A quantum-classical simulation of a multi-surface multi-mode ...
Indian Academy of Sciences (India)
Multi surface multi mode quantum dynamics; parallelized quantum classical approach; TDDVR method. 1. ... cal simulation on molecular system is a great cha- llenge for ..... on a multiple core cluster with shared memory using. OpenMP based ...
Energy Technology Data Exchange (ETDEWEB)
Schubert, Alexander, E-mail: schubert@irsamc.ups-tlse.fr; Meier, Christoph [Laboratoire Collisions Agrégats et Réactivité, IRSAMC, UMR CNRS 5589, Université Paul Sabatier, 31062 Toulouse (France); Falvo, Cyril [Institut des Sciences Moléculaires d’Orsay (ISMO), CNRS, Univ. Paris-Sud, Université Paris-Saclay, 91405 Orsay (France)
2016-08-07
We present mixed quantum-classical simulations on relaxation and dephasing of vibrationally excited carbon monoxide within a protein environment. The methodology is based on a vibrational surface hopping approach treating the vibrational states of CO quantum mechanically, while all remaining degrees of freedom are described by means of classical molecular dynamics. The CO vibrational states form the “surfaces” for the classical trajectories of protein and solvent atoms. In return, environmentally induced non-adiabatic couplings between these states cause transitions describing the vibrational relaxation from first principles. The molecular dynamics simulation yields a detailed atomistic picture of the energy relaxation pathways, taking the molecular structure and dynamics of the protein and its solvent fully into account. Using the ultrafast photolysis of CO in the hemoprotein FixL as an example, we study the relaxation of vibrationally excited CO and evaluate the role of each of the FixL residues forming the heme pocket.
International Nuclear Information System (INIS)
Pittner, Jiri; Lischka, Hans; Barbatti, Mario
2009-01-01
The usage of time-derivative non-adiabatic coupling terms and partially coupled time-dependent equations are investigated to accelerate non-adiabatic dynamics simulations at multireference configuration interaction (MRCI) level. The quality of the results and computational costs are compared against non-adiabatic benchmark dynamics calculations using non-adiabatic coupling vectors. In the comparison between the time-derivative couplings and coupling vectors, deviations in the adiabatic population of individual trajectories were observed in regions of rapid variation of the coupling terms. They, however, affected the average adiabatic population to only about 5%. For small multiconfiguration spaces, dynamics with time-derivative couplings are significantly faster than those with coupling vectors. This relation inverts for larger configuration spaces. The use of the partially coupled equations approach speeds up the simulations significantly while keeping the deviations in the population below few percent. Imidazole and the methaniminium cation are used as test examples
International Nuclear Information System (INIS)
Gelman, David; Schwartz, Steven D.
2010-01-01
The recently developed quantum-classical method has been applied to the study of dissipative dynamics in multidimensional systems. The method is designed to treat many-body systems consisting of a low dimensional quantum part coupled to a classical bath. Assuming the approximate zeroth order evolution rule, the corrections to the quantum propagator are defined in terms of the total Hamiltonian and the zeroth order propagator. Then the corrections are taken to the classical limit by introducing the frozen Gaussian approximation for the bath degrees of freedom. The evolution of the primary part is governed by the corrected propagator yielding the exact quantum dynamics. The method has been tested on two model systems coupled to a harmonic bath: (i) an anharmonic (Morse) oscillator and (ii) a double-well potential. The simulations have been performed at zero temperature. The results have been compared to the exact quantum simulations using the surrogate Hamiltonian approach.
International Nuclear Information System (INIS)
Nishiyama, Yoshikazu; Kato, Tsuyoshi; Ohtsuki, Yukiyoshi; Fujimura, Yuichi
2004-01-01
A linearized optimal control method in combination with mixed quantum/classical molecular dynamics simulation is used for numerically investigating the possibility of controlling photodissociation wave packets of I 2 - in water. Optimal pulses are designed using an ensemble of photodissociation samples, aiming at the creation of localized dissociation wave packets. Numerical results clearly show the effectiveness of the control although the control achievement is reduced with an increase in the internuclear distance associated with a target region. We introduce effective optimal pulses that are designed using a statistically averaged effective dissociation potential, and show that they semiquantitatively reproduce the control achievements calculated by using optimal pulses. The control mechanisms are interpreted from the time- and frequency-resolved spectra of the effective optimal pulses
A quantum-classical simulation of the nuclear dynamics in NO 2 and ...
Indian Academy of Sciences (India)
Administrator
We perform the nuclear dynamics simulation to calculate the broad band as well as better resolved (a) ... The CIs significantly affect the molecular dynamics and henceforth ...... cluster with accessible 64 GB RAM and 1.65 GHz clock speed.
International Nuclear Information System (INIS)
Da Silva, Robson; Hoff, Diego A; Rego, Luis G C
2015-01-01
Charge and excitonic-energy transfer phenomena are fundamental for energy conversion in solar cells as well as artificial photosynthesis. Currently, much interest is being paid to light-harvesting and energy transduction processes in supramolecular structures, where nuclear dynamics has a major influence on electronic quantum dynamics. For this reason, the simulation of long range electron transfer in supramolecular structures, under environmental conditions described within an atomistic framework, has been a difficult problem to study. This work describes a coupled quantum mechanics/molecular mechanics method that aims at describing long range charge transfer processes in supramolecular systems, taking into account the atomistic details of large molecular structures, the underlying nuclear motion, and environmental effects. The method is applied to investigate the relevance of electron–nuclei interaction on the mechanisms for photo-induced electron–hole pair separation in dye-sensitized interfaces as well as electronic dynamics in molecular structures. (paper)
Constructing quantum dynamics from mixed quantum-classical descriptions
International Nuclear Information System (INIS)
Barsegov, V.; Rossky, P.J.
2004-01-01
The influence of quantum bath effects on the dynamics of a quantum two-level system linearly coupled to a harmonic bath is studied when the coupling is both diagonal and off-diagonal. It is shown that the pure dephasing kernel and the non-adiabatic quantum transition rate between Born-Oppenheimer states of the subsystem can be decomposed into a contribution from thermally excited bath modes plus a zero point energy contribution. This quantum rate can be modewise factorized exactly into a product of a mixed quantum subsystem-classical bath transition rate and a quantum correction factor. This factor determines dynamics of quantum bath correlations. Quantum bath corrections to both the transition rate and the pure dephasing kernel are shown to be readily evaluated via a mixed quantum-classical simulation. Hence, quantum dynamics can be recovered from a mixed quantum-classical counterpart by incorporating the missing quantum bath corrections. Within a mixed quantum-classical framework, a simple approach for evaluating quantum bath corrections in calculation of the non-adiabatic transition rate is presented
International Nuclear Information System (INIS)
Sakko, Arto; Rossi, Tuomas P; Nieminen, Risto M
2014-01-01
The presence of plasmonic material influences the optical properties of nearby molecules in untrivial ways due to the dynamical plasmon-molecule coupling. We combine quantum and classical calculation schemes to study this phenomenon in a hybrid system that consists of a Na 2 molecule located in the gap between two Au/Ag nanoparticles. The molecule is treated quantum-mechanically with time-dependent density-functional theory, and the nanoparticles with quasistatic classical electrodynamics. The nanoparticle dimer has a plasmon resonance in the visible part of the electromagnetic spectrum, and the Na 2 molecule has an electron-hole excitation in the same energy range. Due to the dynamical interaction of the two subsystems the plasmon and the molecular excitations couple, creating a hybridized molecular-plasmon excited state. This state has unique properties that yield e.g. enhanced photoabsorption compared to the freestanding Na 2 molecule. The computational approach used enables decoupling of the mutual plasmon-molecule interaction, and our analysis verifies that it is not legitimate to neglect the backcoupling effect when describing the dynamical interaction between plasmonic material and nearby molecules. Time-resolved analysis shows nearly instantaneous formation of the coupled state, and provides an intuitive picture of the underlying physics. (paper)
International Nuclear Information System (INIS)
Bankura, Arindam; Chandra, Amalendu
2015-01-01
The dynamics of proton transfer (PT) through hydrogen bonds in a two-dimensional water layer confined between two graphene sheets at room temperature are investigated through ab initio and quantum-classical simulations. The excess proton is found to be mostly solvated as an Eigen cation where the hydronium ion donates three hydrogen bonds to the neighboring water molecules. In the solvation shell of the hydronium ion, the three coordinated water molecules with two donor hydrogen bonds are found to be properly presolvated to accept a proton. Although no hydrogen bond needs to be broken for transfer of a proton to such presolvated water molecules from the hydronium ion, the PT rate is still found to be not as fast as it is for one-dimensional chains. Here, the PT is slowed down as the probability of finding a water with two donor hydrogen bonds in the solvation shell of the hydronium ion is found to be only 25%-30%. The hydroxide ion is found to be solvated mainly as a complex anion where it accepts four H-bonds through its oxygen atom and the hydrogen atom of the hydroxide ion remains free all the time. Here, the presolvation of the hydroxide ion to accept a proton requires that one of its hydrogen bonds is broken and the proton comes from a neighboring water molecule with two acceptor and one donor hydrogen bonds. The coordination number reduction by breaking of a hydrogen bond is a slow process, and also the population of water molecules with two acceptor and one donor hydrogen bonds is only 20%-25% of the total number of water molecules. All these factors together tend to slow down the hydroxide ion migration rate in two-dimensional water layers compared to that in three-dimensional bulk water
Quantum dynamics in open quantum-classical systems.
Kapral, Raymond
2015-02-25
Often quantum systems are not isolated and interactions with their environments must be taken into account. In such open quantum systems these environmental interactions can lead to decoherence and dissipation, which have a marked influence on the properties of the quantum system. In many instances the environment is well-approximated by classical mechanics, so that one is led to consider the dynamics of open quantum-classical systems. Since a full quantum dynamical description of large many-body systems is not currently feasible, mixed quantum-classical methods can provide accurate and computationally tractable ways to follow the dynamics of both the system and its environment. This review focuses on quantum-classical Liouville dynamics, one of several quantum-classical descriptions, and discusses the problems that arise when one attempts to combine quantum and classical mechanics, coherence and decoherence in quantum-classical systems, nonadiabatic dynamics, surface-hopping and mean-field theories and their relation to quantum-classical Liouville dynamics, as well as methods for simulating the dynamics.
Quantum-Classical Hybrid for Information Processing
Zak, Michail
2011-01-01
Based upon quantum-inspired entanglement in quantum-classical hybrids, a simple algorithm for instantaneous transmissions of non-intentional messages (chosen at random) to remote distances is proposed. The idea is to implement instantaneous transmission of conditional information on remote distances via a quantum-classical hybrid that preserves superposition of random solutions, while allowing one to measure its state variables using classical methods. Such a hybrid system reinforces the advantages, and minimizes the limitations, of both quantum and classical characteristics. Consider n observers, and assume that each of them gets a copy of the system and runs it separately. Although they run identical systems, the outcomes of even synchronized runs may be different because the solutions of these systems are random. However, the global constrain must be satisfied. Therefore, if the observer #1 (the sender) made a measurement of the acceleration v(sub 1) at t =T, then the receiver, by measuring the corresponding acceleration v(sub 1) at t =T, may get a wrong value because the accelerations are random, and only their ratios are deterministic. Obviously, the transmission of this knowledge is instantaneous as soon as the measurements have been performed. In addition to that, the distance between the observers is irrelevant because the x-coordinate does not enter the governing equations. However, the Shannon information transmitted is zero. None of the senders can control the outcomes of their measurements because they are random. The senders cannot transmit intentional messages. Nevertheless, based on the transmitted knowledge, they can coordinate their actions based on conditional information. If the observer #1 knows his own measurements, the measurements of the others can be fully determined. It is important to emphasize that the origin of entanglement of all the observers is the joint probability density that couples their actions. There is no centralized source
Hybrid quantum-classical modeling of quantum dot devices
Kantner, Markus; Mittnenzweig, Markus; Koprucki, Thomas
2017-11-01
The design of electrically driven quantum dot devices for quantum optical applications asks for modeling approaches combining classical device physics with quantum mechanics. We connect the well-established fields of semiclassical semiconductor transport theory and the theory of open quantum systems to meet this requirement. By coupling the van Roosbroeck system with a quantum master equation in Lindblad form, we introduce a new hybrid quantum-classical modeling approach, which provides a comprehensive description of quantum dot devices on multiple scales: it enables the calculation of quantum optical figures of merit and the spatially resolved simulation of the current flow in realistic semiconductor device geometries in a unified way. We construct the interface between both theories in such a way, that the resulting hybrid system obeys the fundamental axioms of (non)equilibrium thermodynamics. We show that our approach guarantees the conservation of charge, consistency with the thermodynamic equilibrium and the second law of thermodynamics. The feasibility of the approach is demonstrated by numerical simulations of an electrically driven single-photon source based on a single quantum dot in the stationary and transient operation regime.
Hybrid Quantum-Classical Approach to Quantum Optimal Control.
Li, Jun; Yang, Xiaodong; Peng, Xinhua; Sun, Chang-Pu
2017-04-14
A central challenge in quantum computing is to identify more computational problems for which utilization of quantum resources can offer significant speedup. Here, we propose a hybrid quantum-classical scheme to tackle the quantum optimal control problem. We show that the most computationally demanding part of gradient-based algorithms, namely, computing the fitness function and its gradient for a control input, can be accomplished by the process of evolution and measurement on a quantum simulator. By posing queries to and receiving answers from the quantum simulator, classical computing devices update the control parameters until an optimal control solution is found. To demonstrate the quantum-classical scheme in experiment, we use a seven-qubit nuclear magnetic resonance system, on which we have succeeded in optimizing state preparation without involving classical computation of the large Hilbert space evolution.
Hsieh, Chang-Yu; Kapral, Raymond
2013-01-01
Mixed quantum-classical methods provide powerful algorithms for the simulation of quantum processes in large and complex systems. The forward-backward trajectory solution of the mixed quantum-classical Liouville equation in the mapping basis [J. Chem. Phys. 137, 22A507 (2012)] is one such scheme. It simulates the dynamics via the propagation of forward and backward trajectories of quantum coherent state variables, and the propagation of bath trajectories on a mean-field potential determined j...
Quantum-classical dynamics of scattering processes in adiabatic and diabatic representations
International Nuclear Information System (INIS)
Puzari, Panchanan; Sarkar, Biplab; Adhikari, Satrajit
2004-01-01
We demonstrate the workability of a TDDVR based [J. Chem. Phys. 118, 5302 (2003)], novel quantum-classical approach, for simulating scattering processes on a quasi-Jahn-Teller model [J. Chem. Phys. 105, 9141 (1996)] surface. The formulation introduces a set of DVR grid points defined by the Hermite part of the basis set in each dimension and allows the movement of grid points around the central trajectory. With enough trajectories (grid points), the method converges to the exact quantum formulation whereas with only one grid point, we recover the conventional molecular dynamics approach. The time-dependent Schroedinger equation and classical equations of motion are solved self-consistently and electronic transitions are allowed anywhere in the configuration space among any number of coupled states. Quantum-classical calculations are performed on diabatic surfaces (two and three) to reveal the effects of symmetry on inelastic and reactive state-to-state transition probabilities, along with calculations on an adiabatic surface with ordinary Born-Oppenheimer approximation. Excellent agreement between TDDVR and DVR results is obtained in both the representations
International Nuclear Information System (INIS)
Huberman, T; Tennant, D A; Cowley, R A; Coldea, R; Frost, C D
2008-01-01
We report comprehensive inelastic neutron scattering measurements of the magnetic excitations in the 2D spin-5/2 Heisenberg antiferromagnet Rb 2 MnF 4 as a function of temperature from deep in the Néel ordered phase up to paramagnetic, 0.13 B T/4JS −1 for temperatures up to near the Curie–Weiss temperature, Θ CW . For wavevectors smaller than ξ −1 , relaxational dynamics occurs. The observed renormalization of spin wave energies, and evolution of excitation lineshapes, with increasing temperature are quantitatively compared with finite-temperature spin wave theory and computer simulations for classical spins. Random phase approximation calculations provide a good description of the low temperature renormalization of spin waves. In contrast, lifetime broadening calculated using the first Born approximation shows, at best, modest agreement around the zone boundary at low temperatures. Classical dynamics simulations using an appropriate quantum classical correspondence were found to provide a good description of the intermediate and high temperature regimes over all wavevector and energy scales, and the crossover from quantum to classical dynamics observed around Θ CW /S, where the spin S = 5/2. A characterization of the data over the whole wavevector/energy/temperature parameter space is given. In this, T 2 behaviour is found to dominate the wavevector and temperature dependence of the linewidths over a large parameter range, and no evidence of hydrodynamic behaviour or dynamical scaling behaviour found within the accuracy of the datasets. An efficient and easily implemented classical dynamics methodology is presented that provides a practical method for modelling other semiclassical quantum magnets
Quantum classical correspondence in nonrelativistic electrodynamics
International Nuclear Information System (INIS)
Ritchie, B.; Weatherford, C.A.
1999-01-01
A form of classical electrodynamic field exists which gives exact agreement with the operator field of quantum electrodynamics (QED) for the Lamb shift of a harmonically bound point electron. Here it is pointed out that this form of classical theory, with its physically acceptable interpretation, is the result of an unconventional resolution of a mathematically ambiguous term in classical field theory. Finally, a quantum classical correspondence principle is shown to exist in the sense that the classical field and expectation value of the QED operator field are identical, if retardation is neglected in the latter
Correlation Functions in Open Quantum-Classical Systems
Directory of Open Access Journals (Sweden)
Chang-Yu Hsieh
2013-12-01
Full Text Available Quantum time correlation functions are often the principal objects of interest in experimental investigations of the dynamics of quantum systems. For instance, transport properties, such as diffusion and reaction rate coefficients, can be obtained by integrating these functions. The evaluation of such correlation functions entails sampling from quantum equilibrium density operators and quantum time evolution of operators. For condensed phase and complex systems, where quantum dynamics is difficult to carry out, approximations must often be made to compute these functions. We present a general scheme for the computation of correlation functions, which preserves the full quantum equilibrium structure of the system and approximates the time evolution with quantum-classical Liouville dynamics. Several aspects of the scheme are discussed, including a practical and general approach to sample the quantum equilibrium density, the properties of the quantum-classical Liouville equation in the context of correlation function computations, simulation schemes for the approximate dynamics and their interpretation and connections to other approximate quantum dynamical methods.
Dynamics of quantum-classical differences for chaotic systems
International Nuclear Information System (INIS)
Ballentine, L.E.
2002-01-01
The differences between quantum and classical dynamics can be studied through the moments and correlations of the position and momentum variables in corresponding quantum and classical statistical states. In chaotic states the quantum-classical differences grow exponentially with an exponent that exceeds the classical Lyapunov exponent. It is shown analytically that the quantum-classical differences scale as (ℎ/2π) 2 , and that the exponent for the growth of these differences is independent of (ℎ/2π). The quantum-classical difference exponent is studied for two quartic potential models, and the results are compared with previous work on the Henon-Heiles model
Quantum-classical correspondence in the vicinity of periodic orbits
Kumari, Meenu; Ghose, Shohini
2018-05-01
Quantum-classical correspondence in chaotic systems is a long-standing problem. We describe a method to quantify Bohr's correspondence principle and calculate the size of quantum numbers for which we can expect to observe quantum-classical correspondence near periodic orbits of Floquet systems. Our method shows how the stability of classical periodic orbits affects quantum dynamics. We demonstrate our method by analyzing quantum-classical correspondence in the quantum kicked top (QKT), which exhibits both regular and chaotic behavior. We use our correspondence conditions to identify signatures of classical bifurcations even in a deep quantum regime. Our method can be used to explain the breakdown of quantum-classical correspondence in chaotic systems.
Recent Advances and Perspectives on Nonadiabatic Mixed Quantum-Classical Dynamics.
Crespo-Otero, Rachel; Barbatti, Mario
2018-05-16
Nonadiabatic mixed quantum-classical (NA-MQC) dynamics methods form a class of computational theoretical approaches in quantum chemistry tailored to investigate the time evolution of nonadiabatic phenomena in molecules and supramolecular assemblies. NA-MQC is characterized by a partition of the molecular system into two subsystems: one to be treated quantum mechanically (usually but not restricted to electrons) and another to be dealt with classically (nuclei). The two subsystems are connected through nonadiabatic couplings terms to enforce self-consistency. A local approximation underlies the classical subsystem, implying that direct dynamics can be simulated, without needing precomputed potential energy surfaces. The NA-MQC split allows reducing computational costs, enabling the treatment of realistic molecular systems in diverse fields. Starting from the three most well-established methods-mean-field Ehrenfest, trajectory surface hopping, and multiple spawning-this review focuses on the NA-MQC dynamics methods and programs developed in the last 10 years. It stresses the relations between approaches and their domains of application. The electronic structure methods most commonly used together with NA-MQC dynamics are reviewed as well. The accuracy and precision of NA-MQC simulations are critically discussed, and general guidelines to choose an adequate method for each application are delivered.
Mixed quantum-classical electrodynamics: Understanding spontaneous decay and zero-point energy
Li, Tao E.; Nitzan, Abraham; Sukharev, Maxim; Martinez, Todd; Chen, Hsing-Ta; Subotnik, Joseph E.
2018-03-01
The dynamics of an electronic two-level system coupled to an electromagnetic field are simulated explicitly for one- and three-dimensional systems through semiclassical propagation of the Maxwell-Liouville equations. We consider three flavors of mixed quantum-classical dynamics: (i) the classical path approximation (CPA), (ii) Ehrenfest dynamics, and (iii) symmetrical quasiclassical (SQC) dynamics. Our findings are as follows: (i) The CPA fails to recover a consistent description of spontaneous emission, (ii) a consistent "spontaneous" emission can be obtained from Ehrenfest dynamics, provided that one starts in an electronic superposition state, and (iii) spontaneous emission is always obtained using SQC dynamics. Using the SQC and Ehrenfest frameworks, we further calculate the dynamics following an incoming pulse, but here we find very different responses: SQC and Ehrenfest dynamics deviate sometimes strongly in the calculated rate of decay of the transient excited state. Nevertheless, our work confirms the earlier observations by Miller [J. Chem. Phys. 69, 2188 (1978), 10.1063/1.436793] that Ehrenfest dynamics can effectively describe some aspects of spontaneous emission and highlights interesting possibilities for studying light-matter interactions with semiclassical mechanics.
Quantum-classical correspondence in steady states of nonadiabatic systems
International Nuclear Information System (INIS)
Fujii, Mikiya; Yamashita, Koichi
2015-01-01
We first present nonadiabatic path integral which is exact formulation of quantum dynamics in nonadiabatic systems. Then, by applying the stationary phase approximations to the nonadiabatic path integral, a semiclassical quantization condition, i.e., quantum-classical correspondence, for steady states of nonadiabatic systems is presented as a nonadiabatic trace formula. The present quantum-classical correspondence indicates that a set of primitive hopping periodic orbits, which are invariant under time evolution in the phase space of the slow degree of freedom, should be quantized. The semiclassical quantization is then applied to a simple nonadiabatic model and accurately reproduces exact quantum energy levels
Gauge-fields and integrated quantum-classical theory
International Nuclear Information System (INIS)
Stapp, H.P.
1986-01-01
Physical situations in which quantum systems communicate continuously to their classically described environment are not covered by contemporary quantum theory, which requires a temporary separation of quantum degrees of freedom from classical ones. A generalization would be needed to cover these situations. An incomplete proposal is advanced for combining the quantum and classical degrees of freedom into a unified objective description. It is based on the use of certain quantum-classical structures of light that arise from gauge invariance to coordinate the quantum and classical degrees of freedom. Also discussed is the question of where experimenters should look to find phenomena pertaining to the quantum-classical connection. 17 refs
Quantum-classical hybrid dynamics – a summary
International Nuclear Information System (INIS)
Elze, Hans-Thomas
2013-01-01
A summary of a recently proposed description of quantum-classical hybrids is presented, which concerns quantum and classical degrees of freedom of a composite object that interact directly with each other. This is based on notions of classical Hamiltonian mechanics suitably extended to quantum mechanics.
Emerging Connections: Quantum & Classical Optics Incubator Program Book
Energy Technology Data Exchange (ETDEWEB)
Lesky, Marcia [Optical Society of America, Washington, DC (United States)
2016-11-06
The Emerging Connections: Quantum & Classical Optics Incubator was a scientific meeting held in Washington, DC on 6-8 November 2016. This Incubator provided unique and focused experiences and valuable opportunities to discuss advances, challenges and opportunities regarding this important area of research. Quantum optics and classical optics have coexisted for nearly a century as two distinct, but consistent descriptions of light in their respective domains. Recently, a number of detailed examinations of the structure of classical light beams have revealed that effects widely thought to be solely quantum in origin also have a place in classical optics. These new quantum-classical connections are informing classical optics in meaningful ways specifically by expanding understanding of optical coherence. Simultaneously, relationships discovered with classical light beams now also serve as a vehicle to illuminate concepts that no longer solely belong to the quantum realm. Interference, polarization, coherence, complementarity and entanglement are a partial list of elementary notions that now appear to belong to both quantum and classical optics. The goal of this meeting was to bring emerging quantum-classical links into wider view and to indicate directions in which forthcoming and future work would promote discussion and lead to a more unified understanding of optics.
Dynamics in the quantum/classical limit based on selective use of the quantum potential
International Nuclear Information System (INIS)
Garashchuk, Sophya; Dell’Angelo, David; Rassolov, Vitaly A.
2014-01-01
A classical limit of quantum dynamics can be defined by compensation of the quantum potential in the time-dependent Schrödinger equation. The quantum potential is a non-local quantity, defined in the trajectory-based form of the Schrödinger equation, due to Madelung, de Broglie, and Bohm, which formally generates the quantum-mechanical features in dynamics. Selective inclusion of the quantum potential for the degrees of freedom deemed “quantum,” defines a hybrid quantum/classical dynamics, appropriate for molecular systems comprised of light and heavy nuclei. The wavefunction is associated with all of the nuclei, and the Ehrenfest, or mean-field, averaging of the force acting on the classical degrees of freedom, typical of the mixed quantum/classical methods, is avoided. The hybrid approach is used to examine evolution of light/heavy systems in the harmonic and double-well potentials, using conventional grid-based and approximate quantum-trajectory time propagation. The approximate quantum force is defined on spatial domains, which removes unphysical coupling of the wavefunction fragments corresponding to distinct classical channels or configurations. The quantum potential, associated with the quantum particle, generates forces acting on both quantum and classical particles to describe the backreaction
Dynamics in the quantum/classical limit based on selective use of the quantum potential
Energy Technology Data Exchange (ETDEWEB)
Garashchuk, Sophya, E-mail: garashchuk@sc.edu; Dell’Angelo, David; Rassolov, Vitaly A. [Department of Chemistry and Biochemistry, University of South Carolina, Columbia, South Carolina 29208 (United States)
2014-12-21
A classical limit of quantum dynamics can be defined by compensation of the quantum potential in the time-dependent Schrödinger equation. The quantum potential is a non-local quantity, defined in the trajectory-based form of the Schrödinger equation, due to Madelung, de Broglie, and Bohm, which formally generates the quantum-mechanical features in dynamics. Selective inclusion of the quantum potential for the degrees of freedom deemed “quantum,” defines a hybrid quantum/classical dynamics, appropriate for molecular systems comprised of light and heavy nuclei. The wavefunction is associated with all of the nuclei, and the Ehrenfest, or mean-field, averaging of the force acting on the classical degrees of freedom, typical of the mixed quantum/classical methods, is avoided. The hybrid approach is used to examine evolution of light/heavy systems in the harmonic and double-well potentials, using conventional grid-based and approximate quantum-trajectory time propagation. The approximate quantum force is defined on spatial domains, which removes unphysical coupling of the wavefunction fragments corresponding to distinct classical channels or configurations. The quantum potential, associated with the quantum particle, generates forces acting on both quantum and classical particles to describe the backreaction.
Beyond quantum-classical analogies: high time for agreement?
Marrocco, Michele
Lately, many quantum-classical analogies have been investigated and published in many acknowledged journals. Such a surge of research on conceptual connections between quantum and classical physics forces us to ask whether the correspondence between the quantum and classical interpretation of the reality is deeper than the correspondence principle stated by Bohr. Here, after a short introduction to quantum-classical analogies from the recent literature, we try to examine the question from the perspective of a possible agreement between quantum and classical laws. A paradigmatic example is given in the striking equivalence between the classical Mie theory of electromagnetic scattering from spherical scatterers and the corresponding quantum-mechanical wave scattering analyzed in terms of partial waves. The key features that make the correspondence possible are examined and finally employed to deal with the fundamental blackbody problem that marks the initial separation between classical and quantum physics. The procedure allows us to recover the blackbody spectrum in classical terms and the proof is rich in consequences. Among them, the strong analogy between the quantum vacuum and its classical counterpart.
Hydrogen atom as a quantum-classical hybrid system
International Nuclear Information System (INIS)
Zhan, Fei; Wu, Biao
2013-01-01
Hydrogen atom is studied as a quantum-classical hybrid system, where the proton is treated as a classical object while the electron is regarded as a quantum object. We use a well known mean-field approach to describe this hybrid hydrogen atom; the resulting dynamics for the electron and the proton is compared to their full quantum dynamics. The electron dynamics in the hybrid description is found to be only marginally different from its full quantum counterpart. The situation is very different for the proton: in the hybrid description, the proton behaves like a free particle; in the fully quantum description, the wave packet center of the proton orbits around the center of mass. Furthermore, we find that the failure to describe the proton dynamics properly can be regarded as a manifestation of the fact that there is no conservation of momentum in the mean-field hybrid approach. We expect that such a failure is a common feature for all existing approaches for quantum-classical hybrid systems of Born-Oppenheimer type.
Transient chaos - a resolution of breakdown of quantum-classical correspondence in optomechanics.
Wang, Guanglei; Lai, Ying-Cheng; Grebogi, Celso
2016-10-17
Recently, the phenomenon of quantum-classical correspondence breakdown was uncovered in optomechanics, where in the classical regime the system exhibits chaos but in the corresponding quantum regime the motion is regular - there appears to be no signature of classical chaos whatsoever in the corresponding quantum system, generating a paradox. We find that transient chaos, besides being a physically meaningful phenomenon by itself, provides a resolution. Using the method of quantum state diffusion to simulate the system dynamics subject to continuous homodyne detection, we uncover transient chaos associated with quantum trajectories. The transient behavior is consistent with chaos in the classical limit, while the long term evolution of the quantum system is regular. Transient chaos thus serves as a bridge for the quantum-classical transition (QCT). Strikingly, as the system transitions from the quantum to the classical regime, the average chaotic transient lifetime increases dramatically (faster than the Ehrenfest time characterizing the QCT for isolated quantum systems). We develop a physical theory to explain the scaling law.
Transient chaos - a resolution of breakdown of quantum-classical correspondence in optomechanics
Wang, Guanglei; Lai, Ying-Cheng; Grebogi, Celso
2016-01-01
Recently, the phenomenon of quantum-classical correspondence breakdown was uncovered in optomechanics, where in the classical regime the system exhibits chaos but in the corresponding quantum regime the motion is regular - there appears to be no signature of classical chaos whatsoever in the corresponding quantum system, generating a paradox. We find that transient chaos, besides being a physically meaningful phenomenon by itself, provides a resolution. Using the method of quantum state diffusion to simulate the system dynamics subject to continuous homodyne detection, we uncover transient chaos associated with quantum trajectories. The transient behavior is consistent with chaos in the classical limit, while the long term evolution of the quantum system is regular. Transient chaos thus serves as a bridge for the quantum-classical transition (QCT). Strikingly, as the system transitions from the quantum to the classical regime, the average chaotic transient lifetime increases dramatically (faster than the Ehrenfest time characterizing the QCT for isolated quantum systems). We develop a physical theory to explain the scaling law. PMID:27748418
Photosynthetic Energy Transfer at the Quantum/Classical Border.
Keren, Nir; Paltiel, Yossi
2018-06-01
Quantum mechanics diverges from the classical description of our world when very small scales or very fast processes are involved. Unlike classical mechanics, quantum effects cannot be easily related to our everyday experience and are often counterintuitive to us. Nevertheless, the dimensions and time scales of the photosynthetic energy transfer processes puts them close to the quantum/classical border, bringing them into the range of measurable quantum effects. Here we review recent advances in the field and suggest that photosynthetic processes can take advantage of the sensitivity of quantum effects to the environmental 'noise' as means of tuning exciton energy transfer efficiency. If true, this design principle could be a base for 'nontrivial' coherent wave property nano-devices. Copyright © 2018 Elsevier Ltd. All rights reserved.
Quantum-classical correspondence for the inverted oscillator
Maamache, Mustapha; Ryeol Choi, Jeong
2017-11-01
While quantum-classical correspondence for a system is a very fundamental problem in modern physics, the understanding of its mechanism is often elusive, so the methods used and the results of detailed theoretical analysis have been accompanied by active debate. In this study, the differences and similarities between quantum and classical behavior for an inverted oscillator have been analyzed based on the description of a complete generalized Airy function-type quantum wave solution. The inverted oscillator model plays an important role in several branches of cosmology and particle physics. The quantum wave packet of the system is composed of many sub-packets that are localized at different positions with regular intervals between them. It is shown from illustrations of the probability density that, although the quantum trajectory of the wave propagation is somewhat different from the corresponding classical one, the difference becomes relatively small when the classical excitation is sufficiently high. We have confirmed that a quantum wave packet moving along a positive or negative direction accelerates over time like a classical wave. From these main interpretations and others in the text, we conclude that our theory exquisitely illustrates quantum and classical correspondence for the system, which is a crucial concept in quantum mechanics. Supported by the Basic Science Research Program through the National Research Foundation of Korea (NRF) funded by the Ministry of Education (NRF-2016R1D1A1A09919503)
Cerezo, Javier; Aranda, Daniel; Avila Ferrer, Francisco J; Prampolini, Giacomo; Mazzeo, Giuseppe; Longhi, Giovanna; Abbate, Sergio; Santoro, Fabrizio
2018-06-01
We extend a recently proposed mixed quantum/classical method for computing the vibronic electronic circular dichroism (ECD) spectrum of molecules with different conformers, to cases where more than one hindered rotation is present. The method generalizes the standard procedure, based on the simple Boltzmann average of the vibronic spectra of the stable conformers, and includes the contribution of structures that sample all the accessible conformational space. It is applied to the simulation of the ECD spectrum of (S)-2,2,2-trifluoroanthrylethanol, a molecule with easily interconvertible conformers, whose spectrum exhibits a pattern of alternating positive and negative vibronic peaks. Results are in very good agreement with experiment and show that spectra averaged over all the sampled conformational space can deviate significantly from the simple average of the contributions of the stable conformers. The present mixed quantum/classical method is able to capture the effect of the nonlinear dependence of the rotatory strength on the molecular structure and of the anharmonic couplings among the modes responsible for molecular flexibility. Despite its computational cost, the procedure is still affordable and promises to be useful in all cases where the ECD shape arises from a subtle balance between vibronic effects and conformational variety. © 2018 Wiley Periodicals, Inc.
Analysis of geometric phase effects in the quantum-classical Liouville formalism.
