanding the battery's mechanical properties so that individual battery cells and battery packs can be ...
Hot carrier diffusion in graphene
Ruzicka, Brian Andrew; Wang, Shuai; Werake, Lalani Kumari; Weintrub, Ben; Loh, Kian Ping; Zhao, Hui
2010-11-01T23:59:59.000Z
We report an optical study of charge transport in graphene. Diffusion of hot carriers in epitaxial graphene and reduced graphene oxide samples are studied using an ultrafast pump-probe technique with a high spatial resolution. Spatiotemporal...
Cain, Jeremy P.; Laskin, Alexander; Kholghy, Mohammad Reza; Thomson, Murray; Wang, Hai
2014-10-29T23:59:59.000Z
High-resolution mass spectrometry coupled with nanospray desorption electrospray ionization was used to probe chemical constituents of young soot particles sampled along the centerline of a coflow diffusion flame of a three-component Jet-A1 surrogate. In lower positions where particles are transparent to light extinction (n= 632.8 nm), peri-condensed polycyclic aromatic hydrocarbons (PAHs) are found to be the major components of the particle material. These particles become enriched with aliphatic components as they grow in mass and size. Before carbonization occurs, the constituent species in young soot particles are aliphatic and aromatic compounds 200-600 amu in mass, some of which are oxygenated. Particles dominated by PAHs or mixtures of PAHs and aliphatics can both exhibit liquid-like appearance observed by electron microscopy and be transparent to visible light. The variations in chemical composition observed here indicate that the molecular processes of soot formation in coflow diffusion flames may be more complex than previously thought. For example, the mass growth and enrichment of aliphatic components in an initially, mostly aromatic structure region of the flame that is absent of H atoms or other free radicals indicates that there must exist at least another mechanism of soot mass growth in addition to the hydrogen-abstraction-carbon addition mechanism currently considered in fundamental models of soot formation.
Diffusion of irreversible energy technologies under uncertainty
Cacallo, J.D.; Sutherland, R.J.
1993-09-01T23:59:59.000Z
This paper presents a model of technology diffusion is consistent with characteristics of participants in most energy markets. Whereas the models used most widely for empirical research are based on the assumption that the extended delays in adoption of cost-saving innovations are the result of either lack of knowledge about the new processes or heterogeneity across potential adopters, the model presented in this paper is based on the strategic behavior by firms. The strategic interdependence of the firms` decisions is rooted in spillover effects associated with an inability to exclude others from the learning-by-doing acquired when a firm implements a new technology. The model makes extensive use of recent developments in investment theory as it relates irreversible investments under uncertainty.
Cation self-diffusion in Fe/sub 2/O/sub 3/
Hoshino, K.; Peterson, N.L.
1984-01-01T23:59:59.000Z
Self-diffusion of /sup 59/Fe in single crystals of Fe/sub 2/O/sub 3/ parallel to the c-axis has been measured as a function of temperature (1150 to 1340/sup 0/C) and oxygen partial pressure (2 x 10/sup -3/) less than or equal to Po/sub 2/ less than or equal to 1 atm). The oxygen partial pressure dependence of the diffusivity indicates that cation self-diffusion occurs by an interstitial-type mechanism. The simultaneous diffusion of /sup 52/Fe and /sup 59/Fe has been measured in Fe/sub 2/O/sub 3/ at 1251/sup 0/C and Po/sub 2/ = 1.91 x 10/sup -2/ atm. The small value of the isotope effect (f..delta..K = 0.067 +- 0.016) is consistent with diffusion of Fe ions by an interstitially mechanism.
Devitrite-based Optical Diffusers
Butt, Haider; Knowles, Kevin M.; Montelongo, Yunuen; Amaratunga, Gehan A. J.; Wilkinson, Timothy D.