Ryabinkin, Ilya G; Hsieh, Chang-Yu; Kapral, Raymond; Izmaylov, Artur F
2014-02-28
We analyze two approaches to the quantum-classical Liouville (QCL) formalism that differ in the order of two operations: Wigner transformation and projection onto adiabatic electronic states. The analysis is carried out on a two-dimensional linear vibronic model where geometric phase (GP) effects arising from a conical intersection profoundly affect nuclear dynamics. We find that the Wigner-then-Adiabatic (WA) QCL approach captures GP effects, whereas the Adiabatic-then-Wigner (AW) QCL approach does not. Moreover, the Wigner transform in AW-QCL leads to an ill-defined Fourier transform of double-valued functions. The double-valued character of these functions stems from the nontrivial GP of adiabatic electronic states in the presence of a conical intersection. In contrast, WA-QCL avoids this issue by starting with the Wigner transform of single-valued quantities of the full problem. As a consequence, GP effects in WA-QCL can be associated with a dynamical term in the corresponding equation of motion. Since the WA-QCL approach uses solely the adiabatic potentials and non-adiabatic derivative couplings as an input, our results indicate that WA-QCL can capture GP effects in two-state crossing problems using first-principles electronic structure calculations without prior diabatization or introduction of explicit phase factors.
Owerre, Solomon Akaraka; Paranjape, M. B.
2014-11-01
The Hamiltonian of a two-sublattice antiferromagnetic spins, with single (hard-axis) and double ion anisotropies described by H = J {\\hat S}1...\\hatS 2-2Jz \\hat {S}1z\\hat {S}2z+K(\\hat {S}1z2 +\\hat {S}2z2) is investigated using the method of effective potential. The problem is mapped to a single particle quantum-mechanical Hamiltonian in terms of the relative coordinate and reduced mass. We study the quantum-classical phase transition of the escape rate of this model. We show that the first-order phase transition for this model sets in at the critical value Jc = (Kc+Jz, c)/2 while for the anisotropic Heisenberg coupling H = J(S1xS2x +S1yS2y) + JzS1zS2z + K(S1z2+ S2z2) we obtain Jc = (2Kc-Jz, c)/3. The phase diagrams of the transition are also studied.
Analysis of geometric phase effects in the quantum-classical Liouville formalism
Energy Technology Data Exchange (ETDEWEB)
Ryabinkin, Ilya G.; Izmaylov, Artur F. [Department of Physical and Environmental Sciences, University of Toronto Scarborough, Toronto, Ontario M1C 1A4 (Canada); Chemical Physics Theory Group, Department of Chemistry, University of Toronto, Toronto, Ontario M5S 3H6 (Canada); Hsieh, Chang-Yu; Kapral, Raymond [Chemical Physics Theory Group, Department of Chemistry, University of Toronto, Toronto, Ontario M5S 3H6 (Canada)
2014-02-28
We analyze two approaches to the quantum-classical Liouville (QCL) formalism that differ in the order of two operations: Wigner transformation and projection onto adiabatic electronic states. The analysis is carried out on a two-dimensional linear vibronic model where geometric phase (GP) effects arising from a conical intersection profoundly affect nuclear dynamics. We find that the Wigner-then-Adiabatic (WA) QCL approach captures GP effects, whereas the Adiabatic-then-Wigner (AW) QCL approach does not. Moreover, the Wigner transform in AW-QCL leads to an ill-defined Fourier transform of double-valued functions. The double-valued character of these functions stems from the nontrivial GP of adiabatic electronic states in the presence of a conical intersection. In contrast, WA-QCL avoids this issue by starting with the Wigner transform of single-valued quantities of the full problem. As a consequence, GP effects in WA-QCL can be associated with a dynamical term in the corresponding equation of motion. Since the WA-QCL approach uses solely the adiabatic potentials and non-adiabatic derivative couplings as an input, our results indicate that WA-QCL can capture GP effects in two-state crossing problems using first-principles electronic structure calculations without prior diabatization or introduction of explicit phase factors.
Iterative quantum-classical path integral with dynamically consistent state hopping
Energy Technology Data Exchange (ETDEWEB)
Walters, Peter L.; Makri, Nancy [Department of Chemistry, University of Illinois, Urbana, Illinois 61801 (United States)
2016-01-28
We investigate the convergence of iterative quantum-classical path integral calculations in sluggish environments strongly coupled to a quantum system. The number of classical trajectories, thus the computational cost, grows rapidly (exponentially, unless filtering techniques are employed) with the memory length included in the calculation. We argue that the choice of the (single) trajectory branch during the time preceding the memory interval can significantly affect the memory length required for convergence. At short times, the trajectory branch associated with the reactant state improves convergence by eliminating spurious memory. We also introduce an instantaneous population-based probabilistic scheme which introduces state-to-state hops in the retained pre-memory trajectory branch, and which is designed to choose primarily the trajectory branch associated with the reactant at early times, but to favor the product state more as the reaction progresses to completion. Test calculations show that the dynamically consistent state hopping scheme leads to accelerated convergence and a dramatic reduction of computational effort.
Quantum-Classical Correspondence: Dynamical Quantization and the Classical Limit
International Nuclear Information System (INIS)
Turner, L
2004-01-01
In only 150 pages, not counting appendices, references, or the index, this book is one author's perspective of the massive theoretical and philosophical hurdles in the no-man's-land separating the classical and quantum domains of physics. It ends with him emphasizing his own theoretical contribution to this area. In his own words, he has attempted to answer: 1. How can we obtain the quantum dynamics of open systems initially described by the equations of motion of classical physics (quantization process) 2. How can we retrieve classical dynamics from the quantum mechanical equations of motion by means of a classical limiting process (dequantization process). However, this monograph seems overly ambitious. Although the publisher's description refers to this book as an accessible entre, we find that this author scrambles too hastily over the peaks of information that are contained in his large collection of 272 references. Introductory motivating discussions are lacking. Profound ideas are glossed over superficially and shoddily. Equations morph. But no new convincing understanding of the physical world results. The author takes the viewpoint that physical systems are always in interaction with their environment and are thus not isolated and, therefore, not Hamiltonian. This impels him to produce a method of quantization of these stochastic systems without the need of a Hamiltonian. He also has interest in obtaining the classical limit of the quantized results. However, this reviewer does not understand why one needs to consider open systems to understand quantum-classical correspondence. The author demonstrates his method using various examples of the Smoluchowski form of the Fokker--Planck equation. He then renders these equations in a Wigner representation, uses what he terms an infinitesimality condition, and associates with a constant having the dimensions of an action. He thereby claims to develop master equations, such as the Caldeira-Leggett equation, without
Cleaning graphene: A first quantum/classical molecular dynamics approach
Energy Technology Data Exchange (ETDEWEB)
Delfour, L.; Magaud, L., E-mail: emilie.despiau-pujo@cea.fr, E-mail: laurence.magaud@grenoble.cnrs.fr [Institut Néel, CNRS/Université Grenoble Alpes, 25 Avenue des Martyrs, 38054 Grenoble (France); Davydova, A.; Despiau-Pujo, E., E-mail: emilie.despiau-pujo@cea.fr, E-mail: laurence.magaud@grenoble.cnrs.fr; Cunge, G. [LTM, CNRS/Université Grenoble Alpes/CEA, 17 Avenue des Martyrs, 38054 Grenoble (France); Graves, D. B. [Department of Chemical and Biomolecular Engineering, University of California at Berkeley, Berkeley, California 94720 (United States)
2016-03-28
Graphene outstanding properties created a huge interest in the condensed matter community and unprecedented fundings at the international scale in the hope of application developments. Recently, there have been several reports of incomplete removal of the polymer resists used to transfer as-grown graphene from one substrate to another, resulting in altered graphene transport properties. Finding a large-scale solution to clean graphene from adsorbed residues is highly desirable and one promising possibility would be to use hydrogen plasmas. In this spirit, we couple here quantum and classical molecular dynamics simulations to explore the kinetic energy ranges required by atomic hydrogen to selectively etch a simple residue—a CH{sub 3} group—without irreversibly damaging the graphene. For incident energies in the 2–15 eV range, the CH{sub 3} radical can be etched by forming a volatile CH{sub 4} compound which leaves the surface, either in the CH{sub 4} form or breaking into CH{sub 3} + H fragments, without further defect formation. At this energy, adsorption of H atoms on graphene is possible and further annealing will be required to recover pristine graphene.
Basilevsky, M V
2002-01-01
We develop an approach for derivation of quantum-classical relaxation equations for a two-channel problem. The treatment is based on the adiabatic channel wavefunctions and the system-bath coupling is modelled as a bilinear interaction in momentum representation. In the quantum-classical limit we obtain Liouville equations with the relaxation operator containing diffusion terms diagonal in Liouvillian space and the off-diagonal part which is responsible for thermal interlevel transitions. The high-frequency interlevel quantum beats are fully taken into account in this relaxation term. In the framework of the present formulation and as a consequence of the momentum-dependent interaction the Smoluchovsky diffusion limit can be reached without invoking Fokker-Planck equations as an intermediate step. The inherent property of equations so obtained is that the partial rates of interlevel transitions obey the principle of detailed balance. This result could not be gained in earlier treatments of the two-level diffu...
Mixed quantum-classical studies of energy partitioning in unimolecular chemical reactions
Bladow, Landon Lowell
A mixed quantum-classical reaction path Hamiltonian method is utilized to study the dynamics of unimolecular reactions. The method treats motion along the reaction path classically and treats the transverse vibrations quantum mechanically. The theory leads to equations that predict the disposai of the exit-channel potential energy to product translation and vibration. In addition, vibrational state distributions are obtained for the product normal modes. Vibrational excitation results from the curvature of the minimum energy reaction path. The method is applied to six unimolecular reactions: HF elimination from fluoroethane, 1,1-difluoroethane, 1,1-difluoroethene, and trifluoromethane; and HCl elimination from chloroethane and acetyl chloride. The minimum energy paths were calculated at either the MP2 or B3LYP level of theory. In all cases, the majority of the vibrational excitation of the products occurs in the HX fragment. The results are compared to experimental data and other theoretical results, where available. The best agreement between the experimental and calculated HX vibrational distributions is found for the halogenated ethanes, and the experimental deduction that the majority of the HX vibrational excitation arises from the potential energy release is supported. It is believed that the excess energy provided in experiments contributes to the poorer agreement between experiment and theory observed for HF elimination from 1,1-difluoroethene and trifluoromethane. An attempt is described to incorporate a treatment of the excess energy into the present method. However, the sign of the curvature coupling elements is then found to affect the dynamics. Overall, the method appears to be an efficient dynamical tool for modeling the disposal of the exit-channel potential energy in unimolecular reactions.
Trajectory-based understanding of the quantum-classical transition for barrier scattering
Chou, Chia-Chun
2018-06-01
The quantum-classical transition of wave packet barrier scattering is investigated using a hydrodynamic description in the framework of a nonlinear Schrödinger equation. The nonlinear equation provides a continuous description for the quantum-classical transition of physical systems by introducing a degree of quantumness. Based on the transition equation, the transition trajectory formalism is developed to establish the connection between classical and quantum trajectories. The quantum-classical transition is then analyzed for the scattering of a Gaussian wave packet from an Eckart barrier and the decay of a metastable state. Computational results for the evolution of the wave packet and the transmission probabilities indicate that classical results are recovered when the degree of quantumness tends to zero. Classical trajectories are in excellent agreement with the transition trajectories in the classical limit, except in some regions where transition trajectories cannot cross because of the single-valuedness of the transition wave function. As the computational results demonstrate, the process that the Planck constant tends to zero is equivalent to the gradual removal of quantum effects originating from the quantum potential. This study provides an insightful trajectory interpretation for the quantum-classical transition of wave packet barrier scattering.
Mixed quantum-classical equilibrium in global flux surface hopping
International Nuclear Information System (INIS)
Sifain, Andrew E.; Wang, Linjun; Prezhdo, Oleg V.
2015-01-01
Global flux surface hopping (GFSH) generalizes fewest switches surface hopping (FSSH)—one of the most popular approaches to nonadiabatic molecular dynamics—for processes exhibiting superexchange. We show that GFSH satisfies detailed balance and leads to thermodynamic equilibrium with accuracy similar to FSSH. This feature is particularly important when studying electron-vibrational relaxation and phonon-assisted transport. By studying the dynamics in a three-level quantum system coupled to a classical atom in contact with a classical bath, we demonstrate that both FSSH and GFSH achieve the Boltzmann state populations. Thermal equilibrium is attained significantly faster with GFSH, since it accurately represents the superexchange process. GFSH converges closer to the Boltzmann averages than FSSH and exhibits significantly smaller statistical errors
Practical integrated simulation systems for coupled numerical simulations in parallel
Energy Technology Data Exchange (ETDEWEB)
Osamu, Hazama; Zhihong, Guo [Japan Atomic Energy Research Inst., Centre for Promotion of Computational Science and Engineering, Tokyo (Japan)
2003-07-01
In order for the numerical simulations to reflect 'real-world' phenomena and occurrences, incorporation of multidisciplinary and multi-physics simulations considering various physical models and factors are becoming essential. However, there still exist many obstacles which inhibit such numerical simulations. For example, it is still difficult in many instances to develop satisfactory software packages which allow for such coupled simulations and such simulations will require more computational resources. A precise multi-physics simulation today will require parallel processing which again makes it a complicated process. Under the international cooperative efforts between CCSE/JAERI and Fraunhofer SCAI, a German institute, a library called the MpCCI, or Mesh-based Parallel Code Coupling Interface, has been implemented together with a library called STAMPI to couple two existing codes to develop an 'integrated numerical simulation system' intended for meta-computing environments. (authors)
Quantum-Classical Correspondence Principle for Work Distributions
Directory of Open Access Journals (Sweden)
Christopher Jarzynski
2015-09-01
Full Text Available For closed quantum systems driven away from equilibrium, work is often defined in terms of projective measurements of initial and final energies. This definition leads to statistical distributions of work that satisfy nonequilibrium work and fluctuation relations. While this two-point measurement definition of quantum work can be justified heuristically by appeal to the first law of thermodynamics, its relationship to the classical definition of work has not been carefully examined. In this paper, we employ semiclassical methods, combined with numerical simulations of a driven quartic oscillator, to study the correspondence between classical and quantal definitions of work in systems with 1 degree of freedom. We find that a semiclassical work distribution, built from classical trajectories that connect the initial and final energies, provides an excellent approximation to the quantum work distribution when the trajectories are assigned suitable phases and are allowed to interfere. Neglecting the interferences between trajectories reduces the distribution to that of the corresponding classical process. Hence, in the semiclassical limit, the quantum work distribution converges to the classical distribution, decorated by a quantum interference pattern. We also derive the form of the quantum work distribution at the boundary between classically allowed and forbidden regions, where this distribution tunnels into the forbidden region. Our results clarify how the correspondence principle applies in the context of quantum and classical work distributions and contribute to the understanding of work and nonequilibrium work relations in the quantum regime.
Theory and simulation of laser plasma coupling
International Nuclear Information System (INIS)
Kruer, W.L.
1979-01-01
The theory and simulation of these coupling processes are considered. Particular emphasis is given to their nonlinear evolution. First a brief introduction to computer simulation of plasmas using particle codes is given. Then the absorption of light via the generation of plasma waves is considered, followed by a discussion of stimulated scattering of intense light. Finally these calculations are compared with experimental results
International Nuclear Information System (INIS)
Li, Zheng
2014-09-01
The advent of free electron lasers and high harmonic sources enables the investigation of electronic and nuclear dynamics of molecules and solids with atomic spatial resolution and femtosecond/attosecond time resolution, using bright and ultrashort laser pulses of frequency from terahertz to hard x-ray range. With the help of ultrashort laser pulses, the nuclear and electronic dynamics can be initiated, monitored and actively controlled at the typical time scale in the femtosecond to attosecond realm. Meanwhile, theoretical tools are required to describe the underlying mechanism. This doctoral thesis focuses on the development of theoretical tools based on full quantum mechanical multiconfiguration time-dependent Hartree (MCTDH) and mixed quantum classical approaches, which can be applied to describe the dynamical behavior of gas phase molecules and strongly correlated solids in the presence of ultrashort laser pulses. In the first part of this thesis, the focus is on the motion of electron holes in gas phase molecular ions created by extreme ultraviolet (XUV) photoionization and watched by spectroscopic approaches. The XUV photons create electron-hole in the valence orbitals of molecules by photoionization, the electron hole, as a positively charged quasi-particle, can then interact with the nuclei and the rest of electrons, leading to coupled non-Born-Oppenheimer dynamics. I present our study on electron-hole relaxation dynamics in valence ionized molecular ions of moderate size, using quantum wave packet and mixed quantum-classical approaches, using photoionized [H + (H 2 O) n ] + molecular ion as example. We have shown that the coupled motion of the electron-hole and the nuclei can be mapped out with femtosecond resolution by core-level x-ray transient absorption spectroscopy. Furthermore, in specific cases, the XUV photon can create a coherent electron hole, that can maintain its coherence to time scales of ∝ 1 picosecond. Employing XUV pump - IR probe
Numerical simulations of coupled problems in engineering
2014-01-01
This book presents and discusses mathematical models, numerical methods and computational techniques used for solving coupled problems in science and engineering. It takes a step forward in the formulation and solution of real-life problems with a multidisciplinary vision, accounting for all of the complex couplings involved in the physical description. Simulation of multifaceted physics problems is a common task in applied research and industry. Often a suitable solver is built by connecting together several single-aspect solvers into a network. In this book, research in various fields was selected for consideration: adaptive methodology for multi-physics solvers, multi-physics phenomena and coupled-field solutions, leading to computationally intensive structural analysis. The strategies which are used to keep these problems computationally affordable are of special interest, and make this an essential book.
Coupled simulation of steam line break accident
International Nuclear Information System (INIS)
Royer, E.; Raimond, E.; Caruge, D.
2000-01-01
The steam line break is a PWR type reactor design accident, which concerns coupled physical phenomena. To control these problems simulation are needed to define and validate the operating procedures. The benchmark OECD PWR MSLB (Main Steam Line Break) has been proposed by the OECD to validate the feasibility and the contribution of the multi-dimensional tools in the simulation of the core transients. First the benchmark OECD PWR MSLB is presented. Then the analysis of the three exercises (system with pinpoint kinetic, three-dimensional core and whole system with three-dimensional core) are discussed. (A.L.B.)
SIMULATE-3 K coupled code applications
Energy Technology Data Exchange (ETDEWEB)
Joensson, Christian [Studsvik Scandpower AB, Vaesteraas (Sweden); Grandi, Gerardo; Judd, Jerry [Studsvik Scandpower Inc., Idaho Falls, ID (United States)
2017-07-15
This paper describes the coupled code system TRACE/SIMULATE-3 K/VIPRE and the application of this code system to the OECD PWR Main Steam Line Break. A short description is given for the application of the coupled system to analyze DNBR and the flexibility the system creates for the user. This includes the possibility to compare and evaluate the result with the TRACE/SIMULATE-3K (S3K) coupled code, the S3K standalone code (core calculation) as well as performing single-channel calculations with S3K and VIPRE. This is the typical separate-effect-analyses required for advanced calculations in order to develop methodologies to be used for safety analyses in general. The models and methods of the code systems are presented. The outline represents the analysis approach starting with the coupled code system, reactor and core model calculation (TRACE/S3K). This is followed by a more detailed core evaluation (S3K standalone) and finally a very detailed thermal-hydraulic investigation of the hot pin condition (VIPRE).
Semenov, Alexander; Babikov, Dmitri
2016-06-09
Theoretical foundation is laid out for description of permutation symmetry in the inelastic scattering processes that involve collisions of two identical molecules, within the framework of the mixed quantum/classical theory (MQCT). In this approach, the rotational (and vibrational) states of two molecules are treated quantum-mechanically, whereas their translational motion (responsible for scattering) is treated classically. This theory is applied to H2 + H2 system, and the state-to-state transition cross sections are compared versus those obtained from the full-quantum calculations and experimental results from the literature. Good agreement is found in all cases. It is also found that results of MQCT, where the Coriolis coupling is included classically, are somewhat closer to exact full-quantum results than results of the other approximate quantum methods, where those coupling terms are neglected. These new developments allow applications of MQCT to a broad variety of molecular systems and processes.
Dynamic bounds coupled with Monte Carlo simulations
Energy Technology Data Exchange (ETDEWEB)
Rajabalinejad, M., E-mail: M.Rajabalinejad@tudelft.n [Faculty of Civil Engineering, Delft University of Technology, Delft (Netherlands); Meester, L.E. [Delft Institute of Applied Mathematics, Delft University of Technology, Delft (Netherlands); Gelder, P.H.A.J.M. van; Vrijling, J.K. [Faculty of Civil Engineering, Delft University of Technology, Delft (Netherlands)
2011-02-15
For the reliability analysis of engineering structures a variety of methods is known, of which Monte Carlo (MC) simulation is widely considered to be among the most robust and most generally applicable. To reduce simulation cost of the MC method, variance reduction methods are applied. This paper describes a method to reduce the simulation cost even further, while retaining the accuracy of Monte Carlo, by taking into account widely present monotonicity. For models exhibiting monotonic (decreasing or increasing) behavior, dynamic bounds (DB) are defined, which in a coupled Monte Carlo simulation are updated dynamically, resulting in a failure probability estimate, as well as a strict (non-probabilistic) upper and lower bounds. Accurate results are obtained at a much lower cost than an equivalent ordinary Monte Carlo simulation. In a two-dimensional and a four-dimensional numerical example, the cost reduction factors are 130 and 9, respectively, where the relative error is smaller than 5%. At higher accuracy levels, this factor increases, though this effect is expected to be smaller with increasing dimension. To show the application of DB method to real world problems, it is applied to a complex finite element model of a flood wall in New Orleans.
Benchmark simulations of ICRF antenna coupling
International Nuclear Information System (INIS)
Louche, F.; Lamalle, P. U.; Messiaen, A. M.; Compernolle, B. van; Milanesio, D.; Maggiora, R.
2007-01-01
The paper reports on ongoing benchmark numerical simulations of antenna input impedance parameters in the ion cyclotron range of frequencies with different coupling codes: CST Microwave Studio, TOPICA and ANTITER 2. In particular we study the validity of the approximation of a magnetized plasma slab by a dielectric medium of suitably chosen permittivity. Different antenna models are considered: a single-strap antenna, a 4-strap antenna and the 24-strap ITER antenna array. Whilst the diagonal impedances are mostly in good agreement, some differences between the mutual terms predicted by Microwave Studio and TOPICA have yet to be resolved
Quantum-classical transition in the electron dynamics of thin metal films
Energy Technology Data Exchange (ETDEWEB)
Jasiak, R; Manfredi, G; Hervieux, P-A [Institut de Physique et Chimie des Materiaux, CNRS and Universite de Strasbourg, BP 43, F-67034 Strasbourg (France); Haefele, M [INRIA Nancy Grand-Est and Institut de Recherche en Mathematiques Avancees, 7 rue Rene Descartes, F-67084 Strasbourg (France)], E-mail: Giovanni.Manfredi@ipcms.u-strasbg.fr
2009-06-15
The quantum electrons dynamics in a thin metal film is studied numerically using the self-consistent Wigner-Poisson equations. The initial equilibrium is computed from the Kohn-Sham equations at finite temperature, and then mapped into the phase-space Wigner function. The time-dependent results are compared systematically with those obtained previously with a classical approach (Vlasov-Poisson equations). It is found that, for large excitations, the quantum and classical dynamics display the same low-frequency oscillations due to ballistic electrons bouncing back and forth on the film surfaces. However, below a certain excitation energy (roughly corresponding to one quantum of plasmon energy {Dirac_h}{omega}{sub p}), the quantum and classical results diverge, and the ballistic oscillations are no longer observed. These results provide an example of a quantum-classical transition that may be observed with current pump-probe experiments on thin metal films.
Quantum-classical transition in the electron dynamics of thin metal films
International Nuclear Information System (INIS)
Jasiak, R; Manfredi, G; Hervieux, P-A; Haefele, M
2009-01-01
The quantum electrons dynamics in a thin metal film is studied numerically using the self-consistent Wigner-Poisson equations. The initial equilibrium is computed from the Kohn-Sham equations at finite temperature, and then mapped into the phase-space Wigner function. The time-dependent results are compared systematically with those obtained previously with a classical approach (Vlasov-Poisson equations). It is found that, for large excitations, the quantum and classical dynamics display the same low-frequency oscillations due to ballistic electrons bouncing back and forth on the film surfaces. However, below a certain excitation energy (roughly corresponding to one quantum of plasmon energy ℎω p ), the quantum and classical results diverge, and the ballistic oscillations are no longer observed. These results provide an example of a quantum-classical transition that may be observed with current pump-probe experiments on thin metal films.
Ivanov, Mikhail V; Babikov, Dmitri
2012-05-14
Efficient method is proposed for computing thermal rate constant of recombination reaction that proceeds according to the energy transfer mechanism, when an energized molecule is formed from reactants first, and is stabilized later by collision with quencher. The mixed quantum-classical theory for the collisional energy transfer and the ro-vibrational energy flow [M. Ivanov and D. Babikov, J. Chem. Phys. 134, 144107 (2011)] is employed to treat the dynamics of molecule + quencher collision. Efficiency is achieved by sampling simultaneously (i) the thermal collision energy, (ii) the impact parameter, and (iii) the incident direction of quencher, as well as (iv) the rotational state of energized molecule. This approach is applied to calculate third-order rate constant of the recombination reaction that forms the (16)O(18)O(16)O isotopomer of ozone. Comparison of the predicted rate vs. experimental result is presented.
Semenov, Alexander; Babikov, Dmitri
2014-01-16
For computational treatment of rotationally inelastic scattering of molecules, we propose to use the mixed quantum/classical theory, MQCT. The old idea of treating translational motion classically, while quantum mechanics is used for rotational degrees of freedom, is developed to the new level and is applied to Na + N2 collisions in a broad range of energies. Comparison with full-quantum calculations shows that MQCT accurately reproduces all, even minor, features of energy dependence of cross sections, except scattering resonances at very low energies. The remarkable success of MQCT opens up wide opportunities for computational predictions of inelastic scattering cross sections at higher temperatures and/or for polyatomic molecules and heavier quenchers, which is computationally close to impossible within the full-quantum framework.
Quantum flesh on classical bones: Semiclassical bridges across the quantum-classical divide
Energy Technology Data Exchange (ETDEWEB)
Bokulich, Alisa [Center for Philosophy and History of Science, Boston University, Boston, MA (United States)
2014-07-01
Traditionally quantum mechanics is viewed as having made a sharp break from classical mechanics, and the concepts and methods of these two theories are viewed as incommensurable with one another. A closer examination of the history of quantum mechanics, however, reveals that there is a strong sense in which quantum mechanics was built on the backbone of classical mechanics. As a result, there is a considerable structural continuity between these two theories, despite their important differences. These structural continuities provide a ground for semiclassical methods in which classical structures, such as trajectories, are used to investigate and model quantum phenomena. After briefly tracing the history of semiclassical approaches, I show how current research in semiclassical mechanics is revealing new bridges across the quantum-classical divide.
Coupled numerical simulation of fire in tunnel
Pesavento, F.; Pachera, M.; Schrefler, B. A.; Gawin, D.; Witek, A.
2018-01-01
In this work, a coupling strategy for the analysis of a tunnel under fire is presented. This strategy consists in a "one-way" coupling between a tool considering the computational fluid dynamics and radiation with a model treating concrete as a multiphase porous material exposed to high temperature. This global approach allows for taking into account in a realistic manner the behavior of the "system tunnel", composed of the fluid and the solid domain (i.e. the concrete structures), from the fire onset, its development and propagation to the response of the structure. The thermal loads as well as the moisture exchange between the structure surface and the environment are calculated by means of computational fluid dynamics. These set of data are passed in an automatic way to the numerical tool implementing a model based on Multiphase Porous Media Mechanics. Thanks to this strategy the structural verification is no longer based on the standard fire curves commonly used in the engineering practice, but it is directly related to a realistic fire scenario. To show the capability of this strategy some numerical simulations of a fire in the Brenner Base Tunnel, under construction between Italy and Austria, is presented. The numerical simulations show the effects of a more realistic distribution of the thermal loads with respect to the ones obtained by using the standard fire curves. Moreover, it is possible to highlight how the localized thermal load generates a non-uniform pressure rise in the material, which results in an increase of the structure stress state and of the spalling risk. Spalling is likely the most dangerous collapse mechanism for a concrete structure. This coupling approach still represents a "one way" strategy, i.e. realized without considering explicitly the mass and energy exchange from the structure to the fluid through the interface. This results in an approximation, but from physical point of view the current form of the solid-fluid coupling is
A Coupling Tool for Parallel Molecular Dynamics-Continuum Simulations
Neumann, Philipp; Tchipev, Nikola
2012-01-01
We present a tool for coupling Molecular Dynamics and continuum solvers. It is written in C++ and is meant to support the developers of hybrid molecular - continuum simulations in terms of both realisation of the respective coupling algorithm
A quantum - classical simulation of a multi-surface multi-mode ...
Indian Academy of Sciences (India)
Chem. Phys. 10 6388. [12] Sardar S, Paul A K, Sharma R and Adhikari S 2009 J. Chem. Phys. 130 144302. [13] Sardar S, Paul A K, and Adhikari S 2009 Mol. Phys. 23-24 2467. [14] Sardar S, Paul A K, Sharma R, Adhikari S, 2011 Int. J. Quant. Chem. 111 2741. [15] Dirac P A M, 1930 Proc. Cambridge Philos. Soc. 26 376. 5.
Nonadiabatic semiclassical dynamics in the mixed quantum-classical initial value representation
Church, Matthew S.; Hele, Timothy J. H.; Ezra, Gregory S.; Ananth, Nandini
2018-03-01
We extend the Mixed Quantum-Classical Initial Value Representation (MQC-IVR), a semiclassical method for computing real-time correlation functions, to electronically nonadiabatic systems using the Meyer-Miller-Stock-Thoss (MMST) Hamiltonian in order to treat electronic and nuclear degrees of freedom (dofs) within a consistent dynamic framework. We introduce an efficient symplectic integration scheme, the MInt algorithm, for numerical time evolution of the phase space variables and monodromy matrix under the non-separable MMST Hamiltonian. We then calculate the probability of transmission through a curve crossing in model two-level systems and show that MQC-IVR reproduces quantum-limit semiclassical results in good agreement with exact quantum methods in one limit, and in the other limit yields results that are in keeping with classical limit semiclassical methods like linearized IVR. Finally, exploiting the ability of the MQC-IVR to quantize different dofs to different extents, we present a detailed study of the extents to which quantizing the nuclear and electronic dofs improves numerical convergence properties without significant loss of accuracy.
The quantum-classical divide understood in terms of Bohm's holographic paradigm
Energy Technology Data Exchange (ETDEWEB)
Matarese, Vera [The University of Hong Kong (China)
2014-07-01
This paper aims to interpret the problem of the quantum-classical divide following Bohm's holographic model and to reformulate it as an indication of a new physical order. First of all I briefly outline the differences between the classical world and the quantum one (such as locality against nonlocality, determinism against indeterminism and continuity against discontinuity); then I claim that in order to understand the divide between the two domains we should start from what is common, and regard them as two abstractions and limiting cases of a general theory. In particular, following Bohm, I show that the central notion of this new theory is an undivided whole characterized by a general order consisting of a holomovement from an implicate order - the quantum domain - to an explicate order - in the classical domain. This part is explained with the aid of the structure of the hologram and is supported by a reflection on some key terms such as 'order', 'structure', 'implicate' and 'explicate'. Finally I propose that this movement of unfoldment and enfoldment can explain the apparent incompatibility of the two physical domains and the passage from one to the other.
Babikov, Dmitri; Semenov, Alexander
2016-01-28
A mixed quantum/classical approach to inelastic scattering (MQCT) is developed in which the relative motion of two collision partners is treated classically, and the rotational and vibrational motion of each molecule is treated quantum mechanically. The cases of molecule + atom and molecule + molecule are considered including diatomics, symmetric-top rotors, and asymmetric-top rotor molecules. Phase information is taken into consideration, permitting calculations of elastic and inelastic, total and differential cross sections for excitation and quenching. The method is numerically efficient and intrinsically parallel. The scaling law of MQCT is favorable, which enables calculations at high collision energies and for complicated molecules. Benchmark studies are carried out for several quite different molecular systems (N2 + Na, H2 + He, CO + He, CH3 + He, H2O + He, HCOOCH3 + He, and H2 + N2) in a broad range of collision energies, which demonstrates that MQCT is a viable approach to inelastic scattering. At higher collision energies it can confidently replace the computationally expensive full-quantum calculations. At low collision energies and for low-mass systems results of MQCT are less accurate but are still reasonable. A proposal is made for blending MQCT calculations at higher energies with full-quantum calculations at low energies.
Diagrammatic Monte Carlo simulations of staggered fermions at finite coupling
Vairinhos, Helvio
2016-01-01
Diagrammatic Monte Carlo has been a very fruitful tool for taming, and in some cases even solving, the sign problem in several lattice models. We have recently proposed a diagrammatic model for simulating lattice gauge theories with staggered fermions at arbitrary coupling, which extends earlier successful efforts to simulate lattice QCD at finite baryon density in the strong-coupling regime. Here we present the first numerical simulations of our model, using worm algorithms.
Vacancy formation energy near an edge dislocation: A hybrid quantum-classical study
International Nuclear Information System (INIS)
Tavazza, F.; Wagner, R.; Chaka, A.M.; Levine, L.E.
2005-01-01
In this work, the formation energy of a single vacancy in aluminum at different distances from an edge dislocation core is studied using a new, hybrid ab initio-classical potential methodology. Such an approach allows us to conduct large-scale atomistic simulations with a simple classical potential (embedded atom method (EAM), for instance) while simultaneously using the more accurate ab initio approach (first principles quantum mechanics) for critical embedded regions. The coupling is made through shared shells of atoms where the two atomistic modeling approaches are relaxed in an iterative, self-consistent manner. The small, critical region is relaxed using all electron density functional theory (DFT) and the much larger cell in which this is embedded is relaxed using a minimization algorithm with EAM potentials
Dynamic bounds coupled with Monte Carlo simulations
Rajabali Nejad, Mohammadreza; Meester, L.E.; van Gelder, P.H.A.J.M.; Vrijling, J.K.
2011-01-01
For the reliability analysis of engineering structures a variety of methods is known, of which Monte Carlo (MC) simulation is widely considered to be among the most robust and most generally applicable. To reduce simulation cost of the MC method, variance reduction methods are applied. This paper
Brambila, Danilo
2012-05-01
Quantum chaos has emerged in the half of the last century with the notorious problem of scattering of heavy nuclei. Since then, theoreticians have developed powerful techniques to approach disordered quantum systems. In the late 70\\'s, Casati and Chirikov initiated a new field of research by studying the quantum counterpart of classical problems that are known to exhibit chaos. Among the several quantum-classical chaotic systems studied, the kicked rotor stimulated a lot of enthusiasm in the scientific community due to its equivalence to the Anderson tight binding model. This equivalence allows one to map the random Anderson model into a set of fully deterministic equations, making the theoretical analysis of Anderson localization considerably simpler. In the one-dimensional linear regime, it is known that Anderson localization always prevents the diffusion of the momentum. On the other hand, for higher dimensions it was demonstrated that for certain conditions of the disorder parameter, Anderson localized modes can be inhibited, allowing then a phase transition from localized (insulating) to delocalized (metallic) states. In this thesis we will numerically and theoretically investigate the properties of a multidimensional quantum kicked rotor in a nonlinear medium. The presence of nonlinearity is particularly interesting as it raises the possibility of having soliton waves as eigenfunctions of the systems. We keep the generality of our approach by using an adjustable diffusive nonlinearity, which can describe several physical phenomena. By means of Variational Calculus we develop a chaotic map which fully describes the soliton dynamics. The analysis of such a map shows a rich physical scenario that evidences the wave-particle behavior of a soliton. Through the nonlinearity, we trace a correspondence between quantum and classical mechanics, which has no equivalent in linearized systems. Matter waves experiments provide an ideal environment for studying Anderson
Energy Technology Data Exchange (ETDEWEB)
HOLM,ELIZABETH A.; BATTAILE,CORBETT C.; BUCHHEIT,THOMAS E.; FANG,HUEI ELIOT; RINTOUL,MARK DANIEL; VEDULA,VENKATA R.; GLASS,S. JILL; KNOROVSKY,GERALD A.; NEILSEN,MICHAEL K.; WELLMAN,GERALD W.; SULSKY,DEBORAH; SHEN,YU-LIN; SCHREYER,H. BUCK
2000-04-01
Computational materials simulations have traditionally focused on individual phenomena: grain growth, crack propagation, plastic flow, etc. However, real materials behavior results from a complex interplay between phenomena. In this project, the authors explored methods for coupling mesoscale simulations of microstructural evolution and micromechanical response. In one case, massively parallel (MP) simulations for grain evolution and microcracking in alumina stronglink materials were dynamically coupled. In the other, codes for domain coarsening and plastic deformation in CuSi braze alloys were iteratively linked. this program provided the first comparison of two promising ways to integrate mesoscale computer codes. Coupled microstructural/micromechanical codes were applied to experimentally observed microstructures for the first time. In addition to the coupled codes, this project developed a suite of new computational capabilities (PARGRAIN, GLAD, OOF, MPM, polycrystal plasticity, front tracking). The problem of plasticity length scale in continuum calculations was recognized and a solution strategy was developed. The simulations were experimentally validated on stockpile materials.
Coupled multiscale simulation and optimization in nanoelectronics
2015-01-01
Designing complex integrated circuits relies heavily on mathematical methods and calls for suitable simulation and optimization tools. The current design approach involves simulations and optimizations in different physical domains (device, circuit, thermal, electromagnetic) and in a range of electrical engineering disciplines (logic, timing, power, crosstalk, signal integrity, system functionality). COMSON was a Marie Curie Research Training Network created to meet these new scientific and training challenges by (a) developing new descriptive models that take these mutual dependencies into account, (b) combining these models with existing circuit descriptions in new simulation strategies, and (c) developing new optimization techniques that will accommodate new designs. The book presents the main project results in the fields of PDAE modeling and simulation, model order reduction techniques and optimization, based on merging the know-how of three major European semiconductor companies with the combined expe...
Simulation of coupled electromagnetic and heat dissipation problems
Janssen, H.H.J.M.; Maten, ter E.J.W.; Houwelingen, van D.
1994-01-01
A description is given of an integrated simulation environment for the solution of coupled electromagnetic and heat dissipation problems in two dimensions, in particular for the field of induction heating, dielectric heating, and hysteresis heating. The equations are coupled because the most
International Nuclear Information System (INIS)
Megow, Joerg; Kulesza, Alexander; Qu Zhengwang; Ronneberg, Thomas; Bonacic-Koutecky, Vlasta; May, Volkhard
2010-01-01
Graphical abstract: Structure of a single Pheo (green: C-atoms, blue: N-atoms, red; O-atoms, light grey: H-atoms). - Abstract: Linear absorption spectra of a single Pheophorbid-a molecule (Pheo) dissolved in ethanol are calculated in a mixed quantum-classical approach. In this computational scheme the absorbance is mainly determined by the time-dependent fluctuations of the energy gap between the Pheo ground and excited electronic state. The actual magnitude of the energy gap is caused by the electrostatic solvent solute coupling as well as by contributions due to intra Pheo vibrations. For the latter a new approach is proposed which is based on precalculated potential energy surfaces (PES) described in a harmonic approximation. To get the respective nuclear equilibrium configurations and Hessian matrices of the two involved electronic states we carried out the necessary electronic structure calculations in a DFT-framework. Since the Pheo changes its spatial orientation in the course of a MD run, the nuclear equilibrium configurations change their spatial position, too. Introducing a particular averaging procedure, these configurations are determined from the actual MD trajectories. The usability of the approach is underlined by a perfect reproduction of experimental data. This also demonstrates that our proposed method is suitable for the description of more complex systems in future investigations.
Semenov, Alexander; Babikov, Dmitri
2015-12-17
The mixed quantum classical theory, MQCT, for inelastic scattering of two molecules is developed, in which the internal (rotational, vibrational) motion of both collision partners is treated with quantum mechanics, and the molecule-molecule scattering (translational motion) is described by classical trajectories. The resultant MQCT formalism includes a system of coupled differential equations for quantum probability amplitudes, and the classical equations of motion in the mean-field potential. Numerical tests of this theory are carried out for several most important rotational state-to-state transitions in the N2 + H2 system, in a broad range of collision energies. Besides scattering resonances (at low collision energies) excellent agreement with full-quantum results is obtained, including the excitation thresholds, the maxima of cross sections, and even some smaller features, such as slight oscillations of energy dependencies. Most importantly, at higher energies the results of MQCT are nearly identical to the full quantum results, which makes this approach a good alternative to the full-quantum calculations that become computationally expensive at higher collision energies and for heavier collision partners. Extensions of this theory to include vibrational transitions or general asymmetric-top rotor (polyatomic) molecules are relatively straightforward.
Two-way coupling of magnetohydrodynamic simulations with embedded particle-in-cell simulations
Makwana, K. D.; Keppens, R.; Lapenta, G.
2017-12-01
We describe a method for coupling an embedded domain in a magnetohydrodynamic (MHD) simulation with a particle-in-cell (PIC) method. In this two-way coupling we follow the work of Daldorff et al. (2014) [19] in which the PIC domain receives its initial and boundary conditions from MHD variables (MHD to PIC coupling) while the MHD simulation is updated based on the PIC variables (PIC to MHD coupling). This method can be useful for simulating large plasma systems, where kinetic effects captured by particle-in-cell simulations are localized but affect global dynamics. We describe the numerical implementation of this coupling, its time-stepping algorithm, and its parallelization strategy, emphasizing the novel aspects of it. We test the stability and energy/momentum conservation of this method by simulating a steady-state plasma. We test the dynamics of this coupling by propagating plasma waves through the embedded PIC domain. Coupling with MHD shows satisfactory results for the fast magnetosonic wave, but significant distortion for the circularly polarized Alfvén wave. Coupling with Hall-MHD shows excellent coupling for the whistler wave. We also apply this methodology to simulate a Geospace Environmental Modeling (GEM) challenge type of reconnection with the diffusion region simulated by PIC coupled to larger scales with MHD and Hall-MHD. In both these cases we see the expected signatures of kinetic reconnection in the PIC domain, implying that this method can be used for reconnection studies.
Event-based simulation of networks with pulse delayed coupling
Klinshov, Vladimir; Nekorkin, Vladimir
2017-10-01
Pulse-mediated interactions are common in networks of different nature. Here we develop a general framework for simulation of networks with pulse delayed coupling. We introduce the discrete map governing the dynamics of such networks and describe the computation algorithm for its numerical simulation.
N-body simulations for coupled scalar-field cosmology
International Nuclear Information System (INIS)
Li Baojiu; Barrow, John D.
2011-01-01
We describe in detail the general methodology and numerical implementation of consistent N-body simulations for coupled-scalar-field models, including background cosmology and the generation of initial conditions (with the different couplings to different matter species taken into account). We perform fully consistent simulations for a class of coupled-scalar-field models with an inverse power-law potential and negative coupling constant, for which the chameleon mechanism does not work. We find that in such cosmological models the scalar-field potential plays a negligible role except in the background expansion, and the fifth force that is produced is proportional to gravity in magnitude, justifying the use of a rescaled gravitational constant G in some earlier N-body simulation works for similar models. We then study the effects of the scalar coupling on the nonlinear matter power spectra and compare with linear perturbation calculations to see the agreement and places where the nonlinear treatment deviates from the linear approximation. We also propose an algorithm to identify gravitationally virialized matter halos, trying to take account of the fact that the virialization itself is also modified by the scalar-field coupling. We use the algorithm to measure the mass function and study the properties of dark-matter halos. We find that the net effect of the scalar coupling helps produce more heavy halos in our simulation boxes and suppresses the inner (but not the outer) density profile of halos compared with the ΛCDM prediction, while the suppression weakens as the coupling between the scalar field and dark-matter particles increases in strength.
Coupling Computer-Aided Process Simulation and ...
A methodology is described for developing a gate-to-gate life cycle inventory (LCI) of a chemical manufacturing process to support the application of life cycle assessment in the design and regulation of sustainable chemicals. The inventories were derived by first applying process design and simulation of develop a process flow diagram describing the energy and basic material flows of the system. Additional techniques developed by the U.S. Environmental Protection Agency for estimating uncontrolled emissions from chemical processing equipment were then applied to obtain a detailed emission profile for the process. Finally, land use for the process was estimated using a simple sizing model. The methodology was applied to a case study of acetic acid production based on the Cativa tm process. The results reveal improvements in the qualitative LCI for acetic acid production compared to commonly used databases and top-down methodologies. The modeling techniques improve the quantitative LCI results for inputs and uncontrolled emissions. With provisions for applying appropriate emission controls, the proposed method can provide an estimate of the LCI that can be used for subsequent life cycle assessments. As part of its mission, the Agency is tasked with overseeing the use of chemicals in commerce. This can include consideration of a chemical's potential impact on health and safety, resource conservation, clean air and climate change, clean water, and sustainable
Simulation of Stochastic Processes by Coupled ODE-PDE
Zak, Michail
2008-01-01
A document discusses the emergence of randomness in solutions of coupled, fully deterministic ODE-PDE (ordinary differential equations-partial differential equations) due to failure of the Lipschitz condition as a new phenomenon. It is possible to exploit the special properties of ordinary differential equations (represented by an arbitrarily chosen, dynamical system) coupled with the corresponding Liouville equations (used to describe the evolution of initial uncertainties in terms of joint probability distribution) in order to simulate stochastic processes with the proscribed probability distributions. The important advantage of the proposed approach is that the simulation does not require a random-number generator.
A Coupling Tool for Parallel Molecular Dynamics-Continuum Simulations
Neumann, Philipp
2012-06-01
We present a tool for coupling Molecular Dynamics and continuum solvers. It is written in C++ and is meant to support the developers of hybrid molecular - continuum simulations in terms of both realisation of the respective coupling algorithm as well as parallel execution of the hybrid simulation. We describe the implementational concept of the tool and its parallel extensions. We particularly focus on the parallel execution of particle insertions into dense molecular systems and propose a respective parallel algorithm. Our implementations are validated for serial and parallel setups in two and three dimensions. © 2012 IEEE.
Stabilization effect of fission source in coupled Monte Carlo simulations
Energy Technology Data Exchange (ETDEWEB)
Olsen, Borge; Dufek, Jan [Div. of Nuclear Reactor Technology, KTH Royal Institute of Technology, AlbaNova University Center, Stockholm (Sweden)
2017-08-15
A fission source can act as a stabilization element in coupled Monte Carlo simulations. We have observed this while studying numerical instabilities in nonlinear steady-state simulations performed by a Monte Carlo criticality solver that is coupled to a xenon feedback solver via fixed-point iteration. While fixed-point iteration is known to be numerically unstable for some problems, resulting in large spatial oscillations of the neutron flux distribution, we show that it is possible to stabilize it by reducing the number of Monte Carlo criticality cycles simulated within each iteration step. While global convergence is ensured, development of any possible numerical instability is prevented by not allowing the fission source to converge fully within a single iteration step, which is achieved by setting a small number of criticality cycles per iteration step. Moreover, under these conditions, the fission source may converge even faster than in criticality calculations with no feedback, as we demonstrate in our numerical test simulations.
System Simulation by Recursive Feedback: Coupling a Set of Stand-Alone Subsystem Simulations
Nixon, D. D.
2001-01-01
Conventional construction of digital dynamic system simulations often involves collecting differential equations that model each subsystem, arran g them to a standard form, and obtaining their numerical gin solution as a single coupled, total-system simultaneous set. Simulation by numerical coupling of independent stand-alone subsimulations is a fundamentally different approach that is attractive because, among other things, the architecture naturally facilitates high fidelity, broad scope, and discipline independence. Recursive feedback is defined and discussed as a candidate approach to multidiscipline dynamic system simulation by numerical coupling of self-contained, single-discipline subsystem simulations. A satellite motion example containing three subsystems (orbit dynamics, attitude dynamics, and aerodynamics) has been defined and constructed using this approach. Conventional solution methods are used in the subsystem simulations. Distributed and centralized implementations of coupling have been considered. Numerical results are evaluated by direct comparison with a standard total-system, simultaneous-solution approach.
Micromagnetic simulation of exchange coupled ferri-/ferromagnetic heterostructures
Energy Technology Data Exchange (ETDEWEB)
Oezelt, Harald, E-mail: harald.oezelt@fhstp.ac.at [Industrial Simulation, St. Pölten University of Applied Sciences, Matthias Corvinus-Straße 15, A-3100 St. Pölten (Austria); Kovacs, Alexander; Reichel, Franz; Fischbacher, Johann; Bance, Simon [Industrial Simulation, St. Pölten University of Applied Sciences, Matthias Corvinus-Straße 15, A-3100 St. Pölten (Austria); Gusenbauer, Markus [Center for Integrated Sensor Systems, Danube University Krems, Viktor Kaplan-Straße 2, A-2700 Wiener Neustadt (Austria); Schubert, Christian; Albrecht, Manfred [Institute of Physics, Chemnitz University of Technology, Reichenhainer Straße 70, D-09126 Chemnitz (Germany); Institute of Physics, University of Augsburg, Universitätsstraße 1, D-86159 Augsburg (Germany); Schrefl, Thomas [Industrial Simulation, St. Pölten University of Applied Sciences, Matthias Corvinus-Straße 15, A-3100 St. Pölten (Austria); Center for Integrated Sensor Systems, Danube University Krems, Viktor Kaplan-Straße 2, A-2700 Wiener Neustadt (Austria)
2015-05-01
Exchange coupled ferri-/ferromagnetic heterostructures are a possible material composition for future magnetic storage and sensor applications. In order to understand the driving mechanisms in the demagnetization process, we perform micromagnetic simulations by employing the Landau–Lifshitz–Gilbert equation. The magnetization reversal is dominated by pinning events within the amorphous ferrimagnetic layer and at the interface between the ferrimagnetic and the ferromagnetic layer. The shape of the computed magnetization reversal loop corresponds well with experimental data, if a spatial variation of the exchange coupling across the ferri-/ferromagnetic interface is assumed. - Highlights: • We present a model for exchange coupled ferri-/ferromagnetic heterostructures. • We incorporate the microstructural features of the amorphous ferrimagnet. • A distribution of interface exchange coupling is assumed to fit experimental data. • The reversal is dominated by pinning within the ferrimagnet and at the interface.
Coupling of the reservoir simulator TOUGH and the wellbore simulator WFSA
Energy Technology Data Exchange (ETDEWEB)
Hadgu, T.; Zimmerman, R.W.; Bodvarsson [Lawrence Berkeley Laboratory, Berkeley, CA (United States)
1995-03-01
The reservoir simulator TOUGH and the wellbore simulator WFSA have been coupled, so as to allow simultaneous modeling of the flow of geothermal brine in the reservoir as well as in the wellbore. A new module, COUPLE, allows WFSA to be called as a subroutine by TOUGH. The mass flowrate computed by WFSA now serves as a source/sink term for the TOUGH wellblocks. Sample problems are given to illustrate the use of the coupled codes. One of these problems compares the results of the new simulation method to those obtained using the deliverability option in TOUGH. The coupled computing procedure is shown to simulate more accurately the behavior of a geothermal reservoir under exploitation.
SAPS simulation with GITM/UCLA-RCM coupled model
Lu, Y.; Deng, Y.; Guo, J.; Zhang, D.; Wang, C. P.; Sheng, C.
2017-12-01
Abstract: SAPS simulation with GITM/UCLA-RCM coupled model Author: Yang Lu, Yue Deng, Jiapeng Guo, Donghe Zhang, Chih-Ping Wang, Cheng Sheng Ion velocity in the Sub Aurora region observed by Satellites in storm time often shows a significant westward component. The high speed westward stream is distinguished with convection pattern. These kind of events are called Sub Aurora Polarization Stream (SAPS). In March 17th 2013 storm, DMSP F18 satellite observed several SAPS cases when crossing Sub Aurora region. In this study, Global Ionosphere Thermosphere Model (GITM) has been coupled to UCLA-RCM model to simulate the impact of SAPS during March 2013 event on the ionosphere/thermosphere. The particle precipitation and electric field from RCM has been used to drive GITM. The conductance calculated from GITM has feedback to RCM to make the coupling to be self-consistent. The comparison of GITM simulations with different SAPS specifications will be conducted. The neutral wind from simulation will be compared with GOCE satellite. The comparison between runs with SAPS and without SAPS will separate the effect of SAPS from others and illustrate the impact on the TIDS/TADS propagating to both poleward and equatorward directions.
The Madden-Julian Oscillation in NCEP Coupled Model Simulation
Directory of Open Access Journals (Sweden)
Wanqiu Wang Kyong-Hwan Seo
2009-01-01
Full Text Available This study documents a detailed analysis on the Madden-Julian Oscillation (MJO simulated by the National Centers for Environmental Prediction (NCEP using the Global Forecast System (GFS model version 2003 coupled with the Climate Forecast System model (CFS consisting of the 2003 version of GFS and the Geophysical Fluid Dynamics Laboratory (GFDL Modular Ocean Model V.3 (MOM3. The analyses are based upon a 21-year simulation of AMIP-type with GFS and CMIP-type with CFS. It is found that air-sea coupling in CFS is shown to improve the coherence between convection and large-scale circulation associated with the MJO. The too fast propagation of convection from the Indian Ocean to the maritime continents and the western Pacific in GFS is improved (slowed down in CFS. Both GFS and CFS produce too strong intraseasonal convective heating and circulation anomalies in the central-eastern Pacific; further, the air-sea coupling in CFS enhances this unrealistic feature. The simulated mean slow phase speed of east ward propagating low-wavenumber components shown in the wavenumber-frequency spectra is due to the slow propagation in the central-eastern Pacific in both GFS and CFS. Errors in model climatology may have some effect upon the simulated MJO and two possible influences are: (i CFS fails to simulate the westerlies over maritime continents and western Pacific areas, resulting in an unrealistic representation of surface latent heat flux associated with the MJO; and (ii vertical easterly wind shear from the Indian Ocean to the western Pacific in CFS is much weaker than that in the observation and in GFS, which may adversely affect the eastward propagation of the simulated MJO.
HFSS Simulation on Cavity Coupling for Axion Detecting Experiment
Yeo, Beomki
2015-01-01
In the resonant cavity experiment, it is vital maximize signal power at detector with the minimized reflection from source. Return loss is minimized when the impedance of source and cavity are matched to each other and this is called impedance matching. Establishing tunable antenna on source is required to get a impedance matching. Geometry and position of antenna is varied depending on the electromagnetic eld of cavity. This research is dedicated to simulation to nd such a proper design of coupling antenna, especially for axion dark matter detecting experiment. HFSS solver was used for the simulation.
Wang, Guanglei; Xu, Hongya; Lai, Ying-Cheng
2018-03-01
We present a novel class of nonlinear dynamical systems-a hybrid of relativistic quantum and classical systems and demonstrate that multistability is ubiquitous. A representative setting is coupled systems of a topological insulator and an insulating ferromagnet, where the former possesses an insulating bulk with topologically protected, dissipationless, and conducting surface electronic states governed by the relativistic quantum Dirac Hamiltonian and the latter is described by the nonlinear classical evolution of its magnetization vector. The interactions between the two are essentially the spin transfer torque from the topological insulator to the ferromagnet and the local proximity induced exchange coupling in the opposite direction. The hybrid system exhibits a rich variety of nonlinear dynamical phenomena besides multistability such as bifurcations, chaos, and phase synchronization. The degree of multistability can be controlled by an external voltage. In the case of two coexisting states, the system is effectively binary, opening a door to exploitation for developing spintronic memory devices. Because of the dissipationless and spin-momentum locking nature of the surface currents of the topological insulator, little power is needed for generating a significant current, making the system appealing for potential applications in next generation of low power memory devices.
Emergence, evolution, and control of multistability in a hybrid topological quantum/classical system
Wang, Guanglei; Xu, Hongya; Lai, Ying-Cheng
2018-03-01
We present a novel class of nonlinear dynamical systems—a hybrid of relativistic quantum and classical systems and demonstrate that multistability is ubiquitous. A representative setting is coupled systems of a topological insulator and an insulating ferromagnet, where the former possesses an insulating bulk with topologically protected, dissipationless, and conducting surface electronic states governed by the relativistic quantum Dirac Hamiltonian and the latter is described by the nonlinear classical evolution of its magnetization vector. The interactions between the two are essentially the spin transfer torque from the topological insulator to the ferromagnet and the local proximity induced exchange coupling in the opposite direction. The hybrid system exhibits a rich variety of nonlinear dynamical phenomena besides multistability such as bifurcations, chaos, and phase synchronization. The degree of multistability can be controlled by an external voltage. In the case of two coexisting states, the system is effectively binary, opening a door to exploitation for developing spintronic memory devices. Because of the dissipationless and spin-momentum locking nature of the surface currents of the topological insulator, little power is needed for generating a significant current, making the system appealing for potential applications in next generation of low power memory devices.
Stabilization effect of fission source in coupled Monte Carlo simulations
Directory of Open Access Journals (Sweden)
Börge Olsen
2017-08-01
Full Text Available A fission source can act as a stabilization element in coupled Monte Carlo simulations. We have observed this while studying numerical instabilities in nonlinear steady-state simulations performed by a Monte Carlo criticality solver that is coupled to a xenon feedback solver via fixed-point iteration. While fixed-point iteration is known to be numerically unstable for some problems, resulting in large spatial oscillations of the neutron flux distribution, we show that it is possible to stabilize it by reducing the number of Monte Carlo criticality cycles simulated within each iteration step. While global convergence is ensured, development of any possible numerical instability is prevented by not allowing the fission source to converge fully within a single iteration step, which is achieved by setting a small number of criticality cycles per iteration step. Moreover, under these conditions, the fission source may converge even faster than in criticality calculations with no feedback, as we demonstrate in our numerical test simulations.
Parallelization of a Quantum-Classic Hybrid Model For Nanoscale Semiconductor Devices
Directory of Open Access Journals (Sweden)
Oscar Salas
2011-07-01
Full Text Available The expensive reengineering of the sequential software and the difficult parallel programming are two of the many technical and economic obstacles to the wide use of HPC. We investigate the chance to improve in a rapid way the performance of a numerical serial code for the simulation of the transport of a charged carriers in a Double-Gate MOSFET. We introduce the Drift-Diffusion-Schrödinger-Poisson (DDSP model and we study a rapid parallelization strategy of the numerical procedure on shared memory architectures.
Coupling atmospheric and ocean wave models for storm simulation
DEFF Research Database (Denmark)
Du, Jianting
the atmosphere must, by conservation, result in the generation of the surface waves and currents. The physics-based methods are sensitive to the choice of wind-input source function (Sin), parameterization of high-frequency wave spectra tail, and numerical cut-off frequencies. Unfortunately, literature survey......This thesis studies the wind-wave interactions through the coupling between the atmospheric model and ocean surface wave models. Special attention is put on storm simulations in the North Sea for wind energy applications in the coastal zones. The two aspects, namely storm conditions and coastal...... shows that in most wind-wave coupling systems, either the Sin in the wave model is different from the one used for the momentum flux estimation in the atmospheric model, or the methods are too sensitive to the parameterization of high-frequency spectra tail and numerical cut-off frequencies. To confront...
A Coupled Atmospheric and Wave Modeling System for Storm Simulations
DEFF Research Database (Denmark)
Du, Jianting; Larsén, Xiaoli Guo; Bolanos, R.
2015-01-01
to parametrize z0. The results are validated through QuikScat data and point measurements from an open ocean site Ekosk and a coastal, relatively shallow water site Horns Rev. It is found that the modeling system captures in general better strong wind and strong wave characteristics for open ocean condition than......This study aims at improving the simulation of wind and waves during storms in connection with wind turbine design and operations in coastal areas. For this particular purpose, we investigated the Coupled-Ocean-Atmosphere-Wave-Sediment Transport (COAWST) Modeling System which couples the Weather...... resolution ranging from 25km to 2km. Meanwhile, the atmospheric forcing data of dierent spatial resolution, with one about 100km (FNL) and the other about 38km (CFSR) are both used. In addition, bathymatry data of diferent resolutions (1arc-minute and 30arc-seconds) are used. We used three approaches...
Predicting SPE Fluxes: Coupled Simulations and Analysis Tools
Gorby, M.; Schwadron, N.; Linker, J.; Caplan, R. M.; Wijaya, J.; Downs, C.; Lionello, R.
2017-12-01
Presented here is a nuts-and-bolts look at the coupled framework of Predictive Science Inc's Magnetohydrodynamics Around a Sphere (MAS) code and the Energetic Particle Radiation Environment Module (EPREM). MAS simulated coronal mass ejection output from a variety of events can be selected as the MHD input to EPREM and a variety of parameters can be set to run against: bakground seed particle spectra, mean free path, perpendicular diffusion efficiency, etc.. A standard set of visualizations are produced as well as a library of analysis tools for deeper inquiries. All steps will be covered end-to-end as well as the framework's user interface and availability.
The Integrated Plasma Simulator: A Flexible Python Framework for Coupled Multiphysics Simulation
Energy Technology Data Exchange (ETDEWEB)
Foley, Samantha S [ORNL; Elwasif, Wael R [ORNL; Bernholdt, David E [ORNL
2011-11-01
High-fidelity coupled multiphysics simulations are an increasingly important aspect of computational science. In many domains, however, there has been very limited experience with simulations of this sort, therefore research in coupled multiphysics often requires computational frameworks with significant flexibility to respond to the changing directions of the physics and mathematics. This paper presents the Integrated Plasma Simulator (IPS), a framework designed for loosely coupled simulations of fusion plasmas. The IPS provides users with a simple component architecture into which a wide range of existing plasma physics codes can be inserted as components. Simulations can take advantage of multiple levels of parallelism supported in the IPS, and can be controlled by a high-level ``driver'' component, or by other coordination mechanisms, such as an asynchronous event service. We describe the requirements and design of the framework, and how they were implemented in the Python language. We also illustrate the flexibility of the framework by providing examples of different types of simulations that utilize various features of the IPS.
Coupled CFD - system-code simulation of a gas cooled reactor
International Nuclear Information System (INIS)
Yan, Yizhou; Rizwan-uddin
2011-01-01
A generic coupled CFD - system-code thermal hydraulic simulation approach was developed based on FLUENT and RELAP-3D, and applied to LWRs. The flexibility of the coupling methodology enables its application to advanced nuclear energy systems. Gas Turbine - Modular Helium Reactor (GT-MHR) is a Gen IV reactor design which can benefit from this innovative coupled simulation approach. Mixing in the lower plenum of the GT-MHR is investigated here using the CFD - system-code coupled simulation tool. Results of coupled simulations are presented and discussed. The potential of the coupled CFD - system-code approach for next generation of nuclear power plants is demonstrated. (author)
Equilibrium statistical mechanics of strongly coupled plasmas by numerical simulation
International Nuclear Information System (INIS)
DeWitt, H.E.
1977-01-01
Numerical experiments using the Monte Carlo method have led to systematic and accurate results for the thermodynamic properties of strongly coupled one-component plasmas and mixtures of two nuclear components. These talks are intended to summarize the results of Monte Carlo simulations from Paris and from Livermore. Simple analytic expressions for the equation of state and other thermodynamic functions have been obtained in which there is a clear distinction between a lattice-like static portion and a thermal portion. The thermal energy for the one-component plasma has a simple power dependence on temperature, (kT)/sup 3 / 4 /, that is identical to Monte Carlo results obtained for strongly coupled fluids governed by repulsive l/r/sup n/ potentials. For two-component plasmas the ion-sphere model is shown to accurately represent the static portion of the energy. Electron screening is included in the Monte Carlo simulations using linear response theory and the Lindhard dielectric function. Free energy expressions have been constructed for one and two component plasmas that allow easy computation of all thermodynamic functions
Fully Coupled Simulation of Lithium Ion Battery Cell Performance
Energy Technology Data Exchange (ETDEWEB)
Trembacki, Bradley L. [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Murthy, Jayathi Y. [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Roberts, Scott Alan [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)
2015-09-01
Lithium-ion battery particle-scale (non-porous electrode) simulations applied to resolved electrode geometries predict localized phenomena and can lead to better informed decisions on electrode design and manufacturing. This work develops and implements a fully-coupled finite volume methodology for the simulation of the electrochemical equations in a lithium-ion battery cell. The model implementation is used to investigate 3D battery electrode architectures that offer potential energy density and power density improvements over traditional layer-by-layer particle bed battery geometries. Advancement of micro-scale additive manufacturing techniques has made it possible to fabricate these 3D electrode microarchitectures. A variety of 3D battery electrode geometries are simulated and compared across various battery discharge rates and length scales in order to quantify performance trends and investigate geometrical factors that improve battery performance. The energy density and power density of the 3D battery microstructures are compared in several ways, including a uniform surface area to volume ratio comparison as well as a comparison requiring a minimum manufacturable feature size. Significant performance improvements over traditional particle bed electrode designs are observed, and electrode microarchitectures derived from minimal surfaces are shown to be superior. A reduced-order volume-averaged porous electrode theory formulation for these unique 3D batteries is also developed, allowing simulations on the full-battery scale. Electrode concentration gradients are modeled using the diffusion length method, and results for plate and cylinder electrode geometries are compared to particle-scale simulation results. Additionally, effective diffusion lengths that minimize error with respect to particle-scale results for gyroid and Schwarz P electrode microstructures are determined.
A Coupled Simulation Architecture for Agent-Based/Geohydrological Modelling
Jaxa-Rozen, M.
2016-12-01
The quantitative modelling of social-ecological systems can provide useful insights into the interplay between social and environmental processes, and their impact on emergent system dynamics. However, such models should acknowledge the complexity and uncertainty of both of the underlying subsystems. For instance, the agent-based models which are increasingly popular for groundwater management studies can be made more useful by directly accounting for the hydrological processes which drive environmental outcomes. Conversely, conventional environmental models can benefit from an agent-based depiction of the feedbacks and heuristics which influence the decisions of groundwater users. From this perspective, this work describes a Python-based software architecture which couples the popular NetLogo agent-based platform with the MODFLOW/SEAWAT geohydrological modelling environment. This approach enables users to implement agent-based models in NetLogo's user-friendly platform, while benefiting from the full capabilities of MODFLOW/SEAWAT packages or reusing existing geohydrological models. The software architecture is based on the pyNetLogo connector, which provides an interface between the NetLogo agent-based modelling software and the Python programming language. This functionality is then extended and combined with Python's object-oriented features, to design a simulation architecture which couples NetLogo with MODFLOW/SEAWAT through the FloPy library (Bakker et al., 2016). The Python programming language also provides access to a range of external packages which can be used for testing and analysing the coupled models, which is illustrated for an application of Aquifer Thermal Energy Storage (ATES).
Coupling methods for parallel running RELAPSim codes in nuclear power plant simulation
Energy Technology Data Exchange (ETDEWEB)
Li, Yankai; Lin, Meng, E-mail: linmeng@sjtu.edu.cn; Yang, Yanhua
2016-02-15
When the plant is modeled detailedly for high precision, it is hard to achieve real-time calculation for one single RELAP5 in a large-scale simulation. To improve the speed and ensure the precision of simulation at the same time, coupling methods for parallel running RELAPSim codes were proposed in this study. Explicit coupling method via coupling boundaries was realized based on a data-exchange and procedure-control environment. Compromise of synchronization frequency was well considered to improve the precision of simulation and guarantee the real-time simulation at the same time. The coupling methods were assessed using both single-phase flow models and two-phase flow models and good agreements were obtained between the splitting–coupling models and the integrated model. The mitigation of SGTR was performed as an integral application of the coupling models. A large-scope NPP simulator was developed adopting six splitting–coupling models of RELAPSim and other simulation codes. The coupling models could improve the speed of simulation significantly and make it possible for real-time calculation. In this paper, the coupling of the models in the engineering simulator is taken as an example to expound the coupling methods, i.e., coupling between parallel running RELAPSim codes, and coupling between RELAPSim code and other types of simulation codes. However, the coupling methods are also referable in other simulator, for example, a simulator employing ATHLETE instead of RELAP5, other logic code instead of SIMULINK. It is believed the coupling method is commonly used for NPP simulator regardless of the specific codes chosen in this paper.
Blanco, Joaquín. E.; Nolan, David S.; Mapes, Brian E.
2016-10-01
This second part of a two-part study uses Weather Research and Forecasting simulations with aquachannel and aquapatch domains to investigate the time evolution of convectively coupled Kelvin waves (CCKWs). Power spectra, filtering, and compositing are combined with object-tracking methods to assess the structure and phase speed propagation of CCKWs during their strengthening, mature, and decaying phases. In this regard, we introduce an innovative approach to more closely investigate the wave (Kelvin) versus entity (super cloud cluster or "SCC") dualism. In general, the composite CCKW structures represent a dynamical response to the organized convective activity. However, pressure and thermodynamic fields in the boundary layer behave differently. Further analysis of the time evolution of pressure and low-level moist static energy finds that these fields propagate eastward as a "moist" Kelvin wave (MKW), faster than the envelope of organized convection or SCC. When the separation is sufficiently large the SCC dissipates, and a new SCC generates to the east, in the region of strongest negative pressure perturbations. We revisit the concept itself of the "coupling" between convection and dynamics, and we also propose a conceptual model for CCKWs, with a clear distinction between the SCC and the MKW components.
A model for simulation of coupled microstructural and compositional evolution
International Nuclear Information System (INIS)
Tikare, Veena; Homer, Eric R.; Holm, Elizabeth A.
2011-01-01
The formation, transport and segregation of components in nuclear fuels fundamentally control their behavior, performance, longevity and safety. Most nuclear fuels enter service with a uniform composition consisting of a single phase with two or three components. Fission products form, introducing more components. The segregation and transport of the components is complicated by the underlying microstructure consisting of grains, pores, bubbles and more, which is evolving under temperature gradients during service. As they evolve, components and microstructural features interact such that composition affects microstructure and vice versa. The ability to predict the interdependent compositional and microstructural evolution in 3D as a function of burn-up would greatly improve the ability to design safe, high burn-up nuclear fuels. We present a model that combines elements of Potts Monte Carlo, MC, and the phase-field model to treat coupled microstructural-compositional evolution. This hybrid model uses an equation of state, EOS, based on the microstructural state and the composition. The microstructural portion uses the traditional MC EOS and the compositional portion uses the phase-field EOS: E hyb = N Σ i=1 (E v (q i ,C)+1/2 n Σ j=1 J(q i ,q j )) + ∫κ c (∇C) 2 dV. E v is the bulk free energy of each site i and J is the bond energy between neighboring sites i and j; thus, this term defines the microstructural interfacial energy. The last term is the compositional interfacial energy as defined in the traditional phase-field model. Evolution of coupled microstructure-composition is simulated by minimizing free energy in a path dependent manner. This model will be presented and will be demonstrated by applying it to evolution of nuclear fuels during service. (author)
International Nuclear Information System (INIS)
Bonhommeau, David; Truhlar, Donald G.