2014-02-21T23:59:59.000Z
technological use of this devitrification product in soda–lime–silica glasses, in contrast to other inorganic glasses in which controlled devitrification has given rise to the family of materials known as glass-ceramics.5 Here we present data on the inherent... , photovoltaic,9 photolithography,10 and in the health industry for producing diffused therapeutic thermal energy.11 Visual display systems also require diffusers for increasing the field of view; with the emergence of light emitting diodes (LEDs...
Programmable Mechanical Metamaterials
Bastiaan Florijn; Corentin Coulais; Martin van Hecke
2014-07-17T23:59:59.000Z
We create mechanical metamaterials whose response to uniaxial compression can be programmed by lateral confinement, allowing monotonic, non-monotonic and hysteretic behavior. These functionalities arise from a broken rotational symmetry which causes highly nonlinear coupling of deformations along the two primary axes of these metamaterials. We introduce a soft mechanism model which captures the programmable mechanics, and outline a general design strategy for confined mechanical metamaterials. Finally, we show how inhomogeneous confinement can be explored to create multi stability and giant hysteresis.
Diffusion in confinement as a microscopic relaxation mechanism...
Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)
form 27 January 2012 Available online 4 February 2012 a b s t r a c t Using quasielastic neutron scattering, we compare dynamics in single-element liquids, glass-forming selenium...
Liu, H.H.; Li, L.; Zheng, L.; Houseworth, J.E.; Rutqvist, J.
2011-06-20T23:59:59.000Z
Clay/shale has been considered as potential host rock for geological disposal of high-level radioactive waste throughout the world, because of its low permeability, low diffusion coefficient, high retention capacity for radionuclides, and capability to self-seal fractures. For example, Callovo-Oxfordian argillites at the Bure site, France (Fouche et al., 2004), Toarcian argillites at the Tournemire site, France (Patriarche et al., 2004), Opalinus Clay at the Mont Terri site, Switzerland (Meier et al., 2000), and Boom clay at the Mol site, Belgium (Barnichon and Volckaert, 2003) have all been under intensive scientific investigation (at both field and laboratory scales) for understanding a variety of rock properties and their relationships to flow and transport processes associated with geological disposal of radioactive waste. Figure 1-1 presents the distribution of clay/shale formations within the USA.
Distributed Energy Resources Market Diffusion Model
Maribu, Karl Magnus; Firestone, Ryan; Marnay, Chris; Siddiqui, Afzal S.
2006-01-01T23:59:59.000Z
power generation with combined heat and power applications."central stations, combined heat and power (CHP) applicationsgeneration and combined heat and power (CHP) technologies,
Distributed Energy Resources Market Diffusion Model
Maribu, Karl Magnus; Firestone, Ryan; Marnay, Chris; Siddiqui, Afzal S.
2006-01-01T23:59:59.000Z
engines, microturbines, gas turbines, and fuel cells. Byreciprocating engines, gas turbines, and microturbines. Costin the DER-CAM analysis Gas Turbine Capacity (kW) Capital
Distributed Energy Resources Market Diffusion Model
Maribu, Karl Magnus; Firestone, Ryan; Marnay, Chris; Siddiqui, Afzal S.
2006-01-01T23:59:59.000Z
Ernest Orlando Lawrence Berkeley National Laboratory is anErnest Orlando Lawrence Berkeley National Laboratory,Ernest Orlando Lawrence Berkeley National Laboratory,
Karahan, Aydin
2009-01-01T23:59:59.000Z
A robust and reliable code to model the irradiation behavior of metal and oxide fuels in sodium cooled fast reactors is developed. Modeling capability was enhanced by adopting a non-empirical mechanistic approach to the ...
Nonlinear Data Transformation with Diffusion Map
) Others: Laplacian eigenmaps, Hessian eigenmaps, LTSA We apply the diffusion map (Coifman & Lafon 2006
Sandia National Laboratories: Phenomenological Modeling
Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)
(NESL) Brayton Lab SCO2 Brayton Cycle Technology Videos Heat Exchanger Development Diffusion Bonding Characterization Mechanical Testing Deep Borehole Disposal Nuclear...