2008-01-01
The photodissociation dynamics of ammonia upon excitation of the out-of-plane bending mode (mode ν 2 with n 2 =0,...,6 quanta of vibration) in the A-tilde electronic state is investigated by means of several mixed quantum/classical methods, and the calculated final-state properties are compared to experiments. Five mixed quantum/classical methods are tested: one mean-field approach (the coherent switching with decay of mixing method), two surface-hopping methods [the fewest switches with time uncertainty (FSTU) and FSTU with stochastic decay (FSTU/SD) methods], and two surface-hopping methods with zero-point energy (ZPE) maintenance [the FSTU/SD+trajectory projection onto ZPE orbit (TRAPZ) and FSTU/SD+minimal TRAPZ (mTRAPZ) methods]. We found a qualitative difference between final NH 2 internal energy distributions obtained for n 2 =0 and n 2 >1, as observed in experiments. Distributions obtained for n 2 =1 present an intermediate behavior between distributions obtained for smaller and larger n 2 values. The dynamics is found to be highly electronically nonadiabatic with all these methods. NH 2 internal energy distributions may have a negative energy tail when the ZPE is not maintained throughout the dynamics. The original TRAPZ method was designed to maintain ZPE in classical trajectories, but we find that it leads to unphysically high internal vibrational energies. The mTRAPZ method, which is new in this work and provides a general method for maintaining ZPE in either single-surface or multisurface trajectories, does not lead to unphysical results and is much less time consuming. The effect of maintaining ZPE in mixed quantum/classical dynamics is discussed in terms of agreement with experimental findings. The dynamics for n 2 =0 and n 2 =6 are also analyzed to reveal details not available from experiment, in particular, the time required for quenching of electronic excitation and the adiabatic energy gap and geometry at the time of quenching
Semenov, Alexander; Dubernet, Marie-Lise; Babikov, Dmitri
2014-09-21
The mixed quantum/classical theory (MQCT) for inelastic molecule-atom scattering developed recently [A. Semenov and D. Babikov, J. Chem. Phys. 139, 174108 (2013)] is extended to treat a general case of an asymmetric-top-rotor molecule in the body-fixed reference frame. This complements a similar theory formulated in the space-fixed reference-frame [M. Ivanov, M.-L. Dubernet, and D. Babikov, J. Chem. Phys. 140, 134301 (2014)]. Here, the goal was to develop an approximate computationally affordable treatment of the rotationally inelastic scattering and apply it to H2O + He. We found that MQCT is somewhat less accurate at lower scattering energies. For example, below E = 1000 cm(-1) the typical errors in the values of inelastic scattering cross sections are on the order of 10%. However, at higher scattering energies MQCT method appears to be rather accurate. Thus, at scattering energies above 2000 cm(-1) the errors are consistently in the range of 1%-2%, which is basically our convergence criterion with respect to the number of trajectories. At these conditions our MQCT method remains computationally affordable. We found that computational cost of the fully-coupled MQCT calculations scales as n(2), where n is the number of channels. This is more favorable than the full-quantum inelastic scattering calculations that scale as n(3). Our conclusion is that for complex systems (heavy collision partners with many internal states) and at higher scattering energies MQCT may offer significant computational advantages.
Hourly simulation of a Ground-Coupled Heat Pump system
Naldi, C.; Zanchini, E.
2017-01-01
In this paper, we present a MATLAB code for the hourly simulation of a whole Ground-Coupled Heat Pump (GCHP) system, based on the g-functions previously obtained by Zanchini and Lazzari. The code applies both to on-off heat pumps and to inverter-driven ones. It is employed to analyse the effects of the inverter and of the total length of the Borehole Heat Exchanger (BHE) field on the mean seasonal COP (SCOP) and on the mean seasonal EER (SEER) of a GCHP system designed for a residential house with 6 apartments in Bologna, North-Center Italy, with dominant heating loads. A BHE field with 3 in line boreholes is considered, with length of each BHE either 75 m or 105 m. The results show that the increase of the BHE length yields a SCOP enhancement of about 7%, while the SEER remains nearly unchanged. The replacement of the on-off heat pump by an inverter-driven one yields a SCOP enhancement of about 30% and a SEER enhancement of about 50%. The results demonstrate the importance of employing inverter-driven heat pumps for GCHP systems.
Simulation of Octopus Arm Based on Coupled CPGs
Directory of Open Access Journals (Sweden)
Juan Tian
2015-01-01
Full Text Available The octopus arm has attracted many researchers’ interests and became a research hot spot because of its amazing features. Several dynamic models inspired by an octopus arm are presented to realize the structure with a large number of degrees of freedom. The octopus arm is made of a soft material introducing high-dimensionality, nonlinearity, and elasticity, which makes the octopus arm difficult to control. In this paper, three coupled central pattern generators (CPGs are built and a 2-dimensional dynamic model of the octopus arm is presented to explore possible strategies of the octopus movement control. And the CPGs’ signals treated as activation are added on the ventral, dorsal, and transversal sides, respectively. The effects of the octopus arm are discussed when the parameters of the CPGs are changed. Simulations show that the octopus arm movements are mainly determined by the shapes of three CPGs’ phase diagrams. Therefore, some locomotion modes are supposed to be embedded in the neuromuscular system of the octopus arm. And the octopus arm movements can be achieved by modulating the parameters of the CPGs. The results are beneficial for researchers to understand the octopus movement further.
AETHER: A simulation platform for inductively coupled plasma
Energy Technology Data Exchange (ETDEWEB)
Turkoz, Emre, E-mail: emre.turkoz@boun.edu.tr; Celik, Murat
2015-04-01
An in-house code is developed to simulate the inductively coupled plasma (ICP). The model comprises the fluid, electromagnetic and transformer submodels. Fluid equations are solved to evaluate the plasma flow parameters, including the plasma and neutral densities, ion and neutral velocities, electron flux, electron temperature, and electric potential. The model relies on the ambipolar approximation and offers the evaluation of plasma parameters without solving the sheath region. The electromagnetic model handles the calculation of the electric and magnetic fields using the magnetic vector potential. The transformer model captures the effect of the matching circuit utilized in laboratory experiments for RF power deposition. The continuity and momentum equations are solved using finite volume method. The energy, electric potential, and magnetic vector potential equations are solved using finite difference method. The resulting linear systems of equations are solved with iterative solvers including Jacobi and GMRES. The code is written using the C++ programming language, it works in parallel and has graphical user interface. The model is applied to study ICP characteristics of a plasma confined within a cylindrical chamber with dielectric walls for two different power deposition cases. The results obtained from the developed model are verified using the plasma module of COMSOL Multiphysics. The model is also applied to a plasma source configuration, and it is demonstrated that there is an overall increase in the plasma potential when current is extracted from ICP with a biased wall electrode.
Bao, Kai; Yan, Mi; Allen, Rebecca; Salama, Amgad; Lu, Ligang; Jordan, Kirk E.; Sun, Shuyu; Keyes, David E.
2015-01-01
The present work describes a parallel computational framework for carbon dioxide (CO2) sequestration simulation by coupling reservoir simulation and molecular dynamics (MD) on massively parallel high-performance-computing (HPC) systems
Implications of Lagrangian transport for coupled chemistry-climate simulations
Stenke, A.; Dameris, M.; Grewe, V.; Garny, H.
2008-10-01
For the first time a purely Lagrangian transport algorithm is applied in a fully coupled chemistry-climate model (CCM). We use the Lagrangian scheme ATTILA for the transport of water vapour, cloud water and chemical trace species in the ECHAM4.L39(DLR)/CHEM (E39C) CCM. The advantage of the Lagrangian approach is that it is numerically non-diffusive and therefore maintains steeper and more realistic gradients than the operational semi-Lagrangian transport scheme. In case of radiatively active species changes in the simulated distributions feed back to model dynamics which in turn affect the modelled transport. The implications of the Lagrangian transport scheme for stratospheric model dynamics and tracer distributions in the upgraded model version E39C-ATTILA (E39C-A) are evaluated by comparison with observations and results of the E39C model with the operational semi-Lagrangian advection scheme. We find that several deficiencies in stratospheric dynamics in E39C seem to originate from a pronounced modelled wet bias and an associated cold bias in the extra-tropical lowermost stratosphere. The reduction of the simulated moisture and temperature bias in E39C-A leads to a significant advancement of stratospheric dynamics in terms of the mean state as well as annual and interannual variability. As a consequence of the favourable numerical characteristics of the Lagrangian transport scheme and the improved model dynamics, E39C-A generally shows more realistic stratospheric tracer distributions: Compared to E39C high stratospheric chlorine (Cly) concentrations extend further downward and agree now well with analyses derived from observations. Therefore E39C-A realistically covers the altitude of maximum ozone depletion in the stratosphere. The location of the ozonopause, i.e. the transition from low tropospheric to high stratospheric ozone values, is also clearly improved in E39C-A. Furthermore, the simulated temporal evolution of stratospheric Cly in the past is
Quantum Simulations of Strongly Coupled Quark-Gluon Plasma
International Nuclear Information System (INIS)
Filinov, V.S.; Bonitz, M.; Ivanov, Yu.B.
2013-01-01
In recent years, there has been an increasing interest in dynamics and thermodynamics of non-Abelian plasmas at both very high temperature and density. It is expected that a specific state of matter with unconfined quarks and gluons - the so called quark - gluon plasma (QGP) - can exist. The most fundamental way to compute properties of the strongly interacting matter is provided by the lattice QCD. Interpretation of these very complicated computations requires application of various QCD motivated, albeit schematic, models simulating various aspects of the full theory. Moreover, such models are needed in cases when the lattice QCD fails, e.g. at large baryon chemical potentials and out of equilibrium. A semi-classical approximation, based on a point like quasi-particle picture has been recently introduced in literature. It is expected that it allows to treat soft processes in the QGP which are not accessible by the perturbative means and the main features of non-Abelian plasmas can be understood in simple semi-classical terms without the difficulties inherent to a full quantum field theoretical analysis. Here we propose stochastic simulation of thermodynamics and kinetic properties for QGP in semi-classical approximation in the wide region of temperature, density and quasi-particles masses. We extend previous classical nonrelativistic simulations based on a color Coulomb interaction to the quantum regime and take into account the Fermi (Bose) statistics of quarks (gluons) and quantum degeneracy self-consistently. In grand canonical ensemble for finite and zero baryon chemical potential we use the direct quantum path integral Monte Carlo method (PIMC) developed for finite temperature within Feynman formulation of quantum mechanics to do calculations of internal energy, pressure and pair correlation functions. The QGP quasi-particles representing dressed quarks, antiquarks and gluons interact via color quantum Kelbg pseudopotential rigorously derived in for Coulomb
Deficiency in Monte Carlo simulations of coupled neutron-gamma-ray fields
Maleka, Peane P.; Maucec, Marko; de Meijer, Robert J.
2011-01-01
The deficiency in Monte Carlo simulations of coupled neutron-gamma-ray field was investigated by benchmarking two simulation codes with experimental data. Simulations showed better correspondence with the experimental data for gamma-ray transport only. In simulations, the neutron interactions with
Bertolotti, M.; Symes, W.W.; Stoffer, Remco; Hiremath, K.R.; Driessen, A.; Michelotti, F; Hammer, Manfred
Analysis of integrated optical cylindrical microresonators involves the coupling between a straight waveguide and a bent waveguide. Our (2D) variant of coupled mode theory is based on analytically represented mode profiles. With the bend modes expressed in Cartesian coordinates, coupled mode
Challenges in coupled thermal-hydraulics and neutronics simulations for LWR safety analysis
International Nuclear Information System (INIS)
Ivanov, Kostadin; Avramova, Maria
2007-01-01
The simulation of nuclear power plant accident conditions requires three-dimensional (3D) modeling of the reactor core to ensure a realistic description of physical phenomena. The operational flexibility of Light Water Reactor (LWR) plants can be improved by utilizing accurate 3D coupled neutronics/thermal-hydraulics calculations for safety margins evaluations. There are certain requirements to the coupling of thermal-hydraulic system codes and neutron-kinetics codes that ought to be considered. The objective of these requirements is to provide accurate solutions in a reasonable amount of CPU time in coupled simulations of detailed operational transient and accident scenarios. These requirements are met by the development and implementation of six basic components of the coupling methodologies: ways of coupling (internal or external coupling); coupling approach (integration algorithm or parallel processing); spatial mesh overlays; coupled time-step algorithms; coupling numerics (explicit, semi-implicit and implicit schemes); and coupled convergence schemes. These principles of the coupled simulations are discussed in details along with the scientific issues associated with the development of appropriate neutron cross-section libraries for coupled code transient modeling. The current trends in LWR nuclear power generation and regulation as well as the design of next generation LWR reactor concepts along with the continuing computer technology progress stimulate further development of these coupled code systems. These efforts have been focused towards extending the analysis capabilities as well as refining the scale and level of detail of the coupling. This article analyses the coupled phenomena and modeling challenges on both global (assembly-wise) and local (pin-wise) levels. The issues related to the consistent qualification of coupled code systems as well as their application to different types of LWR transients are presented. Finally, the advances in numerical
Simulation of a SAGD well blowout using a reservoir-wellbore coupled simulator
Energy Technology Data Exchange (ETDEWEB)
Walter, J.; Vanegas, P.; Cunha, L.B. [Alberta Univ., Edmonton, AB (Canada); Worth, D.J. [C-FER Technologies, Edmonton, AB (Canada); Crepin, S. [Petrocedeno, Caracas (Venezuela)
2008-10-15
Single barrier completion systems are typically used in SAGD projects due to the lack of equipment suitable for high temperature SAGD downhole environments. This study used a wellbore and reservoir coupled thermal simulator tool to investigate the blowout behaviour of a steam assisted gravity drainage (SAGD) well pair when the safety barrier has failed. Fluid flow pressure drop through the wellbore and heat losses between the wellbore and the reservoir were modelled using a discretized wellbore option and a semi-analytical model. The fully coupled mechanistic model accounted for the simultaneous transient pressure and temperature variations along the wellbore and the reservoir. The simulations were used to predict flowing potential and fluid compositions of both wells in a SAGD well pair under various flowing conditions. Blowout scenarios were created for 3 different points in the well pair's life. Three flow paths during the blowout were evaluated for both the production and injection wells. Results of the study were used to conduct a comparative risk assessment between a double barrier and a single barrier completion. The modelling study confirmed that both the injection and production wells had the potential for blowouts lasting significant periods of time, with liquid rates over 50 times the normal production liquid rates. The model successfully predicted the blowout flow potential of the SAGD well pairs. 8 refs., 3 tabs., 18 figs.
Energy Technology Data Exchange (ETDEWEB)
S. R. Novascone; B. W. Spencer; D. Andrs; R. L. Williamson; J. D. Hales; D. M. Perez
2013-05-01
The behavior of nuclear fuel in the reactor environment is affected by multiple physics, most notably heat conduction and solid mechanics, which can have a strong influence on each other. To provide credible solutions, a fuel performance simulation code must have the ability to obtain solutions for each of the physics, including coupling between them. Solution strategies for solving systems of coupled equations can be categorized as loosely-coupled, where the individual physics are solved separately, keeping the solutions for the other physics fixed at each iteration, or tightly coupled, where the nonlinear solver simultaneously drives down the residual for each physics, taking into account the coupling between the physics in each nonlinear iteration. In this paper, we compare the performance of loosely and tightly coupled solution algorithms for thermomechanical problems involving coupled thermal and mechanical contact, which is a primary source of interdependence between thermal and mechanical solutions in fuel performance models. The results indicate that loosely-coupled simulations require significantly more nonlinear iterations, and may lead to convergence trouble when the thermal conductivity of the gap is too small. We also apply the tightly coupled solution strategy to a nuclear fuel simulation of an experiment in a test reactor. Studying the results from these simulations indicates that perhaps convergence for either approach may be problem dependent, i.e., there may be problems for which a loose coupled approach converges, where tightly coupled won’t converge and vice versa.
International Nuclear Information System (INIS)
Novascone, S. R.; Spencer, B. W.; Andrs, D.; Williamson, R. L.; Hales, J. D.; Perez, D. M.
2013-01-01
The behavior of nuclear fuel in the reactor environment is affected by multiple physics, most notably heat conduction and solid mechanics, which can have a strong influence on each other. To provide credible solutions, a fuel performance simulation code must have the ability to obtain solutions for each of the physics, including coupling between them. Solution strategies for solving systems of coupled equations can be categorized as loosely-coupled, where the individual physics are solved separately, keeping the solutions for the other physics fixed at each iteration, or tightly coupled, where the nonlinear solver simultaneously drives down the residual for each physics, taking into account the coupling between the physics in each nonlinear iteration. In this paper, we compare the performance of loosely and tightly coupled solution algorithms for thermomechanical problems involving coupled thermal and mechanical contact, which is a primary source of interdependence between thermal and mechanical solutions in fuel performance models. The results indicate that loosely-coupled simulations require significantly more nonlinear iterations, and may lead to convergence trouble when the thermal conductivity of the gap is too small. We also apply the tightly coupled solution strategy to a nuclear fuel simulation of an experiment in a test reactor. Studying the results from these simulations indicates that perhaps convergence for either approach may be problem dependent, i.e., there may be problems for which a loose coupled approach converges, where tightly coupled won't converge and vice versa. (authors)
Josse, P.; Caniaux, G.; Giordani, H.; Planton, S.
1999-04-01
A mesoscale non-hydrostatic atmospheric model has been coupled with a mesoscale oceanic model. The case study is a four-day simulation of a strong storm event observed during the SEMAPHORE experiment over a 500 × 500 km2 domain. This domain encompasses a thermohaline front associated with the Azores current. In order to analyze the effect of mesoscale coupling, three simulations are compared: the first one with the atmospheric model forced by realistic sea surface temperature analyses; the second one with the ocean model forced by atmospheric fields, derived from weather forecast re-analyses; the third one with the models being coupled. For these three simulations the surface fluxes were computed with the same bulk parametrization. All three simulations succeed well in representing the main oceanic or atmospheric features observed during the storm. Comparison of surface fields with in situ observations reveals that the winds of the fine mesh atmospheric model are more realistic than those of the weather forecast re-analyses. The low-level winds simulated with the atmospheric model in the forced and coupled simulations are appreciably stronger than the re-analyzed winds. They also generate stronger fluxes. The coupled simulation has the strongest surface heat fluxes: the difference in the net heat budget with the oceanic forced simulation reaches on average 50 Wm-2 over the simulation period. Sea surface-temperature cooling is too weak in both simulations, but is improved in the coupled run and matches better the cooling observed with drifters. The spatial distributions of sea surface-temperature cooling and surface fluxes are strongly inhomogeneous over the simulation domain. The amplitude of the flux variation is maximum in the coupled run. Moreover the weak correlation between the cooling and heat flux patterns indicates that the surface fluxes are not responsible for the whole cooling and suggests that the response of the ocean mixed layer to the atmosphere is
Bonhommeau, David; Truhlar, Donald G
2008-07-07
The photodissociation dynamics of ammonia upon excitation of the out-of-plane bending mode (mode nu(2) with n(2)=0,[ellipsis (horizontal)],6 quanta of vibration) in the A electronic state is investigated by means of several mixed quantum/classical methods, and the calculated final-state properties are compared to experiments. Five mixed quantum/classical methods are tested: one mean-field approach (the coherent switching with decay of mixing method), two surface-hopping methods [the fewest switches with time uncertainty (FSTU) and FSTU with stochastic decay (FSTU/SD) methods], and two surface-hopping methods with zero-point energy (ZPE) maintenance [the FSTUSD+trajectory projection onto ZPE orbit (TRAPZ) and FSTUSD+minimal TRAPZ (mTRAPZ) methods]. We found a qualitative difference between final NH(2) internal energy distributions obtained for n(2)=0 and n(2)>1, as observed in experiments. Distributions obtained for n(2)=1 present an intermediate behavior between distributions obtained for smaller and larger n(2) values. The dynamics is found to be highly electronically nonadiabatic with all these methods. NH(2) internal energy distributions may have a negative energy tail when the ZPE is not maintained throughout the dynamics. The original TRAPZ method was designed to maintain ZPE in classical trajectories, but we find that it leads to unphysically high internal vibrational energies. The mTRAPZ method, which is new in this work and provides a general method for maintaining ZPE in either single-surface or multisurface trajectories, does not lead to unphysical results and is much less time consuming. The effect of maintaining ZPE in mixed quantum/classical dynamics is discussed in terms of agreement with experimental findings. The dynamics for n(2)=0 and n(2)=6 are also analyzed to reveal details not available from experiment, in particular, the time required for quenching of electronic excitation and the adiabatic energy gap and geometry at the time of quenching.
Bonhommeau, David; Truhlar, Donald G.
2008-07-01
The photodissociation dynamics of ammonia upon excitation of the out-of-plane bending mode (mode ν2 with n2=0,…,6 quanta of vibration) in the Ã electronic state is investigated by means of several mixed quantum/classical methods, and the calculated final-state properties are compared to experiments. Five mixed quantum/classical methods are tested: one mean-field approach (the coherent switching with decay of mixing method), two surface-hopping methods [the fewest switches with time uncertainty (FSTU) and FSTU with stochastic decay (FSTU/SD) methods], and two surface-hopping methods with zero-point energy (ZPE) maintenance [the FSTU /SD+trajectory projection onto ZPE orbit (TRAPZ) and FSTU /SD+minimal TRAPZ (mTRAPZ) methods]. We found a qualitative difference between final NH2 internal energy distributions obtained for n2=0 and n2>1, as observed in experiments. Distributions obtained for n2=1 present an intermediate behavior between distributions obtained for smaller and larger n2 values. The dynamics is found to be highly electronically nonadiabatic with all these methods. NH2 internal energy distributions may have a negative energy tail when the ZPE is not maintained throughout the dynamics. The original TRAPZ method was designed to maintain ZPE in classical trajectories, but we find that it leads to unphysically high internal vibrational energies. The mTRAPZ method, which is new in this work and provides a general method for maintaining ZPE in either single-surface or multisurface trajectories, does not lead to unphysical results and is much less time consuming. The effect of maintaining ZPE in mixed quantum/classical dynamics is discussed in terms of agreement with experimental findings. The dynamics for n2=0 and n2=6 are also analyzed to reveal details not available from experiment, in particular, the time required for quenching of electronic excitation and the adiabatic energy gap and geometry at the time of quenching.
The simulation of electrostatic coupling intra-body communication based on the finite-element method
Institute of Scientific and Technical Information of China (English)
Song Yong; Zhang Kai; Yang Guang; Zhu Kang; Hao Qun
2011-01-01
In this paper, investigation has been done in the computer simulation of the electrostatic coupling IBC by using the developed finite-element models, in which a. the incidence and reflection of electronic signal in the upper arm model were analyzed by using the theory of electromagnetic wave; b. the finite-element models of electrostatic coupling IBC were developed by using the electromagnetic analysis package of ANSYS software; c. the signal attenuation of electrostatic coupling IBC were simulated under the conditions of different signal frequencies, electrodes directions, electrodes sizes and transmission distances. Finally, some important conclusions are deduced on the basis of simulation results.
Event-driven simulation of neural population synchronization facilitated by electrical coupling.
Carrillo, Richard R; Ros, Eduardo; Barbour, Boris; Boucheny, Christian; Coenen, Olivier
2007-02-01
Most neural communication and processing tasks are driven by spikes. This has enabled the application of the event-driven simulation schemes. However the simulation of spiking neural networks based on complex models that cannot be simplified to analytical expressions (requiring numerical calculation) is very time consuming. Here we describe briefly an event-driven simulation scheme that uses pre-calculated table-based neuron characterizations to avoid numerical calculations during a network simulation, allowing the simulation of large-scale neural systems. More concretely we explain how electrical coupling can be simulated efficiently within this computation scheme, reproducing synchronization processes observed in detailed simulations of neural populations.
Coupled model simulations of twentieth century climate of the Indian ...
Indian Academy of Sciences (India)
models showed serious problems in simulating the northward seasonal migration of the Inter- tropical convergence zone (ITCZ) into the Indian landmass. They have also shown .... state-of-the-art AGCMs when forced by observed. SST are unable to simulate properly Asian–Pacific summer monsoon rainfall. In their analysis ...
Coupled latent differential equation with moderators: simulation and application.
Hu, Yueqin; Boker, Steve; Neale, Michael; Klump, Kelly L
2014-03-01
Latent differential equations (LDE) use differential equations to analyze time series data. Because of the recent development of this technique, some issues critical to running an LDE model remain. In this article, the authors provide solutions to some of these issues and recommend a step-by-step procedure demonstrated on a set of empirical data, which models the interaction between ovarian hormone cycles and emotional eating. Results indicated that emotional eating is self-regulated. For instance, when people do more emotional eating than normal, they will subsequently tend to decrease their emotional eating behavior. In addition, a sudden increase will produce a stronger tendency to decrease than will a slow increase. We also found that emotional eating is coupled with the cycle of the ovarian hormone estradiol, and the peak of emotional eating occurs after the peak of estradiol. The self-reported average level of negative affect moderates the frequency of eating regulation and the coupling strength between eating and estradiol. Thus, people with a higher average level of negative affect tend to fluctuate faster in emotional eating, and their eating behavior is more strongly coupled with the hormone estradiol. Permutation tests on these empirical data supported the reliability of using LDE models to detect self-regulation and a coupling effect between two regulatory behaviors. (c) 2014 APA, all rights reserved.
A PC-Based Tool for Coupled CFD and CSD Simulation of Blast-Barrier Responses
National Research Council Canada - National Science Library
Chen, Zen; Bewick, Bryan; Salim, Hani A; Kiger, Sam A; Dinan, Robert J; Hu, Wenquin
2006-01-01
... for predicting the responses of a blast barrier. An axisymmetrical model is formulated using a coupled CFD and CSD simulation procedure designed via the Material Point Method in spatial discretization...
Efficient frequency-transient co-simulation of coupled heat-electromagnetic problems
Kaufmann, C.; Günther, M.; Klagges, D.; Knorrenschild, M.; Richwin, M.; Schöps, S.; Maten, ter E.J.W.
2014-01-01
Background With the recent advent of inductive charging systems all major automotive manufacturers develop concepts to wirelessly charge electric vehicles. Efficient designs require virtual prototyping that accounts for electromagnetic and thermal fields. The coupled simulations can be
NUMERICAL SIMULATIONS FOR THE CASE OF RIGID ROTATING KINEMATIC COUPLING WITH BIG CLEARANCE
Directory of Open Access Journals (Sweden)
Jan-Cristian GRIGORE
2010-10-01
Full Text Available In this paper an algorithm based on [1] [2] are numerical simulations, achieving generalized coordinates of motion, positions, speeds of a rigid rotating kinematic coupling with big clearance in joint, case without friction
Comparing internal and external run-time coupling of CFD and building energy simulation software
Djunaedy, E.; Hensen, J.L.M.; Loomans, M.G.L.C.
2004-01-01
This paper describes a comparison between internal and external run-time coupling of CFD and building energy simulation software. Internal coupling can be seen as the "traditional" way of developing software, i.e. the capabilities of existing software are expanded by merging codes. With external
Hydrodynamically Coupled Brownian Dynamics simulations for flow on non-Newtonian fluids
Ahuja, Vishal Raju
2018-01-01
This thesis deals with model development for particle-based flow simulations of non-Newtonian fluids such as polymer solutions. A novel computational technique called Hydrodynamically Coupled Brownian Dynamics (HCBD) is presented in this thesis. This technique essentially couples the Brownian motion
Kinematic and dynamic simulation of the functioning of torsionally flexible metal coupling
Directory of Open Access Journals (Sweden)
Krzysztof FILIPOWICZ
2010-01-01
Full Text Available The article presents the process of visualization and the accuracy of performance of the prototype of bidirectional torsionally flexible metal coupling using Autodesk® Inventor® Professional 2009. Selected figures from the simulations are presented and discussed on the basis of a virtual model of the coupling.
Simulation of Octopus Arm Based on Coupled CPGs
Juan Tian; Qiang Lu
2015-01-01
The octopus arm has attracted many researchers’ interests and became a research hot spot because of its amazing features. Several dynamic models inspired by an octopus arm are presented to realize the structure with a large number of degrees of freedom. The octopus arm is made of a soft material introducing high-dimensionality, nonlinearity, and elasticity, which makes the octopus arm difficult to control. In this paper, three coupled central pattern generators (CPGs) are built and a 2-dimens...
Finite-element simulations of coupling capacitances in capacitively coupled pixel detectors
AUTHOR|(SzGeCERN)755510
2017-01-01
Capacitively coupled hybrid silicon pixel-detector assemblies are under study for the vertex detector at the proposed future CLIC linear electron-positron collider. The assemblies consist of active CCPDv3 sensors, with 25 μm pixel pitch implemented in a 180 nm High- Voltage CMOS process, which are glued to the CLICpix readout ASIC, with the same pixel pitch and processed in a commercial 65 nm CMOS technology. The signal created in the silicon bulk of the active sensors passes a two-stage amplifier, in each pixel, and gets transferred as a voltage pulse to metal pads facing the readout chip (ROC). The coupling of the signal to the metal pads on the ROC side proceeds through the capacitors formed between the two chips by a thin layer of epoxy glue. The coupling strength and the amount of unwanted cross coupling to neighbouring pixels depends critically on the uniformity of the glue layer, its thickness and on the alignment precision during the flip-chip assembly process. Finite-element calculations of the coup...
Tightly coupled simulation of nuclear reactor transients with artificial intelligence
International Nuclear Information System (INIS)
Makowitz, H.; Ragheb, M.; Laats, E.T.; Bray, M.A.
1985-01-01
The authors' current efforts are directed toward exploring new avenues of research in simulation of nuclear reactor kinetics transients with artificial intelligence (AI). Being examined are advanced graphics systems such as the Nuclear Plant Analyzer designed to run in parallel with the RELAP5 code, faster than real-time best-estimate simulations, the utilization of the multi-CPU super computers, and simulation as knowledge by attempting to develop new assessment methodologies for artificial intelligence systems and their associated interfaces. This new and fertile area of research should be viewed by the educational and university community as an indication of the future possibilities for AI developments in a number of academic and engineering disciplines
Corre , Samuel; Belmiloudi , Aziz
2016-01-01
International audience; In this work, a modified coupling Lattice Boltzmann Model (LBM) in simulation of cardiac electrophysiology is developed in order to capture the detailed activities of macro- to micro-scale transport processes. The propagation of electrical activity in the human heart through torso is mathematically modeled by bidomain type systems. As transmembrane potential evolves, we take into account domain anisotropical properties using intracellular and extracellular conductivity...
Elastoplastic simulation coupled to the induced anisotropic damage for argilites
International Nuclear Information System (INIS)
Chiarelli, A.S.; Shao, J.F.
2002-01-01
A constitutive model coupling plastic deformation and induced damage is proposed to describe the mechanical behaviour of a shale rock, the argilites of East. The plastic behaviour is produced by a typical cohesive-frictional model. The material damage is represented by a second rank symmetric tensor. The damage criterion and evolution rate is related to tensile strains. The damage effect on plastic flow is also considered by an anisotropic transformation. The model formulation and a simple procedure for the determination of model parameters from standards tests is proposed. The validity of the model is checked against experimental data in various loading conditions. (author)
A strong coupling simulation of Euclidean quantum gravity
International Nuclear Information System (INIS)
Berg, B.; Hamburg Univ.
1984-12-01
Relying on Regge calculus a systematic numerical investigation of models of 4d Euclidean gravity is proposed. The scale a = 1 0 is set by fixing the expectation value of a length. Possible universality of such models is discussed. The strong coupling limit is defined by taking Planck mass msub(p) -> 0 (in units of 1 0 -1 ). The zero order approximation msub(p) = 0 is called 'fluctuating space' and investigated numerically in two 4d models. Canonical dimensions are realized and both models give a negative expectation value for the scalar curvature density. (orig.)
Coupling a fluid flow simulation with a geomechanical model of a fractured reservoir
Segura Segarra, José María; Paz, C.M.; de Bayser, M.; Zhang, J.; Bryant, P.W.; Gonzalez, Nubia Aurora; Rodrigues, E.; Vargas, P.E.; Carol, Ignacio; Lakshmikantha, Ramasesha Mookanahallipatna; Das, K. C.; Sandha, S.S.; Cerqueira, R.; Mello,, U.
2013-01-01
Improving the reliability of integrated reservoir development planning and addressing subsidence, fault reactivation and other environmental impacts, requires increasingly sophisticated geomechanical models, especially in the case of fractured reservoirs where fracture deformation is strongly coupled with its permeability change. Reservoir simulation has historically treated any geomechanical effects by means of a rock compressibility term/table, which can be improved by simulating the actual...
A tree-parenchyma coupled model for lung ventilation simulation.
Pozin, Nicolas; Montesantos, Spyridon; Katz, Ira; Pichelin, Marine; Vignon-Clementel, Irene; Grandmont, Céline
2017-11-01
In this article, we develop a lung ventilation model. The parenchyma is described as an elastic homogenized media. It is irrigated by a space-filling dyadic resistive pipe network, which represents the tracheobronchial tree. In this model, the tree and the parenchyma are strongly coupled. The tree induces an extra viscous term in the system constitutive relation, which leads, in the finite element framework, to a full matrix. We consider an efficient algorithm that takes advantage of the tree structure to enable a fast matrix-vector product computation. This framework can be used to model both free and mechanically induced respiration, in health and disease. Patient-specific lung geometries acquired from computed tomography scans are considered. Realistic Dirichlet boundary conditions can be deduced from surface registration on computed tomography images. The model is compared to a more classical exit compartment approach. Results illustrate the coupling between the tree and the parenchyma, at global and regional levels, and how conditions for the purely 0D model can be inferred. Different types of boundary conditions are tested, including a nonlinear Robin model of the surrounding lung structures. Copyright © 2017 John Wiley & Sons, Ltd.