M. E. Cates
2012-08-20T23:59:59.000Z
Microbiology is the science of microbes, particularly bacteria. Many bacteria are motile: they are capable of self-propulsion. Among these, a significant class execute so-called run-and-tumble motion: they follow a fairly straight path for a certain distance, then abruptly change direction before repeating the process. This dynamics has something in common with Brownian motion (it is diffusive at large scales), and also something in contrast. Specifically, motility parameters such as the run speed and tumble rate depend on the local environment and hence can vary in space. When they do so, even if a steady state is reached, this is not generally invariant under time-reversal: the principle of detailed balance, which restores the microscopic time-reversal symmetry of systems in thermal equilibrium, is mesoscopically absent in motile bacteria. This lack of detailed balance (allowed by the flux of chemical energy that drives motility) creates pitfalls for the unwary modeller. Here I review some statistical mechanical models for bacterial motility, presenting them as a paradigm for exploring diffusion without detailed balance. I also discuss the extent to which statistical physics is useful in understanding real or potential microbiological experiments.
Prediction of Room Air Diffusion for Reduced Diffuser Flow Rates
Gangisetti, Kavita
2011-02-22T23:59:59.000Z
?, IEA Annex 20 project. The simulated results, in terms of maximum velocity, distribution of velocity and temperature in the room are validated against the experimental data. 3.1.1 Study the effect of various parameters on the CFD simulation. A study... and the walls of the room. The window is assumed to have a surface temperature of 30 0C.The diffuser used is a ?HESCO? type diffuser, which was used in the International Energy Agency (IEA) Annex 20 project (1993): ?Room air and contaminant flow, evaluation...
Delmas, Magali A; Montiel, Ivan
2007-01-01T23:59:59.000Z
Uzbekistan Venezuela* Vietnam Yemen, Rep. Zambia # ISO14001 # ISO Chemical *Countries included in Models 4 to 62001. "International diffusion of ISO 14000 certification."
Ehgartner, Brian L.; Sobolik, Steven Ronald; Bean, James E.
2010-07-01T23:59:59.000Z
The U.S. Strategic Petroleum Reserve stores crude oil in 62 solution-mined caverns in salt domes located in Texas and Louisiana. Historically, three-dimensional geomechanical simulations of the behavior of the caverns have been performed using a power law creep model. Using this method, and calibrating the creep coefficient to field data such as cavern closure and surface subsidence, has produced varying degrees of agreement with observed phenomena. However, as new salt dome locations are considered for oil storage facilities, pre-construction geomechanical analyses are required that need site-specific parameters developed from laboratory data obtained from core samples. The multi-mechanism deformation (M-D) model is a rigorous mathematical description of both transient and steady-state creep phenomena. Recent enhancements to the numerical integration algorithm within the model have created a more numerically stable implementation of the M-D model. This report presents computational analyses to compare the results of predictions of the geomechanical behavior at the West Hackberry SPR site using both models. The recently-published results using the power law creep model produced excellent agreement with an extensive set of field data. The M-D model results show similar agreement using parameters developed directly from laboratory data. It is also used to predict the behavior for the construction and operation of oil storage caverns at a new site, to identify potential problems before a final cavern layout is designed.