Directory of Open Access Journals (Sweden)
P. Josse
1999-04-01
Full Text Available A mesoscale non-hydrostatic atmospheric model has been coupled with a mesoscale oceanic model. The case study is a four-day simulation of a strong storm event observed during the SEMAPHORE experiment over a 500 × 500 km2 domain. This domain encompasses a thermohaline front associated with the Azores current. In order to analyze the effect of mesoscale coupling, three simulations are compared: the first one with the atmospheric model forced by realistic sea surface temperature analyses; the second one with the ocean model forced by atmospheric fields, derived from weather forecast re-analyses; the third one with the models being coupled. For these three simulations the surface fluxes were computed with the same bulk parametrization. All three simulations succeed well in representing the main oceanic or atmospheric features observed during the storm. Comparison of surface fields with in situ observations reveals that the winds of the fine mesh atmospheric model are more realistic than those of the weather forecast re-analyses. The low-level winds simulated with the atmospheric model in the forced and coupled simulations are appreciably stronger than the re-analyzed winds. They also generate stronger fluxes. The coupled simulation has the strongest surface heat fluxes: the difference in the net heat budget with the oceanic forced simulation reaches on average 50 Wm-2 over the simulation period. Sea surface-temperature cooling is too weak in both simulations, but is improved in the coupled run and matches better the cooling observed with drifters. The spatial distributions of sea surface-temperature cooling and surface fluxes are strongly inhomogeneous over the simulation domain. The amplitude of the flux variation is maximum in the coupled run. Moreover the weak correlation between the cooling and heat flux patterns indicates that the surface fluxes are not responsible for the whole cooling and suggests that the response of the ocean mixed layer
Directory of Open Access Journals (Sweden)
H. Giordani
Full Text Available A mesoscale non-hydrostatic atmospheric model has been coupled with a mesoscale oceanic model. The case study is a four-day simulation of a strong storm event observed during the SEMAPHORE experiment over a 500 × 500 km2 domain. This domain encompasses a thermohaline front associated with the Azores current. In order to analyze the effect of mesoscale coupling, three simulations are compared: the first one with the atmospheric model forced by realistic sea surface temperature analyses; the second one with the ocean model forced by atmospheric fields, derived from weather forecast re-analyses; the third one with the models being coupled. For these three simulations the surface fluxes were computed with the same bulk parametrization. All three simulations succeed well in representing the main oceanic or atmospheric features observed during the storm. Comparison of surface fields with in situ observations reveals that the winds of the fine mesh atmospheric model are more realistic than those of the weather forecast re-analyses. The low-level winds simulated with the atmospheric model in the forced and coupled simulations are appreciably stronger than the re-analyzed winds. They also generate stronger fluxes. The coupled simulation has the strongest surface heat fluxes: the difference in the net heat budget with the oceanic forced simulation reaches on average 50 Wm-2 over the simulation period. Sea surface-temperature cooling is too weak in both simulations, but is improved in the coupled run and matches better the cooling observed with drifters. The spatial distributions of sea surface-temperature cooling and surface fluxes are strongly inhomogeneous over the simulation domain. The amplitude of the flux variation is maximum in the coupled run. Moreover the weak correlation between the cooling and heat flux patterns indicates that the surface fluxes are not responsible for the whole cooling and suggests that the response of the ocean mixed layer
Analog quantum simulation of the Rabi model in the ultra-strong coupling regime.
Braumüller, Jochen; Marthaler, Michael; Schneider, Andre; Stehli, Alexander; Rotzinger, Hannes; Weides, Martin; Ustinov, Alexey V
2017-10-03
The quantum Rabi model describes the fundamental mechanism of light-matter interaction. It consists of a two-level atom or qubit coupled to a quantized harmonic mode via a transversal interaction. In the weak coupling regime, it reduces to the well-known Jaynes-Cummings model by applying a rotating wave approximation. The rotating wave approximation breaks down in the ultra-strong coupling regime, where the effective coupling strength g is comparable to the energy ω of the bosonic mode, and remarkable features in the system dynamics are revealed. Here we demonstrate an analog quantum simulation of an effective quantum Rabi model in the ultra-strong coupling regime, achieving a relative coupling ratio of g/ω ~ 0.6. The quantum hardware of the simulator is a superconducting circuit embedded in a cQED setup. We observe fast and periodic quantum state collapses and revivals of the initial qubit state, being the most distinct signature of the synthesized model.An analog quantum simulation scheme has been explored with a quantum hardware based on a superconducting circuit. Here the authors investigate the time evolution of the quantum Rabi model at ultra-strong coupling conditions, which is synthesized by slowing down the system dynamics in an effective frame.
Prasad, K.
2017-12-01
Atmospheric transport is usually performed with weather models, e.g., the Weather Research and Forecasting (WRF) model that employs a parameterized turbulence model and does not resolve the fine scale dynamics generated by the flow around buildings and features comprising a large city. The NIST Fire Dynamics Simulator (FDS) is a computational fluid dynamics model that utilizes large eddy simulation methods to model flow around buildings at length scales much smaller than is practical with models like WRF. FDS has the potential to evaluate the impact of complex topography on near-field dispersion and mixing that is difficult to simulate with a mesoscale atmospheric model. A methodology has been developed to couple the FDS model with WRF mesoscale transport models. The coupling is based on nudging the FDS flow field towards that computed by WRF, and is currently limited to one way coupling performed in an off-line mode. This approach allows the FDS model to operate as a sub-grid scale model with in a WRF simulation. To test and validate the coupled FDS - WRF model, the methane leak from the Aliso Canyon underground storage facility was simulated. Large eddy simulations were performed over the complex topography of various natural gas storage facilities including Aliso Canyon, Honor Rancho and MacDonald Island at 10 m horizontal and vertical resolution. The goal of these simulations included improving and validating transport models as well as testing leak hypotheses. Forward simulation results were compared with aircraft and tower based in-situ measurements as well as methane plumes observed using the NASA Airborne Visible InfraRed Imaging Spectrometer (AVIRIS) and the next generation instrument AVIRIS-NG. Comparison of simulation results with measurement data demonstrate the capability of the coupled FDS-WRF models to accurately simulate the transport and dispersion of methane plumes over urban domains. Simulated integrated methane enhancements will be presented and
International Nuclear Information System (INIS)
Kang, Hongbo; Zhang, Yuwen; Yang, Mo; Li, Ling
2012-01-01
The intent of this study is to examine nonequilibrium heat transfer in a copper–argon nanofluid by molecular dynamics simulation. Two different methods, the physical definition method and the curve fitting method, are introduced to calculate the coupling factor between nanoparticles and base fluid. The results show that the coupling factors obtained by these two methods are consistent. The coupling factor is proportional to the volume fraction of the nanoparticle and inversely proportional to nanoparticle diameter. In the temperature range of 90–200 K, the coupling factor is not affected by temperature. The nanoparticle aggregation results in a decrease of the coupling factor. -- Highlights: ► Nonequilibrium heat transfer in a copper–argon nanofluid is investigated by molecular dynamics simulation. ► The coupling factor is proportion to the volume fraction of the nanoparticle and inverse proportion to nanoparticle diameter. ► In the temperature range of 90–200 K, there is no temperature effect on the coupling factor. ► The nanoparticle aggregation results in a decrease of the coupling factor.
Multiscale Simulation Framework for Coupled Fluid Flow and Mechanical Deformation
Energy Technology Data Exchange (ETDEWEB)
Hou, Thomas [California Inst. of Technology (CalTech), Pasadena, CA (United States); Efendiev, Yalchin [Stanford Univ., CA (United States); Tchelepi, Hamdi [Texas A & M Univ., College Station, TX (United States); Durlofsky, Louis [Stanford Univ., CA (United States)
2016-05-24
Our work in this project is aimed at making fundamental advances in multiscale methods for flow and transport in highly heterogeneous porous media. The main thrust of this research is to develop a systematic multiscale analysis and efficient coarse-scale models that can capture global effects and extend existing multiscale approaches to problems with additional physics and uncertainties. A key emphasis is on problems without an apparent scale separation. Multiscale solution methods are currently under active investigation for the simulation of subsurface flow in heterogeneous formations. These procedures capture the effects of fine-scale permeability variations through the calculation of specialized coarse-scale basis functions. Most of the multiscale techniques presented to date employ localization approximations in the calculation of these basis functions. For some highly correlated (e.g., channelized) formations, however, global effects are important and these may need to be incorporated into the multiscale basis functions. Other challenging issues facing multiscale simulations are the extension of existing multiscale techniques to problems with additional physics, such as compressibility, capillary effects, etc. In our project, we explore the improvement of multiscale methods through the incorporation of additional (single-phase flow) information and the development of a general multiscale framework for flows in the presence of uncertainties, compressible flow and heterogeneous transport, and geomechanics. We have considered (1) adaptive local-global multiscale methods, (2) multiscale methods for the transport equation, (3) operator-based multiscale methods and solvers, (4) multiscale methods in the presence of uncertainties and applications, (5) multiscale finite element methods for high contrast porous media and their generalizations, and (6) multiscale methods for geomechanics.
Numerical simulation of the two-phase flows in a hydraulic coupling by solving VOF model
International Nuclear Information System (INIS)
Luo, Y; Zuo, Z G; Liu, S H; Fan, H G; Zhuge, W L
2013-01-01
The flow in a partially filled hydraulic coupling is essentially a gas-liquid two-phase flow, in which the distribution of two phases has significant influence on its characteristics. The interfaces between the air and the liquid, and the circulating flows inside the hydraulic coupling can be simulated by solving the VOF two-phase model. In this paper, PISO algorithm and RNG k–ε turbulence model were employed to simulate the phase distribution and the flow field in a hydraulic coupling with 80% liquid fill. The results indicate that the flow forms a circulating movement on the torus section with decreasing speed ratio. In the pump impeller, the air phase mostly accumulates on the suction side of the blades, while liquid on the pressure side; in turbine runner, air locates in the middle of the flow passage. Flow separations appear near the blades and the enclosing boundaries of the hydraulic coupling
Acceleration of coupled granular flow and fluid flow simulations in pebble bed energy systems
International Nuclear Information System (INIS)
Li, Yanheng; Ji, Wei
2013-01-01
Highlights: ► Fast simulation of coupled pebble flow and coolant flow in PBR systems is studied. ► Dimension reduction based on axisymmetric geometry shows significant speedup. ► Relaxation of coupling frequency is investigated and an optimal range is determined. ► A total of 80% efficiency increase is achieved by the two fast strategies. ► Fast strategies can be applied to simulating other general fluidized bed systems. -- Abstract: Fast and accurate approaches to simulating the coupled particle flow and fluid flow are of importance to the analysis of large particle-fluid systems. This is especially needed when one tries to simulate pebble flow and coolant flow in Pebble Bed Reactor (PBR) energy systems on a routine basis. As one of the Generation IV designs, the PBR design is a promising nuclear energy system with high fuel performance and inherent safety. A typical PBR core can be modeled as a particle-fluid system with strong interactions among pebbles, coolants and reactor walls. In previous works, the coupled Discrete Element Method (DEM)-Computational Fluid Dynamics (CFD) approach has been investigated and applied to modeling PBR systems. However, the DEM-CFD approach is computationally expensive due to large amounts of pebbles in PBR systems. This greatly restricts the PBR analysis for the real time prediction and inclusion of more physics. In this work, based on the symmetry of the PBR geometry and the slow motion characteristics of the pebble flow, two acceleration strategies are proposed. First, a simplified 3D-DEM/2D-CFD approach is proposed to speed up the DEM-CFD simulation without loss of accuracy. Pebble flow is simulated by a full 3D DEM, while the coolant flow field is calculated with a 2D CFD simulation by averaging variables along the annular direction in the cylindrical and annular geometries. Second, based on the slow motion of pebble flow, the impact of the coupling frequency on the computation accuracy and efficiency is
Acceleration of coupled granular flow and fluid flow simulations in pebble bed energy systems
Energy Technology Data Exchange (ETDEWEB)
Li, Yanheng, E-mail: liy19@rpi.edu [Department of Mechanical, Aerospace, and Nuclear Engineering, Rensselaer Polytechnic Institute, 110 8th Street, Troy, NY (United States); Ji, Wei, E-mail: jiw2@rpi.edu [Department of Mechanical, Aerospace, and Nuclear Engineering, Rensselaer Polytechnic Institute, 110 8th Street, Troy, NY (United States)
2013-05-15
Highlights: ► Fast simulation of coupled pebble flow and coolant flow in PBR systems is studied. ► Dimension reduction based on axisymmetric geometry shows significant speedup. ► Relaxation of coupling frequency is investigated and an optimal range is determined. ► A total of 80% efficiency increase is achieved by the two fast strategies. ► Fast strategies can be applied to simulating other general fluidized bed systems. -- Abstract: Fast and accurate approaches to simulating the coupled particle flow and fluid flow are of importance to the analysis of large particle-fluid systems. This is especially needed when one tries to simulate pebble flow and coolant flow in Pebble Bed Reactor (PBR) energy systems on a routine basis. As one of the Generation IV designs, the PBR design is a promising nuclear energy system with high fuel performance and inherent safety. A typical PBR core can be modeled as a particle-fluid system with strong interactions among pebbles, coolants and reactor walls. In previous works, the coupled Discrete Element Method (DEM)-Computational Fluid Dynamics (CFD) approach has been investigated and applied to modeling PBR systems. However, the DEM-CFD approach is computationally expensive due to large amounts of pebbles in PBR systems. This greatly restricts the PBR analysis for the real time prediction and inclusion of more physics. In this work, based on the symmetry of the PBR geometry and the slow motion characteristics of the pebble flow, two acceleration strategies are proposed. First, a simplified 3D-DEM/2D-CFD approach is proposed to speed up the DEM-CFD simulation without loss of accuracy. Pebble flow is simulated by a full 3D DEM, while the coolant flow field is calculated with a 2D CFD simulation by averaging variables along the annular direction in the cylindrical and annular geometries. Second, based on the slow motion of pebble flow, the impact of the coupling frequency on the computation accuracy and efficiency is
Simulation of synaptic coupling of neuron-like generators via a memristive device
Gerasimova, S. A.; Mikhaylov, A. N.; Belov, A. I.; Korolev, D. S.; Gorshkov, O. N.; Kazantsev, V. B.
2017-08-01
A physical model of synaptically coupled neuron-like generators interacting via a memristive device has been presented. The model simulates the synaptic transmission of pulsed signals between brain neurons. The action on the receiving generator has been performed via a memristive device that demonstrates adaptive behavior. It has been established that the proposed coupling channel provides the forced synchronization with the parameters depending on the memristive device sensitivity. Synchronization modes 1: 1 and 2: 1 have been experimentally observed.
Simulation of circularly polarized luminescence spectra using coupled cluster theory
Energy Technology Data Exchange (ETDEWEB)
McAlexander, Harley R.; Crawford, T. Daniel, E-mail: crawdad@vt.edu [Department of Chemistry, Virginia Tech, Blacksburg, Virginia 24061 (United States)
2015-04-21
We report the first computations of circularly polarized luminescence (CPL) rotatory strengths at the equation-of-motion coupled cluster singles and doubles (EOM-CCSD) level of theory. Using a test set of eight chiral ketones, we compare both dipole and rotatory strengths for absorption (electronic circular dichroism) and emission to the results from time-dependent density-functional theory (TD-DFT) and available experimental data for both valence and Rydberg transitions. For two of the compounds, we obtained optimized geometries of the lowest several excited states using both EOM-CCSD and TD-DFT and determined that structures and EOM-CCSD transition properties obtained with each structure were sufficiently similar that TD-DFT optimizations were acceptable for the remaining test cases. Agreement between EOM-CCSD and the Becke three-parameter exchange function and Lee-Yang-Parr correlation functional (B3LYP) corrected using the Coulomb attenuating method (CAM-B3LYP) is typically good for most of the transitions, though agreement with the uncorrected B3LYP functional is significantly worse for all reported properties. The choice of length vs. velocity representation of the electric dipole operator has little impact on the EOM-CCSD transition strengths for nearly all of the states we examined. For a pair of closely related β, γ-enones, (1R)-7-methylenebicyclo[2.2.1]heptan-2-one and (1S)-2-methylenebicyclo[2.2.1]heptan-7-one, we find that EOM-CCSD and CAM-B3LYP agree with the energetic ordering of the two possible excited-state conformations, resulting in good agreement with experimental rotatory strengths in both absorption and emission, whereas B3LYP yields a qualitatively incorrect result for the CPL signal of (1S)-2-methylenebicyclo[2.2.1]heptan-7-one. Finally, we predict that one of the compounds considered here, trans-bicyclo[3.3.0]octane-3,7-dione, is unique in that it exhibits an achiral ground state and a chiral first excited state, leading to a strong CPL
An approach for coupled-code multiphysics core simulations from a common input
International Nuclear Information System (INIS)
Schmidt, Rodney; Belcourt, Kenneth; Hooper, Russell; Pawlowski, Roger; Clarno, Kevin; Simunovic, Srdjan; Slattery, Stuart; Turner, John; Palmtag, Scott
2015-01-01
Highlights: • We describe an approach for coupled-code multiphysics reactor core simulations. • The approach can enable tight coupling of distinct physics codes with a common input. • Multi-code multiphysics coupling and parallel data transfer issues are explained. • The common input approach and how the information is processed is described. • Capabilities are demonstrated on an eigenvalue and power distribution calculation. - Abstract: This paper describes an approach for coupled-code multiphysics reactor core simulations that is being developed by the Virtual Environment for Reactor Applications (VERA) project in the Consortium for Advanced Simulation of Light-Water Reactors (CASL). In this approach a user creates a single problem description, called the “VERAIn” common input file, to define and setup the desired coupled-code reactor core simulation. A preprocessing step accepts the VERAIn file and generates a set of fully consistent input files for the different physics codes being coupled. The problem is then solved using a single-executable coupled-code simulation tool applicable to the problem, which is built using VERA infrastructure software tools and the set of physics codes required for the problem of interest. The approach is demonstrated by performing an eigenvalue and power distribution calculation of a typical three-dimensional 17 × 17 assembly with thermal–hydraulic and fuel temperature feedback. All neutronics aspects of the problem (cross-section calculation, neutron transport, power release) are solved using the Insilico code suite and are fully coupled to a thermal–hydraulic analysis calculated by the Cobra-TF (CTF) code. The single-executable coupled-code (Insilico-CTF) simulation tool is created using several VERA tools, including LIME (Lightweight Integrating Multiphysics Environment for coupling codes), DTK (Data Transfer Kit), Trilinos, and TriBITS. Parallel calculations are performed on the Titan supercomputer at Oak
RF study and 3-D simulations of a side-coupling thermionic RF-gun
International Nuclear Information System (INIS)
Rimjaem, S.; Kusoljariyakul, K.; Thongbai, C.
2014-01-01
A thermionic RF-gun for generating ultra-short electron bunches was optimized, developed and used as a source at a linac-based THz radiation research laboratory of the Plasma and Beam Physics Research Facility, Chiang Mai University, Thailand. The RF-gun is a π/2-mode standing wave structure, which consists of two S-band accelerating cells and a side-coupling cavity. The 2856 MHz RF wave is supplied from an S-band klystron to the gun through the waveguide input-port at the cylindrical wall of the second cell. A fraction of the RF power is coupled from the second cell to the first one via a side-coupling cavity. Both the waveguide input-port and the side-coupling cavity lead to an asymmetric geometry of the gun. RF properties and electromagnetic field distributions inside the RF-gun were studied and numerically simulated by using computer codes SUPERFISH 7.19 and CST Microwave Studio 2012 © . RF characterizations and tunings of the RF-gun were performed to ensure the reliability of the gun operation. The results from 3D simulations and measurements are compared and discussed in this paper. The influence of asymmetric field distributions inside the RF-gun on the electron beam properties was investigated via 3D beam dynamics simulations. A change in the coupling-plane of the side-coupling cavity is suggested to improve the gun performance
RF study and 3-D simulations of a side-coupling thermionic RF-gun
Energy Technology Data Exchange (ETDEWEB)
Rimjaem, S., E-mail: sakhorn.rimjaem@cmu.ac.th [Department of Physics and Materials Science, Faculty of Science, Chiang Mai University, Chiang Mai 50200 (Thailand); Thailand Center of Excellence in Physics (ThEP), Commission on Higher Education, Bangkok 10400 (Thailand); Kusoljariyakul, K.; Thongbai, C. [Department of Physics and Materials Science, Faculty of Science, Chiang Mai University, Chiang Mai 50200 (Thailand); Thailand Center of Excellence in Physics (ThEP), Commission on Higher Education, Bangkok 10400 (Thailand)
2014-02-01
A thermionic RF-gun for generating ultra-short electron bunches was optimized, developed and used as a source at a linac-based THz radiation research laboratory of the Plasma and Beam Physics Research Facility, Chiang Mai University, Thailand. The RF-gun is a π/2-mode standing wave structure, which consists of two S-band accelerating cells and a side-coupling cavity. The 2856 MHz RF wave is supplied from an S-band klystron to the gun through the waveguide input-port at the cylindrical wall of the second cell. A fraction of the RF power is coupled from the second cell to the first one via a side-coupling cavity. Both the waveguide input-port and the side-coupling cavity lead to an asymmetric geometry of the gun. RF properties and electromagnetic field distributions inside the RF-gun were studied and numerically simulated by using computer codes SUPERFISH 7.19 and CST Microwave Studio 2012{sup ©}. RF characterizations and tunings of the RF-gun were performed to ensure the reliability of the gun operation. The results from 3D simulations and measurements are compared and discussed in this paper. The influence of asymmetric field distributions inside the RF-gun on the electron beam properties was investigated via 3D beam dynamics simulations. A change in the coupling-plane of the side-coupling cavity is suggested to improve the gun performance.
RF study and 3-D simulations of a side-coupling thermionic RF-gun
Rimjaem, S.; Kusoljariyakul, K.; Thongbai, C.
2014-02-01
A thermionic RF-gun for generating ultra-short electron bunches was optimized, developed and used as a source at a linac-based THz radiation research laboratory of the Plasma and Beam Physics Research Facility, Chiang Mai University, Thailand. The RF-gun is a π/2-mode standing wave structure, which consists of two S-band accelerating cells and a side-coupling cavity. The 2856 MHz RF wave is supplied from an S-band klystron to the gun through the waveguide input-port at the cylindrical wall of the second cell. A fraction of the RF power is coupled from the second cell to the first one via a side-coupling cavity. Both the waveguide input-port and the side-coupling cavity lead to an asymmetric geometry of the gun. RF properties and electromagnetic field distributions inside the RF-gun were studied and numerically simulated by using computer codes SUPERFISH 7.19 and CST Microwave Studio 2012©. RF characterizations and tunings of the RF-gun were performed to ensure the reliability of the gun operation. The results from 3D simulations and measurements are compared and discussed in this paper. The influence of asymmetric field distributions inside the RF-gun on the electron beam properties was investigated via 3D beam dynamics simulations. A change in the coupling-plane of the side-coupling cavity is suggested to improve the gun performance.
Numerical simulation of spin-qubit operation in coupled quantum dots
International Nuclear Information System (INIS)
Goto, Daisuke; Eto, Mikio
2007-01-01
Electronic states and spin operation in coupled quantum dots are numerically studied, considering realistic shape of quantum dots and electron-electron interaction. (i) We evaluate the spin coupling J between two electron spins, as a function of magnetic field perpendicular to the quantum dots. We observe a transition from antiferromagnetic coupling (J>0) to ferromagnetic coupling (J<0) at magnetic field of a few Tesla. The spin coupling is hardly influenced by the size difference between the quantum dots if the energy levels are matched. (ii) We simulate SWAP gate operations by calculating the time development of two electron spins. We show that a sudden change of tunnel barrier may result in the gate errors. The spin exchange is incomplete in the presence of strong spin-orbit interaction in InGaAs. (copyright 2007 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)
Semenov, Alexander; Babikov, Dmitri
2013-11-07
We formulated the mixed quantum/classical theory for rotationally and vibrationally inelastic scattering process in the diatomic molecule + atom system. Two versions of theory are presented, first in the space-fixed and second in the body-fixed reference frame. First version is easy to derive and the resultant equations of motion are transparent, but the state-to-state transition matrix is complex-valued and dense. Such calculations may be computationally demanding for heavier molecules and/or higher temperatures, when the number of accessible channels becomes large. In contrast, the second version of theory requires some tedious derivations and the final equations of motion are rather complicated (not particularly intuitive). However, the state-to-state transitions are driven by real-valued sparse matrixes of much smaller size. Thus, this formulation is the method of choice from the computational point of view, while the space-fixed formulation can serve as a test of the body-fixed equations of motion, and the code. Rigorous numerical tests were carried out for a model system to ensure that all equations, matrixes, and computer codes in both formulations are correct.
International Nuclear Information System (INIS)
Semenov, Alexander; Babikov, Dmitri
2013-01-01
We formulated the mixed quantum/classical theory for rotationally and vibrationally inelastic scattering process in the diatomic molecule + atom system. Two versions of theory are presented, first in the space-fixed and second in the body-fixed reference frame. First version is easy to derive and the resultant equations of motion are transparent, but the state-to-state transition matrix is complex-valued and dense. Such calculations may be computationally demanding for heavier molecules and/or higher temperatures, when the number of accessible channels becomes large. In contrast, the second version of theory requires some tedious derivations and the final equations of motion are rather complicated (not particularly intuitive). However, the state-to-state transitions are driven by real-valued sparse matrixes of much smaller size. Thus, this formulation is the method of choice from the computational point of view, while the space-fixed formulation can serve as a test of the body-fixed equations of motion, and the code. Rigorous numerical tests were carried out for a model system to ensure that all equations, matrixes, and computer codes in both formulations are correct
Rigid Body Sampling and Individual Time Stepping for Rigid-Fluid Coupling of Fluid Simulation
Directory of Open Access Journals (Sweden)
Xiaokun Wang
2017-01-01
Full Text Available In this paper, we propose an efficient and simple rigid-fluid coupling scheme with scientific programming algorithms for particle-based fluid simulation and three-dimensional visualization. Our approach samples the surface of rigid bodies with boundary particles that interact with fluids. It contains two procedures, that is, surface sampling and sampling relaxation, which insures uniform distribution of particles with less iterations. Furthermore, we present a rigid-fluid coupling scheme integrating individual time stepping to rigid-fluid coupling, which gains an obvious speedup compared to previous method. The experimental results demonstrate the effectiveness of our approach.
Recent status of FCI: PIC simulation of coupled-cavity structure
International Nuclear Information System (INIS)
Shintake, Tsumoru
1996-01-01
New version of FCI (Field Charge Interaction)-code simulates beam dynamics of an electron beam running in a coupled-cavity structure, such as a multi-cell output structure in a klystron amplifier, a coupled cavity TWT amplifier, a bunching structure in an electron injector and also an rf-gun with multi-cell accelerating cavity. The particle-in-cell simulation takes into account the space charge field, the beam loading effect and energy exchange with an external circuit in a self-consistent manner. (author)
A Coupling Vibration Test Bench and the Simulation Research of a Maglev Vehicle
Directory of Open Access Journals (Sweden)
Weihua Ma
2015-01-01
Full Text Available To study the characteristics of the coupling vibration between a maglev vehicle and its track beam system and to improve the performance of the levitation system, a new type of vibration test bench was developed. Take a single maglev frame as the study object; simulation of the coupling vibration of the maglev vehicle, levitation system, and track beam were achieved. In addition, all types of real track irregularity excitations can be simulated using hydraulic actuators of the test bench. To expand the research scope, a simulation model was developed that can conduct the simulation research synergistically with the test bench. Based on a dynamics model of the test bench, the dynamics simulation method determined the influence on the levitation control performance of three factors: the track beam support stiffness, the track beam mass, and the track irregularity. The vibration resonance phenomenon of the vehicle/track system was reproduced by the dynamics simulation, and a portion of the simulation results were validated by the test results. By combining the test bench and the dynamics model, experiments can be guided by the simulation results, and the experimental results can validate the dynamics simulation results.
International Nuclear Information System (INIS)
Mo Zeyao
2004-11-01
Multiphysics parallel numerical simulations are usually essential to simplify researches on complex physical phenomena in which several physics are tightly coupled. It is very important on how to concatenate those coupled physics for fully scalable parallel simulation. Meanwhile, three objectives should be balanced, the first is efficient data transfer among simulations, the second and the third are efficient parallel executions and simultaneously developments of those simulation codes. Two concatenating algorithms for multiphysics parallel numerical simulations coupling radiation hydrodynamics with neutron transport on unstructured grid are presented. The first algorithm, Fully Loosely Concatenation (FLC), focuses on the independence of code development and the independence running with optimal performance of code. The second algorithm. Two Level Tightly Concatenation (TLTC), focuses on the optimal tradeoffs among above three objectives. Theoretical analyses for communicational complexity and parallel numerical experiments on hundreds of processors on two parallel machines have showed that these two algorithms are efficient and can be generalized to other multiphysics parallel numerical simulations. In especial, algorithm TLTC is linearly scalable and has achieved the optimal parallel performance. (authors)
Directory of Open Access Journals (Sweden)
Alexandra N. Ramos Valle
2018-04-01
Full Text Available Storm surge events have the potential to cause devastating damage to coastal communities. The magnitude of their impacts highlights the need for increased accuracy and real-time forecasting and predictability of storm surge. In this study, we assess two meteorological forcing configurations to hindcast the storm surge of Hurricane Sandy, and ultimately support the improvement of storm surge forecasts. The Weather Research and Forecasting (WRF model is coupled to the ADvanced CIRCulation Model (ADCIRC to determine water elevations. We perform four coupled simulations and compare storm surge estimates resulting from the use of a parametric vortex model and a full-physics atmospheric model. One simulation is forced with track-based meteorological data calculated from WRF, while three simulations are forced with the full wind and pressure field outputs from WRF simulations of varying resolutions. Experiments were compared to an ADCIRC simulation forced by National Hurricane Center best track data, as well as to station observations. Our results indicated that given accurate meteorological best track data, a parametric vortex model can accurately forecast maximum water elevations, improving upon the use of a full-physics coupled atmospheric-surge model. In the absence of a best track, atmospheric forcing in the form of full wind and pressure field from a high-resolution atmospheric model simulation prove reliable for storm surge forecasting.
Numerical simulation of aerodynamic performance of a couple multiple units high-speed train
Niu, Ji-qiang; Zhou, Dan; Liu, Tang-hong; Liang, Xi-feng
2017-05-01
In order to determine the effect of the coupling region on train aerodynamic performance, and how the coupling region affects aerodynamic performance of the couple multiple units trains when they both run and pass each other in open air, the entrance of two such trains into a tunnel and their passing each other in the tunnel was simulated in Fluent 14.0. The numerical algorithm employed in this study was verified by the data of scaled and full-scale train tests, and the difference lies within an acceptable range. The results demonstrate that the distribution of aerodynamic forces on the train cars is altered by the coupling region; however, the coupling region has marginal effect on the drag and lateral force on the whole train under crosswind, and the lateral force on the train cars is more sensitive to couple multiple units compared to the other two force coefficients. It is also determined that the component of the coupling region increases the fluctuation of aerodynamic coefficients for each train car under crosswind. Affected by the coupling region, a positive pressure pulse was introduced in the alternating pressure produced by trains passing by each other in the open air, and the amplitude of the alternating pressure was decreased by the coupling region. The amplitude of the alternating pressure on the train or on the tunnel was significantly decreased by the coupling region of the train. This phenomenon did not alter the distribution law of pressure on the train and tunnel; moreover, the effect of the coupling region on trains passing by each other in the tunnel is stronger than that on a single train passing through the tunnel.
System Simulation of Nuclear Power Plant by Coupling RELAP5 and Matlab/Simulink
International Nuclear Information System (INIS)
Meng Lin; Dong Hou; Zhihong Xu; Yanhua Yang; Ronghua Zhang
2006-01-01
Since RELAP5 code has general and advanced features in thermal-hydraulic computation, it has been widely used in transient and accident safety analysis, experiment planning analysis, and system simulation, etc. So we wish to design, analyze, verify a new Instrumentation And Control (I and C) system of Nuclear Power Plant (NPP) based on the best-estimated code, and even develop our engineering simulator. But because of limited function of simulating control and protection system in RELAP5, it is necessary to expand the function for high efficient, accurate, flexible design and simulation of I and C system. Matlab/Simulink, a scientific computation software, just can compensate the limitation, which is a powerful tool in research and simulation of plant process control. The software is selected as I and C part to be coupled with RELAP5 code to realize system simulation of NPPs. There are two key techniques to be solved. One is the dynamic data exchange, by which Matlab/Simulink receives plant parameters and returns control results. Database is used to communicate the two codes. Accordingly, Dynamic Link Library (DLL) is applied to link database in RELAP5, while DLL and S-Function is applied in Matlab/Simulink. The other problem is synchronization between the two codes for ensuring consistency in global simulation time. Because Matlab/Simulink always computes faster than RELAP5, the simulation time is sent by RELAP5 and received by Matlab/Simulink. A time control subroutine is added into the simulation procedure of Matlab/Simulink to control its simulation advancement. Through these ways, Matlab/Simulink is dynamically coupled with RELAP5. Thus, in Matlab/Simulink, we can freely design control and protection logic of NPPs and test it with best-estimated plant model feedback. A test will be shown to illuminate that results of coupling calculation are nearly the same with one of single RELAP5 with control logic. In practice, a real Pressurized Water Reactor (PWR) is
Coupling a groundwater model with a land surface model to improve water and energy cycle simulation
Directory of Open Access Journals (Sweden)
W. Tian
2012-12-01
Full Text Available Water and energy cycles interact, making these two processes closely related. Land surface models (LSMs can describe the water and energy cycles on the land surface, but their description of the subsurface water processes is oversimplified, and lateral groundwater flow is ignored. Groundwater models (GWMs describe the dynamic movement of the subsurface water well, but they cannot depict the physical mechanisms of the evapotranspiration (ET process in detail. In this study, a coupled model of groundwater flow with a simple biosphere (GWSiB is developed based on the full coupling of a typical land surface model (SiB2 and a 3-D variably saturated groundwater model (AquiferFlow. In this coupled model, the infiltration, ET and energy transfer are simulated by SiB2 using the soil moisture results from the groundwater flow model. The infiltration and ET results are applied iteratively to drive the groundwater flow model. After the coupled model is built, a sensitivity test is first performed, and the effect of the groundwater depth and the hydraulic conductivity parameters on the ET are analyzed. The coupled model is then validated using measurements from two stations located in shallow and deep groundwater depth zones. Finally, the coupled model is applied to data from the middle reach of the Heihe River basin in the northwest of China to test the regional simulation capabilities of the model.
Model of natural ventilation by using a coupled thermal-airflow simulation program
DEFF Research Database (Denmark)
Oropeza-Perez, Ivan; Østergaard, Poul Alberg; Remmen, Arne
2012-01-01
This article presents a model of natural ventilation of buildings at the stage of design and a consequence of the behaviour of the occupants. An evaluation is made by coupling multizone air modelling and thermal building simulation using a deterministic set of input factors comprising among others...
DEFF Research Database (Denmark)
Wu, Kehuai; Madsen, Jan
2007-01-01
and resource management, and iii) present a SystemC based framework to model and simulate coprocessor-coupled reconfigurable systems. We illustrate how COSMOS may be used to capture the dynamic behavior of such systems and emphasize the need for capturing the system aspects of such systems in order to deal...
A surface analysis nudging scheme coupling atmospheric and land surface thermodynamic parameters has been implemented into WRF v3.8 (latest version) for use with retrospective weather and climate simulations, as well as for applications in air quality, hydrology, and ecosystem mo...
Integration of control and building performance simulation software by run-time coupling
Yahiaoui, A.; Hensen, J.L.M.; Soethout, L.L.
2003-01-01
This paper presents the background, approach and initial results of a project, which aims to achieve better integrated building and systems control modeling in building performance simulation by runtime coupling of distributed computer programs. This paper focuses on one of the essential steps
Efficient frequency-transient co-simulation of coupled heat-electromagnetic problems
Kaufmann, C.; Günther, M.; Klagges, D.; Knorrenschild, M.; Richwin, M.; Schöps, S.; Maten, ter E.J.W.
2012-01-01
Background: With the recent advent of inductive charging systems all major automotive manufacturers develop concepts to wirelessly charge electric vehicles. E¿cient designs require virtual prototyping that accounts for electromagnetic and thermal ¿elds. The coupled simulations can be computationally
Coupled heat-electromagnetic simulation of inductive charging stations for electric vehicles
Kaufmann, C.; Günther, M.; Klagges, D.; Richwin, M.; Schöps, S.; Maten, ter E.J.W.