Application of Perona Malik anisotropic diffusion on digital radiographic image
Halim, Suhaila Abd; Razak, Rohayu Abdul; Ibrahim, Arsmah [Center of Mathematics Studies, Faculty of Computer and Mathematical Sciences, Universiti Teknologi MARA, 40450 Shah Alam, Selangor DE (Malaysia); Manurung, Yupiter HP [Advanced Manufacturing Technology Center, Faculty of Mechanical Engineering, Universiti Teknologi MARA, 40450 Shah Alam, Selangor DE (Malaysia)
2014-07-10T23:59:59.000Z
Perona Malik Anisotropic Diffusion (PMAD) is a very useful and efficient denoising technique if the parameters are properly selected. Overestimating the parameters may cause oversmoothed and underestimating it may leave unfiltered noise. This makes the selection of parameters a crucial process. In this paper the PMAD model is solved using a finite difference scheme The discretized model is evaluated using different diffusion coefficient of exponential and quadratic on defective radiographic images in terms of quality and efficiency. In the application of the PMAD model on image data, a set of defective radiographic images of welding is used as input data. Peak Signal to Noise Ratio (PSNR), Structural Similarity Measure (SSIM) and temporal time are used to evaluate the performance of the model. The implementation of the experiment has been carried out using MATLAB R2009a. In terms of quality, results show that the Quadratic Diffusion Coefficient Function (QDCF) provides better results compared with the Exponential Diffusion Coefficient Function (EDCF). In conclusion, the denoising effect using PMAD model based on finite difference scheme shows able to improve image quality by removing noise in the defective radiographic image.
Ezer, Daphne; Zabet, Nicolae Radu; Adryan, Boris
2014-08-01T23:59:59.000Z
architectures influence the physical mechanisms that ultimately lead to transcription. A first step towards developing a more mechanistic view of CRE organization is to dissect common and simple organizational patterns [1]. One of themost common CRE build- ing... ,25,26].With this new technology, it is possible to experimentally test how different TF binding site organizations influ- ence gene expression. Even with the development of techniques to synthesize DNA more efficiently, it is still very difficult to study how...
Support Operators Method for the Diffusion Equation in Multiple Materials
Winters, Andrew R. [Los Alamos National Laboratory; Shashkov, Mikhail J. [Los Alamos National Laboratory
2012-08-14T23:59:59.000Z
A second-order finite difference scheme for the solution of the diffusion equation on non-uniform meshes is implemented. The method allows the heat conductivity to be discontinuous. The algorithm is formulated on a one dimensional mesh and is derived using the support operators method. A key component of the derivation is that the discrete analog of the flux operator is constructed to be the negative adjoint of the discrete divergence, in an inner product that is a discrete analog of the continuum inner product. The resultant discrete operators in the fully discretized diffusion equation are symmetric and positive definite. The algorithm is generalized to operate on meshes with cells which have mixed material properties. A mechanism to recover intermediate temperature values in mixed cells using a limited linear reconstruction is introduced. The implementation of the algorithm is verified and the linear reconstruction mechanism is compared to previous results for obtaining new material temperatures.
Test Program for High Efficiency Gas Turbine Exhaust Diffuser
Norris, Thomas R.
2009-12-31T23:59:59.000Z
This research relates to improving the efficiency of flow in a turbine exhaust, and thus, that of the turbine and power plant. The Phase I SBIR project demonstrated the technical viability of “strutlets” to control stalls on a model diffuser strut. Strutlets are a novel flow-improving vane concept intended to improve the efficiency of flow in turbine exhausts. Strutlets can help reduce turbine back pressure, and incrementally improve turbine efficiency, increase power, and reduce greenhouse gas emmission. The long-term goal is a 0.5 percent improvement of each item, averaged over the US gas turbine fleet. The strutlets were tested in a physical scale model of a gas turbine exhaust diffuser. The test flow passage is a straight, annular diffuser with three sets of struts. At the end of Phase 1, the ability of strutlets to keep flow attached to struts was demonstrated, but the strutlet drag was too high for a net efficiency advantage. An independently sponsored followup project did develop a highly-modified low-drag strutlet. In combination with other flow improving vanes, complicance to the stated goals was demonstrated for for simple cycle power plants, and to most of the goals for combined cycle power plants using this particular exhaust geometry. Importantly, low frequency diffuser noise was reduced by 5 dB or more, compared to the baseline. Appolicability to other diffuser geometries is yet to be demonstrated.
Diffusivity anomaly in modified Stillinger-Weber liquids
Sengupta, Shiladitya [TIFR Centre for Interdisciplinary Sciences, 21 Brundavan Colony, Narsingi, Hyderabad 500089 (India)] [TIFR Centre for Interdisciplinary Sciences, 21 Brundavan Colony, Narsingi, Hyderabad 500089 (India); Vasisht, Vishwas V. [Theoretical Sciences Unit, Jawaharlal Nehru Centre for Advanced Scientific Research, Jakkur Campus, Bangalore 560064 (India)] [Theoretical Sciences Unit, Jawaharlal Nehru Centre for Advanced Scientific Research, Jakkur Campus, Bangalore 560064 (India); Sastry, Srikanth [TIFR Centre for Interdisciplinary Sciences, 21 Brundavan Colony, Narsingi, Hyderabad 500089 (India) [TIFR Centre for Interdisciplinary Sciences, 21 Brundavan Colony, Narsingi, Hyderabad 500089 (India); Theoretical Sciences Unit, Jawaharlal Nehru Centre for Advanced Scientific Research, Jakkur Campus, Bangalore 560064 (India)
2014-01-28T23:59:59.000Z
By modifying the tetrahedrality (the strength of the three body interactions) in the well-known Stillinger-Weber model for silicon, we study the diffusivity of a series of model liquids as a function of tetrahedrality and temperature at fixed pressure. Previous work has shown that at constant temperature, the diffusivity exhibits a maximum as a function of tetrahedrality, which we refer to as the diffusivity anomaly, in analogy with the well-known anomaly in water upon variation of pressure at constant temperature. We explore to what extent the structural and thermodynamic changes accompanying changes in the interaction potential can help rationalize the diffusivity anomaly, by employing the Rosenfeld relation between diffusivity and the excess entropy (over the ideal gas reference value), and the pair correlation entropy, which provides an approximation to the excess entropy in terms of the pair correlation function. We find that in the modified Stillinger-Weber liquids, the Rosenfeld relation works well above the melting temperatures but exhibits deviations below, with the deviations becoming smaller for smaller tetrahedrality. Further we find that both the excess entropy and the pair correlation entropy at constant temperature go through maxima as a function of the tetrahedrality, thus demonstrating the close relationship between structural, thermodynamic, and dynamical anomalies in the modified Stillinger-Weber liquids.
Brown, D.P.; Biswas, P.; Rubin, S.G. [Univ. of Cincinnati, OH (United States)
1994-12-31T23:59:59.000Z
Aerosols are produced in a large number of industrial processes over a wide range of sizes. Of particular importance is deposition of coal and oil combustion aerosols in turbines. A model coupling the transport and the dynamics of aerosols to flow characteristics in gas turbines is presented. An order of magnitude analysis is carried out based on typical operational conditions for coal and oil combustion (neglecting coagulation) to determine the relative importance of various mechanisms on particle behavior. A scheme is then developed to incorporate a moment model of a log normally distributed aerosol to predict aerosol transport and dynamics in turbine flows. The proposed moment model reflects the contributions from convection, inertia, diffusion and thermophoresis. Aerosol behavior in various laminar 2-D and axisymmetric flows is considered in this study. Results are compared to published work in 1-D and 2-D planar and axisymmetric.
Schlegel, Nicole-Jeanne
2011-01-01T23:59:59.000Z
in running RCM’s over Greenland to produce high-qualityoutlet glaciers. For Greenland, this detail is specificallyCurrently, no coupled Greenland Ice Sheet model experiment
Jain, Antone Kumar
2009-01-01T23:59:59.000Z
We present a discrete element model for simulating, at the grain scale, gas migration in brine-saturated deformable media. We rigorously account for the presence of two fluids in the pore space by incorporating forces on ...