2012-01-01
Coupled electromagnetic-heat problems have been studied for induction or inductive heating, for dielectric heating, for testing of corrosion, for detection of cracks, for hardening of steel, and more recently for inductive charging of electric vehicles. In nearly all cases a simple co-simulation is
Coupled heat-electromagnetic simulation of inductive charging stations for electric vehicles
Kaufmann, C.; Günther, M.; Klagges, D.; Richwin, M.; Schöps, S.; Maten, ter E.J.W.; Fontes, M.; Günther, M.; Marheineke, N.
2014-01-01
Coupled electromagnetic-heat problems have been studied for induction or inductive heating, for dielectric heating, for testing of corrosion, for detection of cracks, for hardening of steel, and more recently for inductive charging of electric vehicles. In nearly all cases a simple co-simulation is
A coupling method for a cardiovascular simulation model which includes the Kalman filter.
Hasegawa, Yuki; Shimayoshi, Takao; Amano, Akira; Matsuda, Tetsuya
2012-01-01
Multi-scale models of the cardiovascular system provide new insight that was unavailable with in vivo and in vitro experiments. For the cardiovascular system, multi-scale simulations provide a valuable perspective in analyzing the interaction of three phenomenons occurring at different spatial scales: circulatory hemodynamics, ventricular structural dynamics, and myocardial excitation-contraction. In order to simulate these interactions, multiscale cardiovascular simulation systems couple models that simulate different phenomena. However, coupling methods require a significant amount of calculation, since a system of non-linear equations must be solved for each timestep. Therefore, we proposed a coupling method which decreases the amount of calculation by using the Kalman filter. In our method, the Kalman filter calculates approximations for the solution to the system of non-linear equations at each timestep. The approximations are then used as initial values for solving the system of non-linear equations. The proposed method decreases the number of iterations required by 94.0% compared to the conventional strong coupling method. When compared with a smoothing spline predictor, the proposed method required 49.4% fewer iterations.
Directory of Open Access Journals (Sweden)
Shunde Yin
2018-03-01
Simulation of thermal fracturing during cold CO2 injection involves the coupled processes of heat transfer, mass transport, rock deforming as well as fracture propagation. To model such a complex coupled system, a fully coupled finite element framework for thermal fracturing simulation is presented. This framework is based on the theory of non-isothermal multiphase flow in fracturing porous media. It takes advantage of recent advances in stabilized finite element and extended finite element methods. The stabilized finite element method overcomes the numerical instability encountered when the traditional finite element method is used to solve the convection dominated heat transfer equation, while the extended finite element method overcomes the limitation with traditional finite element method that a model has to be remeshed when a fracture is initiated or propagating and fracturing paths have to be aligned with element boundaries.
Computer simulations of neural mechanisms explaining upper and lower limb excitatory neural coupling
Directory of Open Access Journals (Sweden)
Ferris Daniel P
2010-12-01
Full Text Available Abstract Background When humans perform rhythmic upper and lower limb locomotor-like movements, there is an excitatory effect of upper limb exertion on lower limb muscle recruitment. To investigate potential neural mechanisms for this behavioral observation, we developed computer simulations modeling interlimb neural pathways among central pattern generators. We hypothesized that enhancement of muscle recruitment from interlimb spinal mechanisms was not sufficient to explain muscle enhancement levels observed in experimental data. Methods We used Matsuoka oscillators for the central pattern generators (CPG and determined parameters that enhanced amplitudes of rhythmic steady state bursts. Potential mechanisms for output enhancement were excitatory and inhibitory sensory feedback gains, excitatory and inhibitory interlimb coupling gains, and coupling geometry. We first simulated the simplest case, a single CPG, and then expanded the model to have two CPGs and lastly four CPGs. In the two and four CPG models, the lower limb CPGs did not receive supraspinal input such that the only mechanisms available for enhancing output were interlimb coupling gains and sensory feedback gains. Results In a two-CPG model with inhibitory sensory feedback gains, only excitatory gains of ipsilateral flexor-extensor/extensor-flexor coupling produced reciprocal upper-lower limb bursts and enhanced output up to 26%. In a two-CPG model with excitatory sensory feedback gains, excitatory gains of contralateral flexor-flexor/extensor-extensor coupling produced reciprocal upper-lower limb bursts and enhanced output up to 100%. However, within a given excitatory sensory feedback gain, enhancement due to excitatory interlimb gains could only reach levels up to 20%. Interconnecting four CPGs to have ipsilateral flexor-extensor/extensor-flexor coupling, contralateral flexor-flexor/extensor-extensor coupling, and bilateral flexor-extensor/extensor-flexor coupling could enhance
International Nuclear Information System (INIS)
Tabary, J.; Gliere, A.
2001-01-01
A Monte Carlo radiation transport simulation program, EGS Nova, and a computer aided design software, BRL-CAD, have been coupled within the framework of Sindbad, a nondestructive evaluation (NDE) simulation system. In its current status, the program is very valuable in a NDE laboratory context, as it helps simulate the images due to the uncollided and scattered photon fluxes in a single NDE software environment, without having to switch to a Monte Carlo code parameters set. Numerical validations show a good agreement with EGS4 computed and published data. As the program's major drawback is the execution time, computational efficiency improvements are foreseen. (orig.)
Multi-Scale Coupling Between Monte Carlo Molecular Simulation and Darcy-Scale Flow in Porous Media
Saad, Ahmed Mohamed; Kadoura, Ahmad Salim; Sun, Shuyu
2016-01-01
In this work, an efficient coupling between Monte Carlo (MC) molecular simulation and Darcy-scale flow in porous media is presented. The cell centered finite difference method with non-uniform rectangular mesh were used to discretize the simulation
Regional air-sea coupled model simulation for two types of extreme heat in North China
Li, Donghuan; Zou, Liwei; Zhou, Tianjun
2018-03-01
Extreme heat (EH) over North China (NC) is affected by both large scale circulations and local topography, and could be categorized into foehn favorable and no-foehn types. In this study, the performance of a regional coupled model in simulating EH over NC was examined. The effects of regional air-sea coupling were also investigated by comparing the results with the corresponding atmosphere-alone regional model. On foehn favorable (no-foehn) EH days, a barotropic cyclonic (anticyclonic) anomaly is located to the northeast (northwest) of NC, while anomalous northwesterlies (southeasterlies) prevail over NC in the lower troposphere. In the uncoupled simulation, barotropic anticyclonic bias occurs over China on both foehn favorable and no-foehn EH days, and the northwesterlies in the lower troposphere on foehn favorable EH days are not obvious. These biases are significantly reduced in the regional coupled simulation, especially on foehn favorable EH days with wind anomalies skill scores improving from 0.38 to 0.47, 0.47 to 0.61 and 0.38 to 0.56 for horizontal winds at 250, 500 and 850 hPa, respectively. Compared with the uncoupled simulation, the reproduction of the longitudinal position of Northwest Pacific subtropical high (NPSH) and the spatial pattern of the low-level monsoon flow over East Asia are improved in the coupled simulation. Therefore, the anticyclonic bias over China is obviously reduced, and the proportion of EH days characterized by anticyclonic anomaly is more appropriate. The improvements in the regional coupled model indicate that it is a promising choice for the future projection of EH over NC.
Directory of Open Access Journals (Sweden)
Y. Zhao
2017-11-01
Full Text Available Climate signals are the results of interactions of multiple timescale media such as the atmosphere and ocean in the coupled earth system. Coupled data assimilation (CDA pursues balanced and coherent climate analysis and prediction initialization by incorporating observations from multiple media into a coupled model. In practice, an observational time window (OTW is usually used to collect measured data for an assimilation cycle to increase observational samples that are sequentially assimilated with their original error scales. Given different timescales of characteristic variability in different media, what are the optimal OTWs for the coupled media so that climate signals can be most accurately recovered by CDA? With a simple coupled model that simulates typical scale interactions in the climate system and twin CDA experiments, we address this issue here. Results show that in each coupled medium, an optimal OTW can provide maximal observational information that best fits the characteristic variability of the medium during the data blending process. Maintaining correct scale interactions, the resulting CDA improves the analysis of climate signals greatly. These simple model results provide a guideline for when the real observations are assimilated into a coupled general circulation model for improving climate analysis and prediction initialization by accurately recovering important characteristic variability such as sub-diurnal in the atmosphere and diurnal in the ocean.
An assessment of coupling algorithms for nuclear reactor core physics simulations
Energy Technology Data Exchange (ETDEWEB)
Hamilton, Steven, E-mail: hamiltonsp@ornl.gov [Oak Ridge National Laboratory, 1 Bethel Valley Rd., Oak Ridge, TN 37831 (United States); Berrill, Mark, E-mail: berrillma@ornl.gov [Oak Ridge National Laboratory, 1 Bethel Valley Rd., Oak Ridge, TN 37831 (United States); Clarno, Kevin, E-mail: clarnokt@ornl.gov [Oak Ridge National Laboratory, 1 Bethel Valley Rd., Oak Ridge, TN 37831 (United States); Pawlowski, Roger, E-mail: rppawlo@sandia.gov [Sandia National Laboratories, MS 0316, P.O. Box 5800, Albuquerque, NM 87185 (United States); Toth, Alex, E-mail: artoth@ncsu.edu [North Carolina State University, Department of Mathematics, Box 8205, Raleigh, NC 27695 (United States); Kelley, C.T., E-mail: tim_kelley@ncsu.edu [North Carolina State University, Department of Mathematics, Box 8205, Raleigh, NC 27695 (United States); Evans, Thomas, E-mail: evanstm@ornl.gov [Oak Ridge National Laboratory, 1 Bethel Valley Rd., Oak Ridge, TN 37831 (United States); Philip, Bobby, E-mail: philipb@ornl.gov [Oak Ridge National Laboratory, 1 Bethel Valley Rd., Oak Ridge, TN 37831 (United States)
2016-04-15
This paper evaluates the performance of multiphysics coupling algorithms applied to a light water nuclear reactor core simulation. The simulation couples the k-eigenvalue form of the neutron transport equation with heat conduction and subchannel flow equations. We compare Picard iteration (block Gauss–Seidel) to Anderson acceleration and multiple variants of preconditioned Jacobian-free Newton–Krylov (JFNK). The performance of the methods are evaluated over a range of energy group structures and core power levels. A novel physics-based approximation to a Jacobian-vector product has been developed to mitigate the impact of expensive on-line cross section processing steps. Numerical simulations demonstrating the efficiency of JFNK and Anderson acceleration relative to standard Picard iteration are performed on a 3D model of a nuclear fuel assembly. Both criticality (k-eigenvalue) and critical boron search problems are considered.
Coupled large-eddy simulation of thermal mixing in a T-junction
International Nuclear Information System (INIS)
Kloeren, D.; Laurien, E.
2011-01-01
Analyzing thermal fatigue due to thermal mixing in T-junctions is part of the safety assessment of nuclear power plants. Results of two large-eddy simulations of mixing flow in a T-junction with coupled and adiabatic boundary condition are presented and compared. The temperature difference is set to 100 K, which leads to strong stratification of the flow. The main and the branch pipe intersect horizontally in this simulation. The flow is characterized by steady wavy pattern of stratification and temperature distribution. The coupled solution approach shows highly reduced temperature fluctuations in the near wall region due to thermal inertia of the wall. A conjugate heat transfer approach is necessary in order to simulate unsteady heat transfer accurately for large inlet temperature differences. (author)
Measuring the composition-curvature coupling in binary lipid membranes by computer simulations
Energy Technology Data Exchange (ETDEWEB)
Barragán Vidal, I. A., E-mail: vidal@theorie.physik.uni-goettingen.de; Müller, M., E-mail: mmueller@theorie.physik.uni-goettingen.de [Institut für Theoretische Physik, Georg-August-Universität, Friedrich-Hund-Platz 1, 37077 Göttingen (Germany); Rosetti, C. M., E-mail: carla@dqb.fcq.unc.edu.ar [Centro de Investigaciones en Química Biológica de Córdoba, Departamento de Química Biológica, Facultad de Ciencias Químicas, Universidad Nacional de Córdoba, Ciudad Universitaria, Córdoba (Argentina); Pastorino, C., E-mail: pastor@cnea.gov.ar [Departamento de Física de la Materia Condensada, Centro Atómico Constituyentes, CNEA/CONICET, Av. Gral. Paz 1499, 1650 Pcia. de Buenos Aires (Argentina)
2014-11-21
The coupling between local composition fluctuations in binary lipid membranes and curvature affects the lateral membrane structure. We propose an efficient method to compute the composition-curvature coupling in molecular simulations and apply it to two coarse-grained membrane models—a minimal, implicit-solvent model and the MARTINI model. Both the weak-curvature behavior that is typical for thermal fluctuations of planar bilayer membranes as well as the strong-curvature regime corresponding to narrow cylindrical membrane tubes are studied by molecular dynamics simulation. The simulation results are analyzed by using a phenomenological model of the thermodynamics of curved, mixed bilayer membranes that accounts for the change of the monolayer area upon bending. Additionally the role of thermodynamic characteristics such as the incompatibility between the two lipid species and asymmetry of composition are investigated.
Measuring the composition-curvature coupling in binary lipid membranes by computer simulations
International Nuclear Information System (INIS)
Barragán Vidal, I. A.; Müller, M.; Rosetti, C. M.; Pastorino, C.
2014-01-01
The coupling between local composition fluctuations in binary lipid membranes and curvature affects the lateral membrane structure. We propose an efficient method to compute the composition-curvature coupling in molecular simulations and apply it to two coarse-grained membrane models—a minimal, implicit-solvent model and the MARTINI model. Both the weak-curvature behavior that is typical for thermal fluctuations of planar bilayer membranes as well as the strong-curvature regime corresponding to narrow cylindrical membrane tubes are studied by molecular dynamics simulation. The simulation results are analyzed by using a phenomenological model of the thermodynamics of curved, mixed bilayer membranes that accounts for the change of the monolayer area upon bending. Additionally the role of thermodynamic characteristics such as the incompatibility between the two lipid species and asymmetry of composition are investigated
Efficient Integration of Coupled Electrical-chemical Systems in Multiscale Neuronal Simulations
Directory of Open Access Journals (Sweden)
Ekaterina Brocke
2016-09-01
Full Text Available Multiscale modeling and simulations in neuroscience is gaining scientific attention due to its growing importance and unexplored capabilities. For instance, it can help to acquire better understanding of biological phenomena that have important features at multiple scales of time and space. This includes synaptic plasticity, memory formation and modulation, homeostasis. There are several ways to organize multiscale simulations depending on the scientific problem and the system to be modeled. One of the possibilities is to simulate different components of a multiscale system simultaneously and exchange data when required. The latter may become a challenging task for several reasons. One of them is that the components of a multiscale system usually span different spatial and temporal scales, such that rigorous analysis of possible coupling solutions is required. For certain classes of problems a number of coupling mechanisms have been proposed and successfully used. However, a strict mathematical theory is missing in many cases. Recent work in the field has not so far investigated artifacts that may arise during coupled integration of different approximation methods. Moreover, the coupling of widely used numerical fixed step size solvers may lead to unexpected inefficiency. In this paper we address the question of possible numerical artifacts that can arise during the integration of a coupled system. We develop an efficient strategy to couple the components of a multiscale test system. We introduce an efficient coupling method based on the second-order backward differentiation formula numerical approximation. The method uses an adaptive step size integration with an error estimation proposed by Skelboe (2000. The method shows a significant advantage over conventional fixed step size solvers used for similar problems. We explore different coupling strategies that define the organization of computations between system components. We study the
Bao, Kai
2015-10-26
The present work describes a parallel computational framework for carbon dioxide (CO2) sequestration simulation by coupling reservoir simulation and molecular dynamics (MD) on massively parallel high-performance-computing (HPC) systems. In this framework, a parallel reservoir simulator, reservoir-simulation toolbox (RST), solves the flow and transport equations that describe the subsurface flow behavior, whereas the MD simulations are performed to provide the required physical parameters. Technologies from several different fields are used to make this novel coupled system work efficiently. One of the major applications of the framework is the modeling of large-scale CO2 sequestration for long-term storage in subsurface geological formations, such as depleted oil and gas reservoirs and deep saline aquifers, which has been proposed as one of the few attractive and practical solutions to reduce CO2 emissions and address the global-warming threat. Fine grids and accurate prediction of the properties of fluid mixtures under geological conditions are essential for accurate simulations. In this work, CO2 sequestration is presented as a first example for coupling reservoir simulation and MD, although the framework can be extended naturally to the full multiphase multicomponent compositional flow simulation to handle more complicated physical processes in the future. Accuracy and scalability analysis are performed on an IBM BlueGene/P and on an IBM BlueGene/Q, the latest IBM supercomputer. Results show good accuracy of our MD simulations compared with published data, and good scalability is observed with the massively parallel HPC systems. The performance and capacity of the proposed framework are well-demonstrated with several experiments with hundreds of millions to one billion cells. To the best of our knowledge, the present work represents the first attempt to couple reservoir simulation and molecular simulation for large-scale modeling. Because of the complexity of
Tu, Chia-Ying; Tseng, Wan-Ling; Kuo, Pei-Hsuan; Lan, Yung-Yao; Tsuang, Ben-Jei; Hsu, Huang-Hsiung
2017-04-01
Precipitation in Taiwan area is significantly influenced by MJO (Madden-Julian Oscillation) in the boreal winter. This study is therefore conducted by toggling the MJO prediction and simulation with a unique model structure. The one-dimensional TKE (Turbulence Kinetic Energy) type ocean model SIT (Snow, Ice, Thermocline) with refined vertical resolution near surface is able to resolve cool skin, as well as diurnal warm layer. SIT can simulate accurate SST and hence give precise air-sea interaction. By coupling SIT with ECHAM5 (MPI-Meteorology), CAM5 (NCAR) and HiRAM (GFDL), the MJO simulations in 20-yrs climate integrations conducted by three SIT-coupled AGCMs are significant improved comparing to those driven by prescribed SST. The horizontal resolutions in ECHAM5, CAM5 and HiRAM are 2-deg., 1-deg and 0.5-deg., respectively. This suggests that the improvement of MJO simulation by coupling SIT is AGCM-resolution independent. This study further utilizes HiRAM coupled SIT to evaluate its MJO forecast skill. HiRAM has been recognized as one of the best model for seasonal forecasts of hurricane/typhoon activity (Zhao et al., 2009; Chen & Lin, 2011; 2013), but was not as successful in MJO forecast. The preliminary result of the HiRAM-SIT experiment during DYNAMO period shows improved success in MJO forecast. These improvements of MJO prediction and simulation in both hindcast experiments and climate integrations are mainly from better-simulated SST diurnal cycle and diurnal amplitude, which is contributed by the refined vertical resolution near ocean surface in SIT. Keywords: MJO Predictability, DYNAMO
A coupled approach for the three-dimensional simulation of pipe leakage in variably saturated soil
Peche, Aaron; Graf, Thomas; Fuchs, Lothar; Neuweiler, Insa
2017-12-01
In urban water pipe networks, pipe leakage may lead to subsurface contamination or to reduced waste water treatment efficiency. The quantification of pipe leakage is challenging due to inaccessibility and unknown hydraulic properties of the soil. A novel physically-based model for three-dimensional numerical simulation of pipe leakage in variably saturated soil is presented. We describe the newly implemented coupling between the pipe flow simulator HYSTEM-EXTRAN and the groundwater flow simulator OpenGeoSys and its validation. We further describe a novel upscaling of leakage using transfer functions derived from numerical simulations. This upscaling enables the simulation of numerous pipe defects with the benefit of reduced computation times. Finally, we investigate the response of leakage to different time-dependent pipe flow events and conclude that larger pipe flow volume and duration lead to larger leakage while the peak position in time has a small effect on leakage.
COUPLED SIMULATION OF GAS COOLED FAST REACTOR FUEL ASSEMBLY WITH NESTLE CODE SYSTEM
Directory of Open Access Journals (Sweden)
Filip Osusky
2018-05-01
Full Text Available The paper is focused on coupled calculation of the Gas Cooled Fast Reactor. The proper modelling of coupled neutronics and thermal-hydraulics is the corner stone for future safety assessment of the control and emergency systems. Nowadays, the system and channel thermal-hydraulic codes are accepted by the national regulatory authorities in European Union for license purposes, therefore the code NESTLE was used for the simulation. The NESTLE code is a coupled multigroup neutron diffusion code with thermal-hydraulic sub-channel code. In the paper, the validation of NESTLE code 5.2.1 installation is presented. The processing of fuel assembly homogeneous parametric cross-section library for NESTLE code simulation is made by the sequence TRITON of SCALE code package system. The simulated case in the NESTLE code is one fuel assembly of GFR2400 concept with reflective boundary condition in radial direction and zero flux boundary condition in axial direction. The results of coupled calculation are presented and are consistent with the GFR2400 study of the GoFastR project.
Energy Technology Data Exchange (ETDEWEB)
Zhao, Mei; Wang, Guomin; Hendon, Harry H.; Alves, Oscar [Bureau of Meteorology, Centre for Australian Weather and Climate Research, Melbourne (Australia)
2011-04-15
Impacts on the coupled variability of the Indo-Pacific by including the effects of surface currents on surface stress are explored in four extended integrations of an experimental version of the Bureau of Meteorology's coupled seasonal forecast model POAMA. The first pair of simulations differs only in their treatment of momentum coupling: one version includes the effects of surface currents on the surface stress computation and the other does not. The version that includes the effect of surface currents has less mean-state bias in the equatorial Pacific cold tongue but produces relatively weak coupled variability in the Tropics, especially that related to the Indian Ocean dipole (IOD) and El Nino/Southern Oscillation (ENSO). The version without the effects of surface currents has greater bias in the Pacific cold tongue but stronger IOD and ENSO variability. In order to diagnose the role of changes in local coupling from changes in remote forcing by ENSO for causing changes in IOD variability, a second set of simulations is conducted where effects of surface currents are included only in the Indian Ocean and only in the Pacific Ocean. IOD variability is found to be equally reduced by inclusion of the local effects of surface currents in the Indian Ocean and by the reduction of ENSO variability as a result of including effects of surface currents in the Pacific. Some implications of these results for predictability of the IOD and its dependence on ENSO, and for ocean subsurface data assimilation are discussed. (orig.)
Bao, Kai
2013-01-01
The present work describes a parallel computational framework for CO2 sequestration simulation by coupling reservoir simulation and molecular dynamics (MD) on massively parallel HPC systems. In this framework, a parallel reservoir simulator, Reservoir Simulation Toolbox (RST), solves the flow and transport equations that describe the subsurface flow behavior, while the molecular dynamics simulations are performed to provide the required physical parameters. Numerous technologies from different fields are employed to make this novel coupled system work efficiently. One of the major applications of the framework is the modeling of large scale CO2 sequestration for long-term storage in the subsurface geological formations, such as depleted reservoirs and deep saline aquifers, which has been proposed as one of the most attractive and practical solutions to reduce the CO2 emission problem to address the global-warming threat. To effectively solve such problems, fine grids and accurate prediction of the properties of fluid mixtures are essential for accuracy. In this work, the CO2 sequestration is presented as our first example to couple the reservoir simulation and molecular dynamics, while the framework can be extended naturally to the full multiphase multicomponent compositional flow simulation to handle more complicated physical process in the future. Accuracy and scalability analysis are performed on an IBM BlueGene/P and on an IBM BlueGene/Q, the latest IBM supercomputer. Results show good accuracy of our MD simulations compared with published data, and good scalability are observed with the massively parallel HPC systems. The performance and capacity of the proposed framework are well demonstrated with several experiments with hundreds of millions to a billion cells. To our best knowledge, the work represents the first attempt to couple the reservoir simulation and molecular simulation for large scale modeling. Due to the complexity of the subsurface systems
Study on Fluid-solid Coupling Mathematical Models and Numerical Simulation of Coal Containing Gas
Xu, Gang; Hao, Meng; Jin, Hongwei
2018-02-01
Based on coal seam gas migration theory under multi-physics field coupling effect, fluid-solid coupling model of coal seam gas was build using elastic mechanics, fluid mechanics in porous medium and effective stress principle. Gas seepage behavior under different original gas pressure was simulated. Results indicated that residual gas pressure, gas pressure gradient and gas low were bigger when original gas pressure was higher. Coal permeability distribution decreased exponentially when original gas pressure was lower than critical pressure. Coal permeability decreased rapidly first and then increased slowly when original pressure was higher than critical pressure.
Quantum Simulation of the Ultrastrong-Coupling Dynamics in Circuit Quantum Electrodynamics
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D. Ballester
2012-05-01
Full Text Available We propose a method to get experimental access to the physics of the ultrastrong- and deep-strong-coupling regimes of light-matter interaction through the quantum simulation of their dynamics in standard circuit QED. The method makes use of a two-tone driving scheme, using state-of-the-art circuit-QED technology, and can be easily extended to general cavity-QED setups. We provide examples of ultrastrong- and deep-strong-coupling quantum effects that would be otherwise inaccessible.
International Nuclear Information System (INIS)
Gomez Torres, Armando Miguel
2011-01-01
This doctoral thesis describes the methodological development of coupled neutron-kinetics/thermal-hydraulics codes for the design and safety analysis of reactor systems taking into account the feedback mechanisms on the fuel rod level, according to different approaches. A central part of this thesis is the development and validation of a high fidelity simulation tool, DYNSUB, which results from the ''two-way-coupling'' of DYN3D-SP3 and SUBCHANFLOW. It allows the determination of local safety parameters through a detailed description of the core behavior under stationary and transient conditions at fuel rod level.
International Nuclear Information System (INIS)
Yu Xiao-Xiang; Wang Chong-Yu
2013-01-01
An effective multiscale simulation which concurrently couples the quantum-mechanical and molecular-mechanical calculations based on the position continuity of atoms is presented. By an iterative procedure, the structure of the dislocation core in face-centered cubic metal is obtained by first-principles calculation and the long-range stress is released by molecular dynamics relaxation. Compared to earlier multiscale methods, the present work couples the long-range strain to the local displacements of the dislocation core in a simpler way with the same accuracy. (condensed matter: electronic structure, electrical, magnetic, and optical properties)
Hidayat, Iki; Sutopo; Pratama, Heru Berian
2017-12-01
The Kerinci geothermal field is one phase liquid reservoir system in the Kerinci District, western part of Jambi Province. In this field, there are geothermal prospects that identified by the heat source up flow inside a National Park area. Kerinci field was planned to develop 1×55 MWe by Pertamina Geothermal Energy. To define reservoir characterization, the numerical simulation of Kerinci field is developed by using TOUGH2 software with information from conceptual model. The pressure and temperature profile well data of KRC-B1 are validated with simulation data to reach natural state condition. The result of the validation is suitable matching. Based on natural state simulation, the resource assessment of Kerinci geothermal field is estimated by using Monte Carlo simulation with the result P10-P50-P90 are 49.4 MW, 64.3 MW and 82.4 MW respectively. This paper is the first study of resource assessment that has been estimated successfully in Kerinci Geothermal Field using numerical simulation coupling with Monte carlo simulation.
DataSpaces: An Interaction and Coordination Framework for Coupled Simulation Workflows
International Nuclear Information System (INIS)
Docan, Ciprian; Klasky, Scott A.; Parashar, Manish
2010-01-01
Emerging high-performance distributed computing environments are enabling new end-to-end formulations in science and engineering that involve multiple interacting processes and data-intensive application workflows. For example, current fusion simulation efforts are exploring coupled models and codes that simultaneously simulate separate application processes, such as the core and the edge turbulence, and run on different high performance computing resources. These components need to interact, at runtime, with each other and with services for data monitoring, data analysis and visualization, and data archiving. As a result, they require efficient support for dynamic and flexible couplings and interactions, which remains a challenge. This paper presents Data-Spaces, a flexible interaction and coordination substrate that addresses this challenge. DataSpaces essentially implements a semantically specialized virtual shared space abstraction that can be associatively accessed by all components and services in the application workflow. It enables live data to be extracted from running simulation components, indexes this data online, and then allows it to be monitored, queried and accessed by other components and services via the space using semantically meaningful operators. The underlying data transport is asynchronous, low-overhead and largely memory-to-memory. The design, implementation, and experimental evaluation of DataSpaces using a coupled fusion simulation workflow is presented.
Sensitivity of simulated regional Arctic climate to the choice of coupled model domain
Directory of Open Access Journals (Sweden)
Dmitry V. Sein
2014-07-01
Full Text Available The climate over the Arctic has undergone changes in recent decades. In order to evaluate the coupled response of the Arctic system to external and internal forcing, our study focuses on the estimation of regional climate variability and its dependence on large-scale atmospheric and regional ocean circulations. A global ocean–sea ice model with regionally high horizontal resolution is coupled to an atmospheric regional model and global terrestrial hydrology model. This way of coupling divides the global ocean model setup into two different domains: one coupled, where the ocean and the atmosphere are interacting, and one uncoupled, where the ocean model is driven by prescribed atmospheric forcing and runs in a so-called stand-alone mode. Therefore, selecting a specific area for the regional atmosphere implies that the ocean–atmosphere system can develop ‘freely’ in that area, whereas for the rest of the global ocean, the circulation is driven by prescribed atmospheric forcing without any feedbacks. Five different coupled setups are chosen for ensemble simulations. The choice of the coupled domains was done to estimate the influences of the Subtropical Atlantic, Eurasian and North Pacific regions on northern North Atlantic and Arctic climate. Our simulations show that the regional coupled ocean–atmosphere model is sensitive to the choice of the modelled area. The different model configurations reproduce differently both the mean climate and its variability. Only two out of five model setups were able to reproduce the Arctic climate as observed under recent climate conditions (ERA-40 Reanalysis. Evidence is found that the main source of uncertainty for Arctic climate variability and its predictability is the North Pacific. The prescription of North Pacific conditions in the regional model leads to significant correlation with observations, even if the whole North Atlantic is within the coupled model domain. However, the inclusion of the
North Pacific Mesoscale Coupled Air-Ocean Simulations Compared with Observations
Energy Technology Data Exchange (ETDEWEB)
Koracin, Darko; Cerovecki, Ivana; Vellore, Ramesh; Mejia, John; Hatchett, Benjamin; McCord, Travis; McLean, Julie; Dorman, Clive
2013-04-11
Executive summary The main objective of the study was to investigate atmospheric and ocean interaction processes in the western Pacific and, in particular, effects of significant ocean heat loss in the Kuroshio and Kuroshio Extension regions on the lower and upper atmosphere. It is yet to be determined how significant are these processes are on climate scales. The understanding of these processes led us also to development of the methodology of coupling the Weather and Research Forecasting model with the Parallel Ocean Program model for western Pacific regional weather and climate simulations. We tested NCAR-developed research software Coupler 7 for coupling of the WRF and POP models and assessed its usability for regional-scale applications. We completed test simulations using the Coupler 7 framework, but implemented a standard WRF model code with options for both one- and two-way mode coupling. This type of coupling will allow us to seamlessly incorporate new WRF updates and versions in the future. We also performed a long-term WRF simulation (15 years) covering the entire North Pacific as well as high-resolution simulations of a case study which included extreme ocean heat losses in the Kuroshio and Kuroshio Extension regions. Since the extreme ocean heat loss occurs during winter cold air outbreaks (CAO), we simulated and analyzed a case study of a severe CAO event in January 2000 in detail. We found that the ocean heat loss induced by CAOs is amplified by additional advection from mesocyclones forming on the southern part of the Japan Sea. Large scale synoptic patterns with anomalously strong anticyclone over Siberia and Mongolia, deep Aleutian Low, and the Pacific subtropical ridge are a crucial setup for the CAO. It was found that the onset of the CAO is related to the breaking of atmospheric Rossby waves and vertical transport of vorticity that facilitates meridional advection. The study also indicates that intrinsic parameterization of the surface fluxes
Simulations of the Madden-Julian oscillation in four pairs of coupled and uncoupled global models
Energy Technology Data Exchange (ETDEWEB)
Zhang, Chidong; Dong, Min [RSMAS, University of Miami, Miami, FL (United States); Gualdi, Silvio [National Institute of Geophysics and Volcanology, Bologna (Italy); Hendon, Harry H. [BMRC, Melbourne, VIC (Australia); Maloney, Eric D. [Oregon State University, Corvallis, OR (United States); Marshall, Andrew [Monash University, Melbourne, VIC (Australia); Sperber, Kenneth R. [PCMDI, Lawrence Livermore National Laboratory, Livermore, CA (United States); Wang, Wanqiu [CPC/NCEP/NOAA, Camp Springs, MD (United States)
2006-11-15
The status of the numerical reproduction of the Madden-Julian Oscillation (MJO) by current global models was assessed through diagnoses of four pairs of coupled and uncoupled simulations. Slow eastward propagation of the MJO, especially in low-level zonal wind, is realistic in all these simulations. However, the simulated MJO suffers from several common problems. The MJO signal in precipitation is generally too weak and often eroded by an unrealistic split of an equatorial maximum of precipitation into a double ITCZ structure over the western Pacific. The MJO signal in low-level zonal wind, on the other hand, is sometimes too strong over the eastern Pacific but too weak over the Indian Ocean. The observed phase relationship between precipitation and low-level zonal wind associated with the MJO in the western Pacific and their coherence in general are not reproduced by the models. The seasonal migration in latitude of MJO activity is missing in most simulations. Air-sea coupling generally strengthens the simulated eastward propagating signal, but its effects on the phase relationship and coherence between precipitation and low-level zonal wind, and on their geographic distributions, seasonal cycles, and interannual variability are inconsistent among the simulations. Such inconsistency cautions generalization of results from MJO simulations using a single model. In comparison to observations, biases in the simulated MJO appear to be related to biases in the background state of mean precipitation, low-level zonal wind, and boundary-layer moisture convergence. This study concludes that, while the realistic simulations of the eastward propagation of the MJO are encouraging, reproducing other fundamental features of the MJO by current global models remains an unmet challenge. (orig.)
Coupled multi-physics simulation frameworks for reactor simulation: A bottom-up approach
International Nuclear Information System (INIS)
Tautges, Timothy J.; Caceres, Alvaro; Jain, Rajeev; Kim, Hong-Jun; Kraftcheck, Jason A.; Smith, Brandon M.
2011-01-01
A 'bottom-up' approach to multi-physics frameworks is described, where first common interfaces to simulation data are developed, then existing physics modules are adapted to communicate through those interfaces. Physics modules read and write data through those common interfaces, which also provide access to common simulation services like parallel IO, mesh partitioning, etc.. Multi-physics codes are assembled as a combination of physics modules, services, interface implementations, and driver code which coordinates calling these various pieces. Examples of various physics modules and services connected to this framework are given. (author)
Coupling of WRF and Building-resolved CFD Simulations for Greenhouse Gas Transport and Dispersion
Prasad, K.; Hu, H.; McDermott, R.; Lopez-Coto, I.; Davis, K. J.; Whetstone, J. R.; Lauvaux, T.