Numerical study on the validity of the diffusion approximation
Virginia Tech
of photons can be accurately modeled by the radiative transport equation (RTE).9,10 Because and the radiative transport as implemented by Monte Carlo simulation in the cases of point and ball sources. Our of the difficulties in handling the RTE directly, the diffusion approximation to the transport equation has been
Filing Holes in Complex Surfaces Using Volumetric Diffusion
Kazhdan, Michael
Method for Building Complex Models From range Images, '96) Applies line of sight constraints based components Complex hole geometry Construction of an arbitrary mesh can result in non-manifold surfaceFiling Holes in Complex Surfaces Using Volumetric Diffusion J. Davis, S. Marschner, M. Garr and M
Self-similar and charged spheres in the diffusion approximation
Barreto, W
1999-01-01T23:59:59.000Z
We study spherical, charged and self--similar distributions of matter in the diffusion approximation. We propose a simple, dynamic but physically meaningful solution. For such a solution we obtain a model in which the distribution becomes static and changes to dust. The collapse is halted with damped mass oscillations about the absolute value of the total charge.
Beta Diffusion Trees Creighton Heaukulani
Edinburgh, University of
Beta Diffusion Trees Creighton Heaukulani CKH28@CAM.AC.UK David A. Knowles DAVIDKNOWLES Stanford University, Department of Computer Science, Stanford, CA, USA Abstract We define the beta structures over clusters of the particles. With the beta diffu- sion tree, however, multiple copies
Interacting FisherWright Diffusions in a Catalytic Medium Andreas Greven
Klenke, Achim
environment (catalytic medium). Here we introduce a model of interacting FisherÂWright diffusions where environment, catalytic medium, longtime behaviour, rescaling. AMS Subject Classification: 60K35, 60J70Interacting FisherÂWright Diffusions in a Catalytic Medium Andreas Greven Mathematisches Institut
HYDRODYNAMIC LIMITS FOR KINETIC EQUATIONS AND THE DIFFUSIVE APPROXIMATION OF RADIATIVE
Tzavaras, Athanasios E.
HYDRODYNAMIC LIMITS FOR KINETIC EQUATIONS AND THE DIFFUSIVE APPROXIMATION OF RADIATIVE TRANSPORT of the radiative transport equation. 1. Introduction We consider a class of kinetic models equipped with a single. A general compactness frame- work is obtained for the diffusive scaling in L1 . The radiative transport
ON THE KARLIN-KIMURA APPROACHES TO THE WRIGHT-FISHER DIFFUSION WITH FLUCTUATING
Boyer, Edmond
ON THE KARLIN-KIMURA APPROACHES TO THE WRIGHT-FISHER DIFFUSION WITH FLUCTUATING SELECTION THIERRY HUILLET Abstract. The goal of this manuscript is a comparative study of two Wright- Fisher-like diffusion in random environment. In other words, we study the effect of disorder on the usual Wright-Fisher model
hal-00181730,version1-24Oct2007 ON WRIGHT-FISHER DIFFUSION AND ITS RELATIVES
Paris-Sud XI, UniversitÃ© de
hal-00181730,version1-24Oct2007 ON WRIGHT-FISHER DIFFUSION AND ITS RELATIVES THIERRY HUILLET. Focus is on the Wright-Fisher diffusion model and its variations, describing the forward evolution backward and forward equations. Most of the manuscript's content focuses on the specific Wright-Fisher (WF
Filtering the Wright-Fisher diffusion. MIREILLE CHALEYAT-MAUREL1
Boyer, Edmond
Filtering the Wright-Fisher diffusion. MIREILLE CHALEYAT-MAUREL1 , VALENTINE GENON-CATALOT2 1-P`eres, 75270 Paris Cedex 06, France. e-mail: genon@math-info.univ-paris5.fr Abstract We consider a Wright, hidden Markov models, prior and posterior distributions. Running title: Wright-Fisher diffusion. #12
Water diffusion and fracture in organosilicate glass film stacks Youbo Lin a
with an analytical model that combines water diffusion with subcritical crack growth. Fracture experi- ments showWater diffusion and fracture in organosilicate glass film stacks Youbo Lin a , Ting Y. Tsui b. OSG is very brittle and it is susceptible to stress-corrosion cracking in water
Non-normality in combustion-acoustic interaction in diffusion flames: a critical revision
Magri, Luca; Sujith, R I; Juniper, Matthew P
2013-01-01T23:59:59.000Z
Perturbations in a non-normal system can grow transiently even if the system is linearly stable. If this transient growth is sufficiently large, it can trigger self-sustained oscillations from small initial disturbances. This has important practical consequences for combustion-acoustic oscillations, which are a continual problem in rocket and aircraft engines. Balasubramanian and Sujith (Journal of Fluid Mechanics, 2008, 594, 29-57) modelled an infinite-rate chemistry diffusion flame in an acoustic duct and found that the transient growth in this system can amplify the initial energy by a factor, $G_{max}$, of order $10^5$ to $10^7$. However, recent investigations by L. Magri & M. P. Juniper have brought to light certain errors in that paper. When the errors are corrected, $G_{max}$ is found to be of order 1 to 10, revealing that non-normality is not as influential as it was thought to be.
Finkelstein, Gleb
Phase Diffusion in Graphene-Based Josephson Junctions I. V. Borzenets, U. C. Coskun, S. J. Jones July 2011; published 21 September 2011) We report on graphene-based Josephson junctions with contacts. We attribute this resistance to the phase diffusion mechanism, which has not been yet identified
Diffusion in a potential landscape with stochastic resetting
Arnab Pal
2014-08-09T23:59:59.000Z
The steady state of a Brownian particle diffusing in an arbitrary potential under the stochastic resetting mechanism has been studied. We show that there are different classes of nonequilibrium steady states depending on the nature of the potential. In the stable potential landscape, the system attains a well defined steady state however existence of the steady state for the unstable landscape is constrained. We have also investigated the transient properties of the propagator towards the steady state under the stochastic resetting mechanism. Finally, we have done numerical simulations to verify our analytical results.
Hammett, Greg
East, Bethlehem, PA 18015, United States a r t i c l e i n f o Article history: Received 20 March 2007 solution as an initial condition. Now, define a function that mimics the critical gradient thermal diffusivity model GLF23: 0021-9991/$ - see front matter Ã? 2008 Elsevier Inc. All rights reserved. doi:10
Anomalous diffusion for inertial particles under gravity in parallel flows
Marco Martins Afonso
2014-07-04T23:59:59.000Z
We investigate the bounds between normal or anomalous effective diffusion for inertial particles transported by parallel flows. The infrared behavior of the fluid kinetic-energy spectrum, i.e. the possible presence of long-range spatio-temporal correlations, is modeled as a power law by means of two parameters, and the problem is studied as a function of these latter. Our results, obtained in the limit of weak relative inertia, extend well-known results for tracers and apply to particles of any mass density, subject to gravity and Brownian diffusion. We consider both steady and time-dependent flows, and cases of both vanishing and finite particle sedimentation.
Verification of the integrity of barriers using gas diffusion
Ward, D.B. [SPECTRA Research Inst., Albuquerque, NM (United States); Williams, C.V. [Sandia National Labs., Albuquerque, NM (United States). Environmental Restoration Technologies Dept.
1997-06-01T23:59:59.000Z
In-situ barrier materials and designs are being developed for containment of high risk contamination as an alternative to immediate removal or remediation. The intent of these designs is to prevent the movement of contaminants in either the liquid or vapor phase by long-term containment, essentially buying time until the contaminant depletes naturally or a remediation can be implemented. The integrity of the resultant soil-binder mixture is typically assessed by a number of destructive laboratory tests (leaching, compressive strength, mechanical stability with respect to wetting and freeze-thaw cycles) which as a group are used to infer the likelihood of favorable long-term performance of the barrier. The need exists for a minimally intrusive yet quantifiable methods for assessment of a barrier`s integrity after emplacement, and monitoring of the barrier`s performance over its lifetime. Here, the authors evaluate non-destructive measurements of inert-gas diffusion (specifically, SF{sub 6}) as an indicator of waste-form integrity. The goals of this project are to show that diffusivity can be measured in core samples of soil jet-grouted with Portland cement, validate the experimental method through measurements on samples, and to calculate aqueous diffusivities from a series of diffusion measurements. This study shows that it is practical to measure SF{sub 6} diffusion rates in the laboratory on samples of grout (Portland cement and soil) typical of what might be used in a barrier. Diffusion of SF{sub 6} through grout (Portland cement and soil) is at least an order of magnitude slower than through air. The use of this tracer should be sensitive to the presence of fractures, voids, or other discontinuities in the grout/soil structure. Field-scale measurements should be practical on time-scales of a few days.