2014-12-01
The Indianapolis Flux Experiment (INFLUX) aims to use a top-down inversion methodology to quantify sources of Greenhouse Gas (GHG) emissions over an urban domain with high spatial and temporal resolution. Atmospheric transport of tracer gases from an emission source to a tower mounted receptor are usually conducted using the Weather Research and Forecasting (WRF) model. WRF is used extensively in the atmospheric community to simulate mesoscale atmospheric transport. For such simulations, WRF employs a parameterized turbulence model and does not resolve the fine scale dynamics that are generated by the flow around buildings and communities that are part of a large city. Since the model domain includes the city of Indianapolis, much of the flow of interest is over an urban topography. The NIST Fire Dynamics Simulator (FDS) is a computational fluid dynamics model to perform large eddy simulations of flow around buildings, but it has not been nested within a larger-scale atmospheric transport model such as WRF. FDS has the potential to evaluate the impact of complex urban topography on near-field dispersion and mixing that cannot be simulated with a mesoscale atmospheric model, and which may be important to determining urban GHG emissions using atmospheric measurements. A methodology has been developed to run FDS as a sub-grid scale model within a WRF simulation. The coupling is based on nudging the FDS flow field towards the one computed by WRF, and is currently limited to one way coupling performed in an off-line mode. Using the coupled WRF / FDS model, NIST will investigate the effects of the urban canopy at horizontal resolutions of 2-10 m. The coupled WRF-FDS simulations will be used to calculate the dispersion of tracer gases in an urban domain and to evaluate the upwind areas that contribute to tower observations, referred to in the inversion community as influence functions. Predicted mixing ratios will be compared with tower measurements and WRF simulations
Directory of Open Access Journals (Sweden)
I. Ahmed
2012-09-01
Full Text Available Maxwell and Schrödinger equations are coupled to incorporate quantum effects for the simulation of plasmonics nanodevices. Maxwell equations with Lorentz-Drude (LD dispersive model are applied to large size plasmonics components, whereas coupled Maxwell and Schrödinger equations are applied to components where quantum effects are needed. The finite difference time domain method (FDTD is applied to simulate these coupled equations.
International Nuclear Information System (INIS)
Bertolotto, D.
2011-11-01
The current doctoral research is focused on the development and validation of a coupled computational tool, to combine the advantages of computational fluid dynamics (CFD) in analyzing complex flow fields and of state-of-the-art system codes employed for nuclear power plant (NPP) simulations. Such a tool can considerably enhance the analysis of NPP transient behavior, e.g. in the case of pressurized water reactor (PWR) accident scenarios such as Main Steam Line Break (MSLB) and boron dilution, in which strong coolant flow asymmetries and multi-dimensional mixing effects strongly influence the reactivity of the reactor core, as described in Chap. 1. To start with, a literature review on code coupling is presented in Chap. 2, together with the corresponding ongoing projects in the international community. Special reference is made to the framework in which this research has been carried out, i.e. the Paul Scherrer Institute's (PSI) project STARS (Steady-state and Transient Analysis Research for the Swiss reactors). In particular, the codes chosen for the coupling, i.e. the CFD code ANSYS CFX V11.0 and the system code US-NRC TRACE V5.0, are part of the STARS codes system. Their main features are also described in Chap. 2. The development of the coupled tool, named CFX/TRACE from the names of the two constitutive codes, has proven to be a complex and broad-based task, and therefore constraints had to be put on the target requirements, while keeping in mind a certain modularity to allow future extensions to be made with minimal efforts. After careful consideration, the coupling was defined to be on-line, parallel and with non-overlapping domains connected by an interface, which was developed through the Parallel Virtual Machines (PVM) software, as described in Chap. 3. Moreover, two numerical coupling schemes were implemented and tested: a sequential explicit scheme and a sequential semi-implicit scheme. Finally, it was decided that the coupling would be single
Gnoffo, Peter A.; Johnston, Christopher O.; Thompson, Richard A.
2009-01-01
A description of models and boundary conditions required for coupling radiation and ablation physics to a hypersonic flow simulation is provided. Chemical equilibrium routines for varying elemental mass fraction are required in the flow solver to integrate with the equilibrium chemistry assumption employed in the ablation models. The capability also enables an equilibrium catalytic wall boundary condition in the non-ablating case. The paper focuses on numerical implementation issues using FIRE II, Mars return, and Apollo 4 applications to provide context for discussion. Variable relaxation factors applied to the Jacobian elements of partial equilibrium relations required for convergence are defined. Challenges of strong radiation coupling in a shock capturing algorithm are addressed. Results are presented to show how the current suite of models responds to a wide variety of conditions involving coupled radiation and ablation.
Numerical simulation of interior ballistic process of railgun based on the multi-field coupled model
Directory of Open Access Journals (Sweden)
Qinghua Lin
2016-04-01
Full Text Available Railgun launcher design relies on appropriate models. A multi-field coupled model of railgun launcher was presented in this paper. The 3D transient multi-field was composed of electromagnetic field, thermal field and structural field. The magnetic diffusion equations were solved by a finite-element boundary-element coupling method. The thermal diffusion equations and structural equations were solved by a finite element method. A coupled calculation was achieved by the transfer data from the electromagnetic field to the thermal and structural fields. Some characteristics of railgun shot, such as velocity skin effect, melt-wave erosion and magnetic sawing, which are generated under the condition of large-current and high-speed sliding electrical contact, were demonstrated by numerical simulation.
Klein, Andreas; Gerlach, Gerald
1998-09-01
This paper deals with the simulation of the fluid-structure interaction phenomena in micropumps. The proposed solution approach is based on external coupling of two different solvers, which are considered here as `black boxes'. Therefore, no specific intervention is necessary into the program code, and solvers can be exchanged arbitrarily. For the realization of the external iteration loop, two algorithms are considered: the relaxation-based Gauss-Seidel method and the computationally more extensive Newton method. It is demonstrated in terms of a simplified test case, that for rather weak coupling, the Gauss-Seidel method is sufficient. However, by simply changing the considered fluid from air to water, the two physical domains become strongly coupled, and the Gauss-Seidel method fails to converge in this case. The Newton iteration scheme must be used instead.
Fully coupled numerical simulation of fire in tunnels: From fire scenario to structural response
Directory of Open Access Journals (Sweden)
Pesavento F.
2013-09-01
Full Text Available In this paper we present an efficient tool for simulation of a fire scenario in a tunnel. The strategy adopted is based on a 3D-2D coupling technique between the fluid domain and the solid one. So, the thermally driven CFD part is solved in a three dimensional cavity i.e. the tunnel, and the concrete part is solved on 2D sections normal to the tunnel axis, at appropriate intervals. The heat flux and temperature values, which serve as coupling terms between the fluid and the structural problem, are interpolated between the sections. Between the solid and the fluid domain an interface layer is created for the calculation of the heat flux exchange based on a “wall law”. In the analysis of the concrete structures, concrete is treated as a multiphase porous material. Some examples of application of this fully coupled tool will be shown.
Stošić, Dušan; Auroux, Aline
Basic principles of calorimetry coupled with other techniques are introduced. These methods are used in heterogeneous catalysis for characterization of acidic, basic and red-ox properties of solid catalysts. Estimation of these features is achieved by monitoring the interaction of various probe molecules with the surface of such materials. Overview of gas phase, as well as liquid phase techniques is given. Special attention is devoted to coupled calorimetry-volumetry method. Furthermore, the influence of different experimental parameters on the results of these techniques is discussed, since it is known that they can significantly influence the evaluation of catalytic properties of investigated materials.
Simulation and experiment on the thermal performance of U-vertical ground coupled heat exchanger
Energy Technology Data Exchange (ETDEWEB)
Li, Xinguo; Chen, Zhihao; Zhao, Jun [Department of Thermal Engineering, School of Mechanical Engineering, Tianjin University, Tianjin 300072 (China)
2006-10-15
This paper presented both the numerical simulations and experiments on the thermal performance of U-vertical ground coupled heat exchanger (UGCHE). The variation of the ground temperature and heat balance of the system were analyzed and compared in different operation modes in the numerical simulation. Experiments on the operation performance of the ground-coupled heat pump (GCHP) with the UGCHE were carried out. It shows that the ground source can be used as the heat source/sink for GCHP systems to have higher efficiency in saving energy. To preserve the ground resource for the sustainable utilization as heat source/sink, the heat emitted to ground and heat extracted from ground should be balanced. (author)
Comparison of coupled and uncoupled load simulations on a jacket support structure
DEFF Research Database (Denmark)
Haselbach, Philipp Ulrich; Natarajan, Anand; Jiwinangun, Randi Gusto
2013-01-01
In this article, a comparison of the moments and forces at the joints of a jacket structure is made between fully coupled aerohydroelastic simulations in HAWC2 and uncoupled load predictions in the finite element software Abaqus. The jacket sub structure is modelled in moderate deep waters of 50m...... structure similar to the Upwind reference jacket is developed in the Abaqus environment, to which is added the transition piece and tower. The aeroelastic loads determined in normal operating conditions of the turbine is integrated and centralized as nodal forces and moments acting at the tower top...... in Abaqus. The fully coupled simulation is implemented and performed in HAWC2. In the uncoupled case, the loads (wave loads and tower base loads) are analysed by an implicit structural Finite Element Analysis (Abaqus 6.11-1). A subroutine is used as a preprocessor generating a beam element model and linking...
Final Report. Coupled simulations of Antarctic Ice-sheet/ocean interactions using POP and CISM
Energy Technology Data Exchange (ETDEWEB)
Asay-Davis, Xylar Storm [Potsdam Institute for Climate Impact Research, Potdam (Germany)
2015-12-30
The project performed under this award, referred to from here on as CLARION (CoupLed simulations of Antarctic Ice-sheet/Ocean iNteractions), included important advances in two models of ice sheet and ocean interactions. Despite its short duration (one year), the project made significant progress on its three major foci. First, together with collaborator Daniel Martin at Lawrence Berkeley National Laboratory (LBNL), I developed the POPSICLES coupled ice sheet-ocean model to the point where it could perform a number of pan-Antarctic simulations under various forcing conditions. The results were presented at a number of major conferences and workshops worldwide, and are currently being incorporated into two manuscripts in preparation.
A simulation study of linear coupling effects and their correction in RHIC
International Nuclear Information System (INIS)
Parzen, G.
1993-01-01
This paper describes a possible skew quadrupole correction system for linear coupling effects for the RHIC92 lattice. A simulation study has been done for this correction system. Results are given for the performance of the correction system and the required strength of the skew quadrupole corrections. The location of the correctors is discussed. For RHIC92, it appears possible to use the same 2 family correction system for all the likely choices of β*. The simulation study gives results for the residual tune splitting that remains after correction with a 2 family correction system. It also gives results for the beta functions before and after correction
Coupling impedance of an in-vacuum undulator: Measurement, simulation, and analytical estimation
Directory of Open Access Journals (Sweden)
Victor Smaluk
2014-07-01
Full Text Available One of the important issues of the in-vacuum undulator design is the coupling impedance of the vacuum chamber, which includes tapered transitions with variable gap size. To get complete and reliable information on the impedance, analytical estimate, numerical simulations and beam-based measurements have been performed at Diamond Light Source, a forthcoming upgrade of which includes introducing additional insertion device (ID straights. The impedance of an already existing ID vessel geometrically similar to the new one has been measured using the orbit bump method. The measurement results in comparison with analytical estimations and numerical simulations are discussed in this paper.
Coupling impedance of an in-vacuum undulator: Measurement, simulation, and analytical estimation
Smaluk, Victor; Fielder, Richard; Blednykh, Alexei; Rehm, Guenther; Bartolini, Riccardo
2014-07-01
One of the important issues of the in-vacuum undulator design is the coupling impedance of the vacuum chamber, which includes tapered transitions with variable gap size. To get complete and reliable information on the impedance, analytical estimate, numerical simulations and beam-based measurements have been performed at Diamond Light Source, a forthcoming upgrade of which includes introducing additional insertion device (ID) straights. The impedance of an already existing ID vessel geometrically similar to the new one has been measured using the orbit bump method. The measurement results in comparison with analytical estimations and numerical simulations are discussed in this paper.
Neutronic/Thermal-hydraulic Coupling Technigues for Sodium Cooled Fast Reactor Simulations
International Nuclear Information System (INIS)
Ragusa, Jean; Siegel, Andrew; Ruggieri, Jean-Michel
2010-01-01
The objective of this project was to test new coupling algorithms and enable efficient and scalable multi-physics simulations of advanced nuclear reactors, with considerations regarding the implementation of such algorithms in massively parallel environments. Numerical tests were carried out to verify the proposed approach and the examples included some reactor transients. The project was directly related to the Sodium Fast Reactor program element of the Generation IV Nuclear Energy Systems Initiative and the Advanced Fuel cycle Initiative, and, supported the requirement of high-fidelity simulation as a mean of achieving the goals of the presidential Global Nuclear Energy Partnership (GNEP) vision.
Neutronic/Thermalhydraulic Coupling Technigues for Sodium Cooled Fast Reactor Simulations
Energy Technology Data Exchange (ETDEWEB)
Jean Ragusa; Andrew Siegel; Jean-Michel Ruggieri
2010-09-28
The objective of this project was to test new coupling algorithms and enable efficient and scalable multi-physics simulations of advanced nuclear reactors, with considerations regarding the implementation of such algorithms in massively parallel environments. Numerical tests were carried out to verify the proposed approach and the examples included some reactor transients. The project was directly related to the Sodium Fast Reactor program element of the Generation IV Nuclear Energy Systems Initiative and the Advanced Fuel cycle Initiative, and, supported the requirement of high-fidelity simulation as a mean of achieving the goals of the presidential Global Nuclear Energy Partnership (GNEP) vision.
Viscosity calculated in simulations of strongly coupled dusty plasmas with gas friction
International Nuclear Information System (INIS)
Feng Yan; Goree, J.; Liu Bin
2011-01-01
A two-dimensional strongly coupled dusty plasma is modeled using Langevin and frictionless molecular dynamical simulations. The static viscosity η and the wave-number-dependent viscosity η(k) are calculated from the microscopic shear in the random motion of particles. A recently developed method of calculating the wave-number-dependent viscosity η(k) is validated by comparing the results of η(k) from the two simulations. It is also verified that the Green-Kubo relation can still yield an accurate measure of the static viscosity η in the presence of a modest level of friction as in dusty plasma experiments.
Liu, Jianjun; Song, Rui; Cui, Mengmeng
2014-01-01
A novel approach of simulating hydromechanical coupling in pore-scale models of porous media is presented in this paper. Parameters of the sandstone samples, such as the stress-strain curve, Poisson's ratio, and permeability under different pore pressure and confining pressure, are tested in laboratory scale. The micro-CT scanner is employed to scan the samples for three-dimensional images, as input to construct the model. Accordingly, four physical models possessing the same pore and rock matrix characteristics as the natural sandstones are developed. Based on the micro-CT images, the three-dimensional finite element models of both rock matrix and pore space are established by MIMICS and ICEM software platform. Navier-Stokes equation and elastic constitutive equation are used as the mathematical model for simulation. A hydromechanical coupling analysis in pore-scale finite element model of porous media is simulated by ANSYS and CFX software. Hereby, permeability of sandstone samples under different pore pressure and confining pressure has been predicted. The simulation results agree well with the benchmark data. Through reproducing its stress state underground, the prediction accuracy of the porous rock permeability in pore-scale simulation is promoted. Consequently, the effects of pore pressure and confining pressure on permeability are revealed from the microscopic view. PMID:24955384
Simulating streamflow and water table depth with a coupled hydrological model
Directory of Open Access Journals (Sweden)
Alphonce Chenjerayi Guzha
2010-09-01
Full Text Available A coupled model integrating MODFLOW and TOPNET with the models interacting through the exchange of recharge and baseflow and river-aquifer interactions was developed and applied to the Big Darby Watershed in Ohio, USA. Calibration and validation results show that there is generally good agreement between measured streamflow and simulated results from the coupled model. At two gauging stations, average goodness of fit (R2, percent bias (PB, and Nash Sutcliffe efficiency (ENS values of 0.83, 11.15%, and 0.83, respectively, were obtained for simulation of streamflow during calibration, and values of 0.84, 8.75%, and 0.85, respectively, were obtained for validation. The simulated water table depths yielded average R2 values of 0.77 and 0.76 for calibration and validation, respectively. The good match between measured and simulated streamflows and water table depths demonstrates that the model is capable of adequately simulating streamflows and water table depths in the watershed and also capturing the influence of spatial and temporal variation in recharge.
Simulating High Flux Isotope Reactor Core Thermal-Hydraulics via Interdimensional Model Coupling
Energy Technology Data Exchange (ETDEWEB)
Travis, Adam R [ORNL
2014-05-01
A coupled interdimensional model is presented for the simulation of the thermal-hydraulic characteristics of the High Flux Isotope Reactor core at Oak Ridge National Laboratory. The model consists of two domains a solid involute fuel plate and the surrounding liquid coolant channel. The fuel plate is modeled explicitly in three-dimensions. The coolant channel is approximated as a twodimensional slice oriented perpendicular to the fuel plate s surface. The two dimensionally-inconsistent domains are linked to one another via interdimensional model coupling mechanisms. The coupled model is presented as a simplified alternative to a fully explicit, fully three-dimensional model. Involute geometries were constructed in SolidWorks. Derivations of the involute construction equations are presented. Geometries were then imported into COMSOL Multiphysics for simulation and modeling. Both models are described in detail so as to highlight their respective attributes in the 3D model, the pursuit of an accurate, reliable, and complete solution; in the coupled model, the intent to simplify the modeling domain as much as possible without affecting significant alterations to the solution. The coupled model was created with the goal of permitting larger portions of the reactor core to be modeled at once without a significant sacrifice to solution integrity. As such, particular care is given to validating incorporated model simplifications. To the greatest extent possible, the decrease in solution time as well as computational cost are quantified versus the effects such gains have on the solution quality. A variant of the coupled model which sufficiently balances these three solution characteristics is presented alongside the more comprehensive 3D model for comparison and validation.
Coupled full core neutron transport/CFD simulations of pressurized water reactors
International Nuclear Information System (INIS)
Kochunas, B.; Stimpson, S.; Collins, B.; Downar, T.; Brewster, R.; Baglietto, E.; Yan, J.
2012-01-01
Recently as part of the CASL project, a capability to perform 3D whole-core coupled neutron transport and computational fluid dynamics (CFD) calculations was demonstrated. This work uses the 2D/1D transport code DeCART and the commercial CFD code STAR-CCM+. It builds on previous CASL work demonstrating coupling for smaller spatial domains. The coupling methodology is described along with the problem simulated and results are presented for fresh hot full power conditions. An additional comparison is made to an equivalent model that uses lower order T/H feedback to assess the importance and cost of high fidelity feedback to the neutronics problem. A simulation of a quarter core Combustion Engineering (CE) PWR core was performed with the coupled codes using a Fixed Point Gauss-Seidel iteration technique. The total approximate calculation requirements are nearly 10,000 CPU hours and 1 TB of memory. The problem took 6 coupled iterations to converge. The CFD coupled model and low order T/H feedback model compared well for global solution parameters, with a difference in the critical boron concentration and average outlet temperature of 14 ppm B and 0.94 deg. C, respectively. Differences in the power distribution were more significant with maximum relative differences in the core-wide pin peaking factor (Fq) of 5.37% and average relative differences in flat flux region power of 11.54%. Future work will focus on analyzing problems more relevant to CASL using models with less approximations. (authors)
Proof-of-principle of high-fidelity coupled CRUD deposition and cycle depletion simulation
International Nuclear Information System (INIS)
Walter, Daniel J.; Kendrick, Brian K.; Petrov, Victor; Manera, Annalisa; Collins, Benjamin; Downar, Thomas
2015-01-01
A multiphysics framework for the high-fidelity simulation of CRUD deposition is developed to better understand the coupled physics and their respective feedback mechanisms. This framework includes the primary physics of lattice depletion, computational fluid dynamics, and CRUD chemistry. The three physics are coupled together via the operator-splitting technique, where predictor–corrector and fixed-point iteration schemes are utilized to converge the nonlinear solution. High-fidelity simulations may provide a means to predict and assess potential operating issues, including CRUD induced power shift and CRUD induced localized corrosion, known as CIPS and CILC, respectively. As a proof-of-principle, a coupled 500-day cycle depletion simulation of a pressurized water reactor fuel pin cell was performed using the coupled code suite; a burnup of 31 MWd/kgHM was reached. The simulation recreated the classic striped CRUD pattern often seen on pulled fuel rods containing CRUD. It is concluded that the striping is caused by the flow swirl induced by spacer grid mixing vanes. Two anti-correlated effects contribute to the striping: (1) the flow swirl yields significant azimuthal temperature variations, which impact the locations where CRUD deposits, and (2) the flow swirl is correlated to increased shear stress along the cladding surface and subsequent erosion of the CRUD layer. The CIPS condition of the core is concluded to be primarily controlled by lithium tetraborate precipitation, referred to as boron hideout, which occurs in regions experiencing subcooled nucleate boiling as soluble boron and lithium species reach their solubility limit within the CRUD layer. Subsequently, a localized reduction in power occurs due to the high neutron absorption cross section of boron-10
Nuclear reactor multi-physics simulations with coupled MCNP5 and STAR-CCM+
International Nuclear Information System (INIS)
Cardoni, Jeffrey Neil; Rizwan-uddin
2011-01-01
The MCNP5 Monte Carlo particle transport code has been coupled to the computational fluid dynamics code, STAR-CCM+, to provide a high fidelity multi-physics simulation tool for pressurized water nuclear reactors. The codes are executed separately and coupled externally through a Perl script. The Perl script automates the exchange of temperature, density, and volumetric heating information between the codes using ASCII text data files. Fortran90 and Java utility programs assist job automation with data post-processing and file management. The MCNP5 utility code, MAKXSF, pre-generates temperature dependent cross section libraries for the thermal feedback calculations. The MCNP5–STAR-CCM+ coupled simulation tool, dubbed MULTINUKE, was applied to a steady state, PWR cell model to demonstrate its usage and capabilities. The demonstration calculation showed reasonable results that agree with PWR values typically reported in literature. Temperature and fission reaction rate distributions were realistic and intuitive. Reactivity coefficients were also deemed reasonable in comparison to historically reported data. The demonstration problem consisted of 9,984 CFD cells and 7,489 neutronic cells. MCNP5 tallied fission energy deposition over 3,328 UO_2 cells. The coupled solution converged within eight hours and in three MULTINUKE iterations. The simulation was carried out on a 64 bit, quad core, Intel 2.8 GHz microprocessor with 1 GB RAM. The simulations on a quad core machine indicated that a massively parallelized implementation of MULTINUKE can be used to assess larger multi-million cell models. (author)
Omens of coupled model biases in the CMIP5 AMIP simulations
Găinuşă-Bogdan, Alina; Hourdin, Frédéric; Traore, Abdoul Khadre; Braconnot, Pascale
2018-02-01
Despite decades of efforts and improvements in the representation of processes as well as in model resolution, current global climate models still suffer from a set of important, systematic biases in sea surface temperature (SST), not much different from the previous generation of climate models. Many studies have looked at errors in the wind field, cloud representation or oceanic upwelling in coupled models to explain the SST errors. In this paper we highlight the relationship between latent heat flux (LH) biases in forced atmospheric simulations and the SST biases models develop in coupled mode, at the scale of the entire intertropical domain. By analyzing 22 pairs of forced atmospheric and coupled ocean-atmosphere simulations from the CMIP5 database, we show a systematic, negative correlation between the spatial patterns of these two biases. This link between forced and coupled bias patterns is also confirmed by two sets of dedicated sensitivity experiments with the IPSL-CM5A-LR model. The analysis of the sources of the atmospheric LH bias pattern reveals that the near-surface wind speed bias dominates the zonal structure of the LH bias and that the near-surface relative humidity dominates the east-west contrasts.
Full Coupling Between the Atmosphere, Surface, and Subsurface for Integrated Hydrologic Simulation
Davison, Jason Hamilton; Hwang, Hyoun-Tae; Sudicky, Edward A.; Mallia, Derek V.; Lin, John C.
2018-01-01
An ever increasing community of earth system modelers is incorporating new physical processes into numerical models. This trend is facilitated by advancements in computational resources, improvements in simulation skill, and the desire to build numerical simulators that represent the water cycle with greater fidelity. In this quest to develop a state-of-the-art water cycle model, we coupled HydroGeoSphere (HGS), a 3-D control-volume finite element surface and variably saturated subsurface flow model that includes evapotranspiration processes, to the Weather Research and Forecasting (WRF) Model, a 3-D finite difference nonhydrostatic mesoscale atmospheric model. The two-way coupled model, referred to as HGS-WRF, exchanges the actual evapotranspiration fluxes and soil saturations calculated by HGS to WRF; conversely, the potential evapotranspiration and precipitation fluxes from WRF are passed to HGS. The flexible HGS-WRF coupling method allows for unique meshes used by each model, while maintaining mass and energy conservation between the domains. Furthermore, the HGS-WRF coupling implements a subtime stepping algorithm to minimize computational expense. As a demonstration of HGS-WRF's capabilities, we applied it to the California Basin and found a strong connection between the depth to the groundwater table and the latent heat fluxes across the land surface.
Voelker, C; Alsaad, H
2018-05-01
This study aims to develop an approach to couple a computational fluid dynamics (CFD) solver to the University of California, Berkeley (UCB) thermal comfort model to accurately evaluate thermal comfort. The coupling was made using an iterative JavaScript to automatically transfer data for each individual segment of the human body back and forth between the CFD solver and the UCB model until reaching convergence defined by a stopping criterion. The location from which data are transferred to the UCB model was determined using a new approach based on the temperature difference between subsequent points on the temperature profile curve in the vicinity of the body surface. This approach was used because the microclimate surrounding the human body differs in thickness depending on the body segment and the surrounding environment. To accurately simulate the thermal environment, the numerical model was validated beforehand using experimental data collected in a climate chamber equipped with a thermal manikin. Furthermore, an example of the practical implementations of this coupling is reported in this paper through radiant floor cooling simulation cases, in which overall and local thermal sensation and comfort were investigated using the coupled UCB model. © 2018 John Wiley & Sons A/S. Published by John Wiley & Sons Ltd.
Unsteady adjoint for large eddy simulation of a coupled turbine stator-rotor system
Talnikar, Chaitanya; Wang, Qiqi; Laskowski, Gregory
2016-11-01
Unsteady fluid flow simulations like large eddy simulation are crucial in capturing key physics in turbomachinery applications like separation and wake formation in flow over a turbine vane with a downstream blade. To determine how sensitive the design objectives of the coupled system are to control parameters, an unsteady adjoint is needed. It enables the computation of the gradient of an objective with respect to a large number of inputs in a computationally efficient manner. In this paper we present unsteady adjoint solutions for a coupled turbine stator-rotor system. As the transonic fluid flows over the stator vane, the boundary layer transitions to turbulence. The turbulent wake then impinges on the rotor blades, causing early separation. This coupled system exhibits chaotic dynamics which causes conventional adjoint solutions to diverge exponentially, resulting in the corruption of the sensitivities obtained from the adjoint solutions for long-time simulations. In this presentation, adjoint solutions for aerothermal objectives are obtained through a localized adjoint viscosity injection method which aims to stabilize the adjoint solution and maintain accurate sensitivities. Preliminary results obtained from the supercomputer Mira will be shown in the presentation.
Simulations and measurements of coupling impedance for modern particle accelerator devices
AUTHOR|(CDS)2158523; Biancacci, Nicolò; Mostacci, Andrea
In this document it has been treated the study of the coupling impedance in modern devices, already installed or not, in different particle accelerators. In the specific case: • For a device in-phase of project, several simulations for impedance calculation have been done. • For a component already realized and used, measurements of coupling impedance value have been done. Simulations are used to determine the impact of the interconnect between to magnets, designed for the future particle accelerator FCC, on the overall impedance of the machine which is about 100 km long. In particular has been done a check between theory, simulations and measurements of components already built, allowing a better and deeper study of the component we have analysed. Controls that probably will be helpful to have a clear guideline in future works. The measurements instead concern in an existing component that was already used in LHC, the longest particle accelerator ever realised on the planet, 27 km long. The coupling impe...
Simulation of Water Level Fluctuations in a Hydraulic System Using a Coupled Liquid-Gas Model
Directory of Open Access Journals (Sweden)
Chao Wang
2015-08-01
Full Text Available A model for simulating vertical water level fluctuations with coupled liquid and gas phases is presented. The Preissmann implicit scheme is used to linearize the governing equations for one-dimensional transient flow for both liquid and gas phases, and the linear system is solved using the chasing method. Some classical cases for single liquid and gas phase transients in pipelines and networks are studied to verify that the proposed methods are accurate and reliable. The implicit scheme is extended using a dynamic mesh to simulate the water level fluctuations in a U-tube and an open surge tank without consideration of the gas phase. Methods of coupling liquid and gas phases are presented and used for studying the transient process and interaction between the phases, for gas phase limited in a chamber and gas phase transported in a pipeline. In particular, two other simplified models, one neglecting the effect of the gas phase on the liquid phase and the other one coupling the liquid and gas phases asynchronously, are proposed. The numerical results indicate that the asynchronous model performs better, and are finally applied to a hydropower station with surge tanks and air shafts to simulate the water level fluctuations and air speed.
Energy Technology Data Exchange (ETDEWEB)
Draxl, C.; Churchfield, M.; Mirocha, J.; Lee, S.; Lundquist, J.; Michalakes, J.; Moriarty, P.; Purkayastha, A.; Sprague, M.; Vanderwende, B.
2014-06-01
Wind plant aerodynamics are influenced by a combination of microscale and mesoscale phenomena. Incorporating mesoscale atmospheric forcing (e.g., diurnal cycles and frontal passages) into wind plant simulations can lead to a more accurate representation of microscale flows, aerodynamics, and wind turbine/plant performance. Our goal is to couple a numerical weather prediction model that can represent mesoscale flow [specifically the Weather Research and Forecasting model] with a microscale LES model (OpenFOAM) that can predict microscale turbulence and wake losses.
Simulation of LOCA power transients of CANDU6 by SCAN/RELAP-CANDU coupled code system
International Nuclear Information System (INIS)
Hong, In Seob; Kim, Chang Hyo; Hwang, Su Hyun; Kim, Man Woong; Chung, Bub Dong
2004-01-01
As can be seen in the standalone application of RELAP-CANDU for LOCA analysis of CANDU-PHWR, the system thermal-hydraulic code alone cannot predict the transient behavior accurately. Therefore, best estimate neutronics and system thermal-hydraulic coupled code system is necessary to describe the transient behavior with higher accuracy and reliability. The purpose of this research is to develop and test a coupled neutronics and thermal-hydraulics analysis code, SCAN (SNU CANDU-PHWR Neutronics) and RELAP-CANDU, for transient analysis of CANDU-PHWR's. For this purpose, a spatial kinetics calculation module of SCAN, a 3-D CANDU-PHWR neutronics design and analysis code, is dynamically coupled with RELAP-CANDU, the system thermal-hydraulic code for CANDU-PHWR. The performance of the coupled code system is examined by simulation of reactor power transients caused by a hypothetical Loss Of Coolant Accident (LOCA) in Wolsong units, which involves the insertion of positive void reactivity into the core in the course of transients. Specifically, a 40% Reactor Inlet Header (RIH) break LOCA was assumed for the test of the SCAN/RELAP-CANDU coupled code system analysis
International Nuclear Information System (INIS)
Waltz, R. E.; Candy, J.; Fahey, M.
2007-01-01
Electron temperature gradient (ETG) transport is conventionally defined as the electron energy transport at high wave number (high-k) where ions are adiabatic and there can be no ion energy or plasma transport. Previous gyrokinetic simulations have assumed adiabatic ions (ETG-ai) and work on the small electron gyroradius scale. However such ETG-ai simulations with trapped electrons often do not have well behaved nonlinear saturation unless fully kinetic ions (ki) and proper ion scale zonal flow modes are included. Electron energy transport is separated into ETG-ki at high-k and ion temperature gradient-trapped electron mode (ITG/TEM) at low-k. Expensive (more computer-intensive), high-resolution, large-ion-scale flux-tube simulations coupling ITG/TEM and ETG-ki turbulence are presented. These require a high effective Reynolds number R≡[k(max)/k(min)] 2 =μ 2 , where μ=[ρ si /ρ si ] is the ratio of ion to electron gyroradii. Compute times scale faster than μ 3 . By comparing the coupled expensive simulations with (1) much cheaper (less compute-intensive), uncoupled, high-resolution, small, flux-tube ETG-ki and with (2) uncoupled low-resolution, large, flux-tube ITG/TEM simulations, and also by artificially turning ''off'' the low-k or high-k drives, it appears that ITG/TEM and ETG-ki transport are not strongly coupled so long as ETG-ki can access some nonadiabatic ion scale zonal flows and both high-k and low-k are linearly unstable. However expensive coupled simulations are required for physically accurate k-spectra of the transport and turbulence. Simulations with μ≥30 appear to represent the physical range μ>40. ETG-ki transport measured in ion gyro-Bohm units is weakly dependent on μ. For the mid-radius core tokamak plasma parameters studied, ETG-ki is about 10% of the electron energy transport, which in turn is about 30% of the total energy transport (with negligible ExB shear). However at large ExB shear sufficient to quench the low-k ITG
Volumetric BOLD fMRI simulation: from neurovascular coupling to multivoxel imaging
International Nuclear Information System (INIS)
Chen, Zikuan; Calhoun, Vince
2012-01-01
The blood oxygenation-level dependent (BOLD) functional magnetic resonance imaging (fMRI) modality has been numerically simulated by calculating single voxel signals. However, the observation on single voxel signals cannot provide information regarding the spatial distribution of the signals. Specifically, a single BOLD voxel signal simulation cannot answer the fundamental question: is the magnetic resonance (MR) image a replica of its underling magnetic susceptibility source? In this paper, we address this problem by proposing a multivoxel volumetric BOLD fMRI simulation model and a susceptibility expression formula for linear neurovascular coupling process, that allow us to examine the BOLD fMRI procedure from neurovascular coupling to MR image formation. Since MRI technology only senses the magnetism property, we represent a linear neurovascular-coupled BOLD state by a magnetic susceptibility expression formula, which accounts for the parameters of cortical vasculature, intravascular blood oxygenation level, and local neuroactivity. Upon the susceptibility expression of a BOLD state, we carry out volumetric BOLD fMRI simulation by calculating the fieldmap (established by susceptibility magnetization) and the complex multivoxel MR image (by intravoxel dephasing). Given the predefined susceptibility source and the calculated complex MR image, we compare the MR magnitude (phase, respectively) image with the predefined susceptibility source (the calculated fieldmap) by spatial correlation. The spatial correlation between the MR magnitude image and the magnetic susceptibility source is about 0.90 for the settings of T E = 30 ms, B 0 = 3 T, voxel size = 100 micron, vessel radius = 3 micron, and blood volume fraction = 2%. Using these parameters value, the spatial correlation between the MR phase image and the susceptibility-induced fieldmap is close to 1.00. Our simulation results show that the MR magnitude image is not an exact replica of the magnetic susceptibility
The Numerical Simulation of Coupling Behavior of Soil with Chemical Pollutant Effects
Liu, Z. J.; Li, X. K.; Tang, L. Q.