Characterization of U(VI) Sorption-Desorption Processes and Model Upscaling
Bai, Jing; Dong, Wenming; Ball, William P.
2006-10-12T23:59:59.000Z
The objectives of the overall collaborative EMSP effort (with which this project is associated) were to characterize sorption and desorption processes of U(VI) on pristine and contaminated Hanford sediments over a range of sediment facies and materials properties and to relate such characterization both to fundamental molecular-scale understanding and field-scale models of geochemistry and mass transfer. The research was intended to provide new insights on the mechanisms of U(VI) retardation at Hanford, and to allow the development of approaches by which laboratory-developed geochemical models could be upscaled for defensible field-scale predictions of uranium transport in the environment. Within this broader context, objectives of the JHU-based project were to test hypotheses regarding the coupled roles of adsorption and impermeable-zone diffusion in controlling the fate and transport of U(VI) species under conditions of comparatively short-term exposure. In particular, this work tested the following hypotheses: (1) the primary adsorption processes in the Hanford sediment over the pH range of 7 to 10 are surface complexation reactions of aqueous U(VI) hydroxycarbonate and carbonate complexes with amphoteric edge sites on detrital phyllosilicates in the silt/clay size fraction; (2) macroscopic adsorption intensity (at given aqueous conditions) is a function of mineral composition and aquatic chemistry; and (3) equilibrium sorption and desorption to apply in short-term, laboratory-spiked pristine sediments; and (4) interparticle diffusion can be fully understood in terms of a model that couples molecular diffusion of uranium species in the porewater with equilibrium sorption under the relevant aqueous conditions. The primary focus of the work was on developing and applying both models and experiments to test the applicability of "local equilibrium" assumptions in the modeling interpretation of sorption retarded interparticle diffusion, as relevant to processes of U(VI) diffusion in silt/clay layers. Batch isotherm experiments were first used to confirm sorption isotherms under the intended test conditions and diffusion cell experiments were then conducted to explore the diffusion hypotheses. Important new information was obtained about the role of aqueous calcium and solid calcium carbonate in controlling sorption equilibrium with Hanford sediments. The retarded interparticle diffusion model with local sorption equilibrium was shown to very successfully simulate diffusion at high aqueous concentration of U(VI). By contrast, however, diffusion data obtained at low concentration suggested nonequilibrium of sorption even at diffusion time scales. Such nonequilibrium effects at low concentration are likely to be the result of sorption retarded intraparticle diffusion, and strong U(VI) sorption in the low concentration range.
Sandia National Laboratories: Diffusion Bonding Characterization
Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)
bond surface is poor or only the region near this corner Diffusion 7-8-9 Diffusion Welding and Brazing, Welding Handbook, 7th ed., American Welding Society, 1980, p 311-335...
MICROFLUIDIC CONTROL OF STEM CELL DIFFUSIBLE SIGNALING
Voldman, Joel
MICROFLUIDIC CONTROL OF STEM CELL DIFFUSIBLE SIGNALING Katarina Blagovi, Lily Y. Kim, Alison M cell differentiation. KEYWORDS: Embryonic stem cells, microfluidic perfusion, diffusible signaling; they secrete molecules to which they respond. Microfluidics offers a potential solution to this challenge