2010-05-01
The coupling behavior of clay plays a role in the integrity of clay barriers used in landfills. The clay barriers are subjected to mechanical and thermal effects coupled with hydraulic behavior, also, if the leachates become in contact with the clay liner, chemical effects may lead to some drastic changes in the properties of the clay. A numerical method to simulate the coupling behavior of soil with chemical pollutant effects is presented. Within the framework of Gens-Alonso model describing the constitutive behavior of unsaturated clay presented in reference[1], basing on the work of Wu[2] and Hueckel[3], a constitutive model describing the chemo-thermo-hydro-mechanical(CTHM) coupling behavior of clays in contact with a single organic contaminant is presented. The thermical softening and chemical softening is considered in the presented model. The strain arising in the material due to chemical and thermical effects can be decomposed into two parts: elastic expansion and plastic compaction. The chemical effects are described in terms of the mass concentration of the contaminant. The increases in temperature and contaminant concentration cause decreases of the pre-consolidation pressure and the cohesion. The mechanisms are called thermical softening and chemical softening. The presented coupled CTHM constitutive model has been integrated into the coupled thermo-hydro-mechanical mathematical model including contaminant transport in porous media. To solve the equilibrium equations, the grogram of finite element methods is developed with a stagger algorithm. The mechanisms taking place due to the coupling behaviour of the clay with a single contaminant solute are analysed with the presented numerical method.
CORBA and MPI-based 'backbone' for coupling advanced simulation tools
International Nuclear Information System (INIS)
Seydaliev, M.; Caswell, D.
2014-01-01
There is a growing international interest in using coupled, multidisciplinary computer simulations for a variety of purposes, including nuclear reactor safety analysis. Reactor behaviour can be modeled using a suite of computer programs simulating phenomena or predicting parameters that can be categorized into disciplines such as Thermalhydraulics, Neutronics, Fuel, Fuel Channels, Fission Product Release and Transport, Containment and Atmospheric Dispersion, and Severe Accident Analysis. Traditionally, simulations used for safety analysis individually addressed only the behaviour within a single discipline, based upon static input data from other simulation programs. The limitation of using a suite of stand-alone simulations is that phenomenological interdependencies or temporal feedback between the parameters calculated within individual simulations cannot be adequately captured. To remove this shortcoming, multiple computer simulations for different disciplines must exchange data during runtime to address these interdependencies. This article describes the concept of a new framework, which we refer to as the 'Backbone', to provide the necessary runtime exchange of data. The Backbone, currently under development at AECL for a preliminary feasibility study, is a hybrid design using features taken from the Common Object Request Broker Architecture (CORBA), a standard defined by the Object Management Group, and the Message Passing Interface (MPI), a standard developed by a group of researchers from academia and industry. Both have well-tested and efficient implementations, including some that are freely available under the GNU public licenses. The CORBA component enables individual programs written in different languages and running on different platforms within a network to exchange data with each other, thus behaving like a single application. MPI provides the process-to-process intercommunication between these programs. This paper outlines the different CORBA and
Energy Technology Data Exchange (ETDEWEB)
Hartmann, Christoph Oliver
2016-06-13
Coupled Thermal-hydraulic/Neutron-kinetic (TH/NK) simulations of Boiling Water Reactor transients require well validated and accurate simulation tools. The generation of cross-section (XS) libraries, depending on the individual thermal-hydraulic state parameters, is of paramount importance for coupled simulations. Problem-dependent XS-sets for 3D core simulations are being generated mainly by well validated, fast running commercial and user-friendly lattice codes such as CASMO and HELIOS. In this dissertation a computational route, based on the lattice code SCALE6/TRITON, the cross-section interface GenPMAXS, the best-estimate thermal-hydraulic system code TRACE and the core simulator PARCS, for best-estimate simulations of Boiling Water (BWR) transients has been developed and validated. The computational route has been supplemented by a subsequent uncertainty and sensitivity study based on Monte Carlo sampling and propagation of the uncertainties of input parameters to the output (SUSA code). The analysis of a single BWR fuel assembly depletion problem with PARCS using SCALE/TRITON cross-sections has been shown a good agreement with the results obtained with CASMO cross-section sets. However, to compensate the deficiencies of the interface program GenPMAXS, PYTHON scripts had to be developed to incorporate missing data, as the yields of Iodine, Xenon and Promethium, into the cross-section-data sets (PMAXS-format) generated by GenPMAXS from the SCALE/TRITON output. The results of the depletion analysis of a full BWR core with PARCS have indicated the importance of considering history effects, adequate modeling of the reflector region and the control rods, as the PARCS simulations for depleted fuel and all control rods inserted (ARI) differs significantly at the fuel assembly top and bottom. Systematic investigations with the coupled codes TRACE/PARCS have been performed to analyse the core behaviour at different thermal conditions using nuclear data (XS
International Nuclear Information System (INIS)
Tonks, Michael R.; Millett, Paul C.; Nerikar, Pankaj; Du, Shiyu; Andersson, David; Stanek, Christopher R.; Gaston, Derek; Andrs, David; Williamson, Richard
2013-01-01
Fission gas production and evolution significantly impact the fuel performance, causing swelling, a reduction in the thermal conductivity and fission gas release. However, typical empirical models of fuel properties treat each of these effects separately and uncoupled. Here, we couple a fission gas release model to a model of the impact of fission gas on the fuel thermal conductivity. To quantify the specific impact of grain boundary (GB) bubbles on the thermal conductivity, we use atomistic and mesoscale simulations. Atomistic molecular dynamic simulations were employed to determine the GB thermal resistance. These values were then used in mesoscale heat conduction simulations to develop a mechanistic expression for the effective GB thermal resistance of a GB containing gas bubbles, as a function of the percentage of the GB covered by fission gas. The coupled fission gas release and thermal conductivity model was implemented in Idaho National Laboratory’s BISON fuel performance code to model the behavior of a 10-pellet LWR fuel rodlet, showing how the fission gas impacts the UO 2 thermal conductivity. Furthermore, additional BISON simulations were conducted to demonstrate the impact of average grain size on both the fuel thermal conductivity and the fission gas release
Wei, Jiangfeng; Dirmeyer, Paul A.; Yang, Zong-Liang; Chen, Haishan
2017-10-01
Through a series of model simulations with an atmospheric general circulation model coupled to three different land surface models, this study investigates the impacts of land model ensembles and coupled model ensemble on precipitation simulation. It is found that coupling an ensemble of land models to an atmospheric model has a very minor impact on the improvement of precipitation climatology and variability, but a simple ensemble average of the precipitation from three individually coupled land-atmosphere models produces better results, especially for precipitation variability. The generally weak impact of land processes on precipitation should be the main reason that the land model ensembles do not improve precipitation simulation. However, if there are big biases in the land surface model or land surface data set, correcting them could improve the simulated climate, especially for well-constrained regional climate simulations.
Multi-fluid simulations of the coupled solar wind-magnetosphere-ionsphere system
Lyon, J.
2011-12-01
This paper will review recent work done with the multi-fluid version of the Lyon-Fedder-Mobarry (MF-LFM) global MHD simulation code. We will concentrate on O+ outflow from the ionosphere and its importance for magnetosphere-ionosphere (MI) coupling and also the importance of ionospheric conditions in determining the outflow. While the predominant method of coupling between the magnetosphere and ionosphere is electrodynamic, it has become apparent the mass flows from the ionosphere into the magnetosphere can have profound effects on both systems. The earliest models to attempt to incorporate this effect used very crude clouds of plasma near the Earth. The earliest MF-LFM results showed that depending on the details of the outflow - where, how much, how fast - very different magnetospheric responses could be found. Two approaches to causally driven models for the outflow have been developed for use in global simulations, the Polar Wind Outflow Model (PWOM), started at the Univ. of Michigan, and the model used by Bill Lotko and co-workers at Dartmouth. We will give a quick review of this model which is based on the empirical relation between outflow fluence and Poynting flux discovered by Strangeway. An additional factor used in this model is the precipitating flux of electrons, which is presumed to correlate with the scale height of the upwelling ions. parameters such as outflow speed and density are constrained by the total fluence. The effects of the outflow depend on the speed. Slower outflow tends to land in the inner magnetosphere increasing the strength of the ring current. Higher speed flow out in the tail. Using this model, simulations have shown that solar wind dynamic pressure has a profound effect on the amount of fluence. The most striking result has been the simulation of magnetospheric sawtooth events. We will discuss future directions for this research, emphasizing the need for better physical models for the outflow process and its coupling to the
Simulation studies on the effect of positioning tolerances on optical coupling efficiency
Pamidighantam, Ramana V.; Yeo, Yongkee; Sudharsanam, Krishnamachari; Lee, Sik Pong; Iyer, Mahadevan K.
2002-08-01
The development of Optoelectronic components for communications is converging towards access networks where device cost makes a significant impact on the market acceptance. Thus, the device design engineer needs to input assembly, fabrication and process constraints into the design at an early stage. The present study is part of a Project on Packaging of Optical Components that IME, Singapore has initiated as part of an ongoing Electronics Packaging Research Consortium with industry partnership. In the present study, the coupling of optical radiation from a laser diode to optical fiber is simulated for a fiber optic transmitter component development project. Different optical configurations based on direct coupling, spherical ball lenses, integral lensed fibers and thermally expanded fibers are created within the commercially available transmitter package space. The effect of optical element variables on the placement tolerance is analyzed and will be reported. The effect of alignment tolerances on the optical coupling is analyzed. Simulation results are presented recommending realizable alignment and placement tolerances to develop a low cost short range link distance transmitter.
Ryu, Young; Lim, Yoon-Jin; Ji, Hee-Sook; Park, Hyun-Hee; Chang, Eun-Chul; Kim, Baek-Jo
2017-11-01
In flash flood forecasting, it is necessary to consider not only traditional meteorological variables such as precipitation, evapotranspiration, and soil moisture, but also hydrological components such as streamflow. To address this challenge, the application of high resolution coupled atmospheric-hydrological models is emerging as a promising alternative. This study demonstrates the feasibility of linking a coupled atmospheric-hydrological model (WRF/WRFHydro) with 150-m horizontal grid spacing for flash flood forecasting in Korea. The study area is the Namgang Dam basin in Southern Korea, a mountainous area located downstream of Jiri Mountain (1915 m in height). Under flash flood conditions, the simulated precipitation over the entire basin is comparable to the domain-averaged precipitation, but discharge data from WRF-Hydro shows some differences in the total available water and the temporal distribution of streamflow (given by the timing of the streamflow peak following precipitation), compared to observations. On the basis of sensitivity tests, the parameters controlling the infiltration of excess precipitation and channel roughness depending on stream order are refined and their influence on temporal distribution of streamflow is addressed with intent to apply WRF-Hydro to flash flood forecasting in the Namgang Dam basin. The simulation results from the WRF-Hydro model with optimized parameters demonstrate the potential utility of a coupled atmospheric-hydrological model for forecasting heavy rain-induced flash flooding over the Korean Peninsula.
Simulation of a Large Wildfire in a Coupled Fire-Atmosphere Model
Directory of Open Access Journals (Sweden)
Jean-Baptiste Filippi
2018-06-01
Full Text Available The Aullene fire devastated more than 3000 ha of Mediterranean maquis and pine forest in July 2009. The simulation of combustion processes, as well as atmospheric dynamics represents a challenge for such scenarios because of the various involved scales, from the scale of the individual flames to the larger regional scale. A coupled approach between the Meso-NH (Meso-scale Non-Hydrostatic atmospheric model running in LES (Large Eddy Simulation mode and the ForeFire fire spread model is proposed for predicting fine- to large-scale effects of this extreme wildfire, showing that such simulation is possible in a reasonable time using current supercomputers. The coupling involves the surface wind to drive the fire, while heat from combustion and water vapor fluxes are injected into the atmosphere at each atmospheric time step. To be representative of the phenomenon, a sub-meter resolution was used for the simulation of the fire front, while atmospheric simulations were performed with nested grids from 2400-m to 50-m resolution. Simulations were run with or without feedback from the fire to the atmospheric model, or without coupling from the atmosphere to the fire. In the two-way mode, the burnt area was reproduced with a good degree of realism at the local scale, where an acceleration in the valley wind and over sloping terrain pushed the fire line to locations in accordance with fire passing point observations. At the regional scale, the simulated fire plume compares well with the satellite image. The study explores the strong fire-atmosphere interactions leading to intense convective updrafts extending above the boundary layer, significant downdrafts behind the fire line in the upper plume, and horizontal wind speeds feeding strong inflow into the base of the convective updrafts. The fire-induced dynamics is induced by strong near-surface sensible heat fluxes reaching maximum values of 240 kW m − 2 . The dynamical production of turbulent kinetic
GFDL's CM2 global coupled climate models. Part I: Formulation and simulation characteristics
Delworth, T.L.; Broccoli, A.J.; Rosati, A.; Stouffer, R.J.; Balaji, V.; Beesley, J.A.; Cooke, W.F.; Dixon, K.W.; Dunne, J.; Dunne, K.A.; Durachta, J.W.; Findell, K.L.; Ginoux, P.; Gnanadesikan, A.; Gordon, C.T.; Griffies, S.M.; Gudgel, R.; Harrison, M.J.; Held, I.M.; Hemler, R.S.; Horowitz, L.W.; Klein, S.A.; Knutson, T.R.; Kushner, P.J.; Langenhorst, A.R.; Lee, H.-C.; Lin, S.-J.; Lu, J.; Malyshev, S.L.; Milly, P.C.D.; Ramaswamy, V.; Russell, J.; Schwarzkopf, M.D.; Shevliakova, E.; Sirutis, J.J.; Spelman, M.J.; Stern, W.F.; Winton, M.; Wittenberg, A.T.; Wyman, B.; Zeng, F.; Zhang, R.
2006-01-01
The formulation and simulation characteristics of two new global coupled climate models developed at NOAA's Geophysical Fluid Dynamics Laboratory (GFDL) are described. The models were designed to simulate atmospheric and oceanic climate and variability from the diurnal time scale through multicentury climate change, given our computational constraints. In particular, an important goal was to use the same model for both experimental seasonal to interannual forecasting and the study of multicentury global climate change, and this goal has been achieved. Tw o versions of the coupled model are described, called CM2.0 and CM2.1. The versions differ primarily in the dynamical core used in the atmospheric component, along with the cloud tuning and some details of the land and ocean components. For both coupled models, the resolution of the land and atmospheric components is 2?? latitude ?? 2.5?? longitude; the atmospheric model has 24 vertical levels. The ocean resolution is 1?? in latitude and longitude, with meridional resolution equatorward of 30?? becoming progressively finer, such that the meridional resolution is 1/3?? at the equator. There are 50 vertical levels in the ocean, with 22 evenly spaced levels within the top 220 m. The ocean component has poles over North America and Eurasia to avoid polar filtering. Neither coupled model employs flux adjustments. The co ntrol simulations have stable, realistic climates when integrated over multiple centuries. Both models have simulations of ENSO that are substantially improved relative to previous GFDL coupled models. The CM2.0 model has been further evaluated as an ENSO forecast model and has good skill (CM2.1 has not been evaluated as an ENSO forecast model). Generally reduced temperature and salinity biases exist in CM2.1 relative to CM2.0. These reductions are associated with 1) improved simulations of surface wind stress in CM2.1 and associated changes in oceanic gyre circulations; 2) changes in cloud tuning and
Somogyi, Endre; Glazier, James A
2017-04-01
Biological cells are the prototypical example of active matter. Cells sense and respond to mechanical, chemical and electrical environmental stimuli with a range of behaviors, including dynamic changes in morphology and mechanical properties, chemical uptake and secretion, cell differentiation, proliferation, death, and migration. Modeling and simulation of such dynamic phenomena poses a number of computational challenges. A modeling language describing cellular dynamics must naturally represent complex intra and extra-cellular spatial structures and coupled mechanical, chemical and electrical processes. Domain experts will find a modeling language most useful when it is based on concepts, terms and principles native to the problem domain. A compiler must then be able to generate an executable model from this physically motivated description. Finally, an executable model must efficiently calculate the time evolution of such dynamic and inhomogeneous phenomena. We present a spatial hybrid systems modeling language, compiler and mesh-free Lagrangian based simulation engine which will enable domain experts to define models using natural, biologically motivated constructs and to simulate time evolution of coupled cellular, mechanical and chemical processes acting on a time varying number of cells and their environment.
Simulation at the SSCL low energy booster and coupled cavity linac
International Nuclear Information System (INIS)
Bourianoff, G.
1991-01-01
During the past year, the SSC has made significant use of the MFE computer center for simulating the low energy accelerators in the SSC complex. There are two primary supercomputer applications reported here. They are the calculation of emittance growth in the LEB due to space charge effects and simulation of the side coupled cavities used in the linac. The SSC is designed to have a luminosity of 10 33 interactions per second per square centimeter. It directly determines the amount of physics which can be done with the collider and is therefore of critical importance. The luminosity is inversely proportional to the emittance of the two colliding beams. Since emittance increases monotonically through the chain of accelerators, an emittance budget has been set up defining what the allowable emittance increase is in each individual component of the accelerator. The emittance budget for the LEB calls for the emittance to enter the LEB at .4π mm - mrad and leave the LEB at .6π mm -mrad. Therefore, a set of simulations was done to determine the actual emittance growth. The linac is designed to accelerate 25 MA of H - ions from 70 MEV to 600 MEV. There are several possible cavity designs which might be used but the side coupled cavity design operating in the π/2 mode has a number of advantages concerning operating stability and ease of manufacture. It has therefore been chosen for the linac accelerator
Computer simulation model of reflex e-beam systems coupled to an external circuit
International Nuclear Information System (INIS)
Jungwirth, K.; Stavinoha, P.
1982-01-01
Dynamics of ions and relativistic electrons in various high-voltage reflexing systems (reflex diodes and triodes) was investigated numerically by means of 1 1/2-dimensional PIC simulation model OREBIA. Its perfected version OREBIA-REX also accounts for system coupling to an external power source circuit, thus yielding the currents and applied voltage self-consistently. Various modes of operation of reflex diode and triode were studied using both models. It is shown that neglecting the influence of the external circuit can lead to seve--re overestimation of both ion currents and electron accumulation rates. In coupled systems with ions repeated collapses of impedance due to electron-ion relaxation processes are observed. The current and voltage pulses calculated for several reflex diodes and triodes with and without ions are presented. (J.U.)
Development of the CHEMTARD coupled process simulator for use in radiological assessment
International Nuclear Information System (INIS)
Liew, S.K.; Read, D.
1987-12-01
This report describes features of CHEMTARD (Chemical Transport Adsorption Redox and Decay); a directly-coupled chemical transport code, developed to aid the DOE in carrying out post-closure radiological risk assessments. The program is based on the Lawrence Berkeley code, CHEMTRN, and simulates the one-dimensional transport of aqueous chemical species by advection and/or diffusion while accounting for phase transfer by reversible precipitation-dissolution, ion-exchange or surface adsorption. New models for radioactive decay, oxidation-reduction reactions, flexible boundary conditions and multi-layered transport have significantly enhanced the ability of the code to perform coupled process calculations. Although originally developed for studies involving shallow disposal of low level wastes, the models contained in CHEMTARD are sufficiently general to allow thermodynamic treatment of chemical transport for porous flow through all saturated aquifer systems. (author)
Tang, Xian-Zhu; McDevitt, C. J.; Guo, Zehua; Berk, H. L.
2014-03-01
Inertial confinement fusion requires an imploded target in which a central hot spot is surrounded by a cold and dense pusher. The hot spot/pusher interface can take complicated shape in three dimensions due to hydrodynamic mix. It is also a transition region where the Knudsen and inverse Knudsen layer effect can significantly modify the fusion reactivity in comparison with the commonly used value evaluated with background Maxwellians. Here, we describe a hybrid model that couples the kinetic correction of fusion reactivity to global hydrodynamic implosion simulations. The key ingredient is a non-perturbative treatment of the tail ions in the interface region where the Gamow ion Knudsen number approaches or surpasses order unity. The accuracy of the coupling scheme is controlled by the precise criteria for matching the non-perturbative kinetic model to perturbative solutions in both configuration space and velocity space.
Isogeometric analysis and harmonic stator-rotor coupling for simulating electric machines
Bontinck, Zeger; Corno, Jacopo; Schöps, Sebastian; De Gersem, Herbert
2018-06-01
This work proposes Isogeometric Analysis as an alternative to classical finite elements for simulating electric machines. Through the spline-based Isogeometric discretization it is possible to parametrize the circular arcs exactly, thereby avoiding any geometrical error in the representation of the air gap where a high accuracy is mandatory. To increase the generality of the method, and to allow rotation, the rotor and the stator computational domains are constructed independently as multipatch entities. The two subdomains are then coupled using harmonic basis functions at the interface which gives rise to a saddle-point problem. The properties of Isogeometric Analysis combined with harmonic stator-rotor coupling are presented. The results and performance of the new approach are compared to the ones for a classical finite element method using a permanent magnet synchronous machine as an example.
DEFF Research Database (Denmark)
Larsen, Morten Andreas Dahl; Drews, Martin; Hesselbjerg Christensen, Jens
convective precipitation systems. As a result climate model simulations let alone future projections of precipitation often exhibit substantial biases. Here we show that the dynamical coupling of a regional climate model to a detailed fully distributed hydrological model - including groundwater-, overland...... of local precipitation dynamics are seen for time scales of app. Seasonal duration and longer. We show that these results can be attributed to a more complete treatment of land surface feedbacks. The local scale effect on the atmosphere suggests that coupled high-resolution climate-hydrology models...... including a detailed 3D redistribution of sub- and land surface water have a significant potential for improving climate projections even diminishing the need for bias correction in climate-hydrology studies....
Directory of Open Access Journals (Sweden)
DOBRE Daniel
2015-06-01
Full Text Available In the conditions of a competitive market, the use of 3D modelling, visualisation and simulation tools enable the entire coupling to be designed and developed in the pre-manufacturing phase. Several advantages of introducing virtual prototyping are offered. The goal for the coupling prototype is to answer questions about performance and reliability in order to identify necessary engineering changes for the final coupling variant. Facilitating the virtual reality communication capability, different variations of the geometry and other characteristics can be studied and discussed in a more efficient mode. Virtual features of the coupling structure are described and analysed for the efficient realization of coupling project. At the end, the paper presents design simulations to prove the behaviour and functionality of the coupling for different operational scenarios: mechanical stress, buckling stability and modal analysis.
International Nuclear Information System (INIS)
Jewer, S.; Buchan, A.G.; Pain, C.C.; Cacuci, D.G.
2014-01-01
Highlights: • A new method of coupled radiation transport, heat and momentum exchanges on fluids, and heat transfer simulations. • Simulation of the thermal hydraulics and radiative properties within whole PWR assemblies. • An immersed body method for modelling complex solid domains on practical computational meshes. - Abstract: A recently developed immersed body method is adapted and used to model a typical pressurised water reactor (PWR) fuel assembly. The approach is implemented with the numerical framework of the finite element, transient criticality code, FETCH which is composed of the neutron transport code, EVENT, and the CFD code, FLUIDITY. Within this framework the neutron transport equation, Navier–Stokes equations and a fluid energy conservation equation are solved in a coupled manner on a coincident structured or unstructured mesh. The immersed body method has been used to model the solid fuel pins. The key feature of this method is that the fluid/neutronic domain and the solid domain are represented by overlapping and non-conforming meshes. The main difficulty of this approach, for which a solution is proposed in this work, is the conservative mapping of the energy and momentum exchange between the fluid/neutronic mesh and the solid fuel pin mesh. Three numerical examples are presented which include a validation of the fuel pin submodel against an analytical solution; an uncoupled (no neutron transport solution) PWR fuel assembly model with a specified power distribution which was validated against the COBRA-EN subchannel analysis code; and finally a coupled model of a PWR fuel assembly with reflective neutron boundary conditions. Coupling between the fluid and neutron transport solutions is through the nuclear cross sections dependence on Doppler fuel temperature, coolant density and temperature, which was taken into account by using pre-calculated cross-section lookup tables generated using WIMS9a. The method was found to show good agreement
2015-11-01
Memorandum Simulation of Weld Mechanical Behavior to Include Welding-Induced Residual Stress and Distortion: Coupling of SYSWELD and Abaqus Codes...Weld Mechanical Behavior to Include Welding-Induced Residual Stress and Distortion: Coupling of SYSWELD and Abaqus Codes by Charles R. Fisher...Welding- Induced Residual Stress and Distortion: Coupling of SYSWELD and Abaqus Codes 5a. CONTRACT NUMBER N/A 5b. GRANT NUMBER N/A 5c
Simulating the evolution of the Amundsen Sea Sector with a coupled ice-ocean model
Seroussi, H. L.; Nakayama, Y.; Menemenlis, D.; Larour, E. Y.; Morlighem, M.; Rignot, E. J.
2017-12-01
Ice shelves and floating glacier termini play an important role in the stability of ice sheets and interact strongly with the ocean. They account for much of the buttressing against the flow of inland glaciers that drain the Antarctic ice sheet. Changes in their geometry due to ice-front retreat, thinning or even collapse profoundly affect the flow of their tributary glaciers, which in turn affects the volume of grounded ice carried by these tributary glaciers into the ocean, and the extent of resulting sea level rise. Recent simulations of glaciers in Antarctica show that the largest climatic impact on ice dynamics is the rate of ice shelf melting, which rapidly affects glaciers' speed over several hundreds of kilometers upstream of the grounding line. These melting rates, however, as well as their spatial and temporal evolution remain largely unknown. In the absence of direct long-term observations, coupled ice-ocean models are the best available approach to address this question. In a previous study, we simulated the coupled ice-ocean system near Thwaites Glacier using a new two-way coupled system between the Massachusetts Institute of Technology general circulation model (MITgcm) and the Ice Sheet System Model (ISSM). Our results highlighted the impact of ocean conditions on glacier evolution and demonstrated the importance of simulating the coupled ice-ocean system to produce accurate melting rates under the ice shelf and at the grounding line. In this study, we focus on the entire Amundsen Sea sector, a region that experienced glacier acceleration, thinning and grounding line retreat over the past three decades. We investigate the feedbacks between changes in the ice and ocean, and the dynamic response of the glacier to changes in the ocean circulation. The simulations suggest that this region is likely to undergo substantial changes in the coming decades. This work was performed at the Jet Propulsion Laboratory, California Institute of Technology, under a
International Nuclear Information System (INIS)
Carnahan, C.L.
1991-11-01
A numerical simulator of reactive chemical transport with coupling from precipitation-dissolution reactions to fluid flow, via changes of porosity and permeability, is applied to precipitation-dissolution of quartz and calcite in spatially and temporally variable fields of temperature. Significant effects on fluid flow are found in the quartz-silicic acid system in the presence of persistent, strong gradient of temperature. Transient heat flow in the quartz-silicic acid system and in a calcite-calcium ion-carbonato species system produces vanishingly small effects on fluid flow
Ventilated buildings optimisation by using a coupled thermal-airflow simulation program
DEFF Research Database (Denmark)
Oropeza-Perez, Ivan; Østergaard, Poul Alberg; Remmen, Arne
2011-01-01
This work shows the optimization of natural ventilation within buildings at the stage of design and behaviour of the occupants. An evaluation is done by coupled multizone air modelling and thermal building simulation by using a deterministic set of input factors comprising among others climate......, local environment, building characteristics, building systems, behaviour of occupants, heat loads. Selected deterministic input factors were varied to generate additional information applied in an optimization loop. With that, it is found that the optimal solution depends to a great deal...
Coupled neutronics and thermal-hydraulics numerical simulations of a Molten Salt Fast Reactor (MSFR)
International Nuclear Information System (INIS)
Laureau, A.; Rubiolo, P.R.; Heuer, D.; Merle-Lucotte, E.; Brovchenko, M.
2013-01-01
Coupled neutronics and thermalhydraulic numerical analyses of a molten salt fast reactor (MSFR) are presented. These preliminary numerical simulations are carried-out using the Monte Carlo code MCNP and the Computation Fluid Dynamic code OpenFOAM. The main objectives of this analysis performed at steady-reactor conditions are to confirm the acceptability of the current neutronic and thermalhydraulic designs of the reactor, to study the effects of the reactor operating conditions on some of the key MSFR design parameters such as the temperature peaking factor. The effects of the precursor's motion on the reactor safety parameters such as the effective fraction of delayed neutrons have been evaluated. (authors)
Simulation of a coupled dynamic system of temperature and density in a fusion plasma
International Nuclear Information System (INIS)
Le Roux, M.N.; Weiland, J.; Wilhelmsson, H.
1992-01-01
Simulation studies of a coupled system of equations for the evolution of temperature and density have been performed. The results are presented in graphs displaying the evolution in time of the temperature and density profiles, as well as in phase-plane plots, relating the central values of temperature and density. Particular emphasis is devoted to the particle and heat pinch effects, which tend to counter-balance the ordinary diffusion, and to co-operate with the alpha particle heating in sustaining plasma equilibrium. Oscillatory approaches to equilibria are recorded. 28 refs., 20 figs
Directory of Open Access Journals (Sweden)
Haibo Yu
2007-02-01
Full Text Available Although the major structural transitions in molecular motors are often argued to couple to the binding of Adenosine triphosphate (ATP, the recovery stroke in the conventional myosin has been shown to be dependent on the hydrolysis of ATP. To obtain a clearer mechanistic picture for such "mechanochemical coupling" in myosin, equilibrium active-site simulations with explicit solvent have been carried out to probe the behavior of the motor domain as functions of the nucleotide chemical state and conformation of the converter/relay helix. In conjunction with previous studies of ATP hydrolysis with different active-site conformations and normal mode analysis of structural flexibility, the results help establish an energetics-based framework for understanding the mechanochemical coupling. It is proposed that the activation of hydrolysis does not require the rotation of the lever arm per se, but the two processes are tightly coordinated because both strongly couple to the open/close transition of the active site. The underlying picture involves shifts in the dominant population of different structural motifs as a consequence of changes elsewhere in the motor domain. The contribution of this work and the accompanying paper [] is to propose the actual mechanism behind these "population shifts" and residues that play important roles in the process. It is suggested that structural flexibilities at both the small and large scales inherent to the motor domain make it possible to implement tight couplings between different structural motifs while maintaining small free-energy drops for processes that occur in the detached states, which is likely a feature shared among many molecular motors. The significantly different flexibility of the active site in different X-ray structures with variable level arm orientations supports the notation that external force sensed by the lever arm may transmit into the active site and influence the chemical steps (nucleotide
Massmann, J.; Nagel, T.; Bilke, L.; Böttcher, N.; Heusermann, S.; Fischer, T.; Kumar, V.; Schäfers, A.; Shao, H.; Vogel, P.; Wang, W.; Watanabe, N.; Ziefle, G.; Kolditz, O.
2016-12-01
As part of the German site selection process for a high-level nuclear waste repository, different repository concepts in the geological candidate formations rock salt, clay stone and crystalline rock are being discussed. An open assessment of these concepts using numerical simulations requires physical models capturing the individual particularities of each rock type and associated geotechnical barrier concept to a comparable level of sophistication. In a joint work group of the Helmholtz Centre for Environmental Research (UFZ) and the German Federal Institute for Geosciences and Natural Resources (BGR), scientists of the UFZ are developing and implementing multiphysical process models while BGR scientists apply them to large scale analyses. The advances in simulation methods for waste repositories are incorporated into the open-source code OpenGeoSys. Here, recent application-driven progress in this context is highlighted. A robust implementation of visco-plasticity with temperature-dependent properties into a framework for the thermo-mechanical analysis of rock salt will be shown. The model enables the simulation of heat transport along with its consequences on the elastic response as well as on primary and secondary creep or the occurrence of dilatancy in the repository near field. Transverse isotropy, non-isothermal hydraulic processes and their coupling to mechanical stresses are taken into account for the analysis of repositories in clay stone. These processes are also considered in the near field analyses of engineered barrier systems, including the swelling/shrinkage of the bentonite material. The temperature-dependent saturation evolution around the heat-emitting waste container is described by different multiphase flow formulations. For all mentioned applications, we illustrate the workflow from model development and implementation, over verification and validation, to repository-scale application simulations using methods of high performance computing.
Simulation Study of Near-Surface Coupling of Nuclear Devices vs. Equivalent High-Explosive Charges
Energy Technology Data Exchange (ETDEWEB)
Fournier, Kevin B [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Walton, Otis R [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Benjamin, Russ [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Dunlop, William H [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)
2014-09-29
A computational study was performed to examine the differences in near-surface ground-waves and air-blast waves generated by high-explosive energy sources and those generated by much higher energy - density low - yield nuclear sources. The study examined the effect of explosive-source emplacement (i.e., height-of-burst, HOB, or depth-of-burial, DOB) over a range from depths of -35m to heights of 20m, for explosions with an explosive yield of 1-kt . The chemical explosive was modeled by a JWL equation-of-state model for a ~14m diameter sphere of ANFO (~1,200,000kg – 1 k t equivalent yield ), and the high-energy-density source was modeled as a one tonne (1000 kg) plasma of ‘Iron-gas’ (utilizing LLNL’s tabular equation-of-state database, LEOS) in a 2m diameter sphere, with a total internal-energy content equivalent to 1 k t . A consistent equivalent-yield coupling-factor approach was developed to compare the behavior of the two sources. The results indicate that the equivalent-yield coupling-factor for air-blasts from 1 k t ANFO explosions varies monotonically and continuously from a nearly perfec t reflected wave off of the ground surface for a HOB ≈ 20m, to a coupling factor of nearly zero at DOB ≈ -25m. The nuclear air - blast coupling curve, on the other hand, remained nearly equal to a perfectly reflected wave all the way down to HOB’s very near zero, and then quickly dropped to a value near zero for explosions with a DOB ≈ -10m. The near - surface ground - wave traveling horizontally out from the explosive source region to distances of 100’s of meters exhibited equivalent - yield coupling - factors t hat varied nearly linearly with HOB/DOB for the simulated ANFO explosive source, going from a value near zero at HOB ≈ 5m to nearly one at DOB ≈ -25m. The nuclear-source generated near-surface ground wave coupling-factor remained near zero for almost all HOB’s greater than zero, and then appeared to vary nearly - linearly with depth
SIMULATION STUDY OF LONGITUDINAL FORCES IN THE COUPLING DEVICE OF HEAVY FREIGHT TRAINS
Directory of Open Access Journals (Sweden)
Józef Stokłosa
2014-03-01
Full Text Available On the LHS line (Broad-gauge Metallurgical Line, far out West of the railway line with a gauge of 1520 mm, heavy goods trains for a gross weight 5500 tons and a length of 850 m are operated. The article presents the results of a simulation study of the forces that occur in the automatic coupling device of SA-3 type of Russian production train consisting of 60 coal wagons of Russian construction of gross mass 91 tons each. The train moves on the 1520 mm gauge tracks curve S type (the radius of curvature of curves 300 m. Simulation studies were conducted using the Train Module of program to dynamic study multi-elements systems of Universal Mechanism UM 6.0.
International Nuclear Information System (INIS)
Zhang Ruijie; Jing Tao; Jie Wanqi; Liu Baicheng
2006-01-01
To simulate quantitatively the microstructural evolution in the solidification process of multicomponent alloys, we extend the phase-field model for binary alloys to multicomponent alloys with consideration of the solute interactions between different species. These interactions have a great influence not only on the phase equilibria but also on the solute diffusion behaviors. In the model, the interface region is assumed to be a mixture of solid and liquid with the same chemical potential, but with different compositions. The simulation presented is coupled with thermodynamic and diffusion mobility databases, which can accurately predict the phase equilibria and the solute diffusion transportation in the whole system. The phase equilibria in the interface and other thermodynamic quantities are obtained using Thermo-Calc through the TQ interface. As an example, two-dimensional computations for the dendritic growth in Al-Cu-Mg ternary alloy are performed. The quantitative solute distributions and diffusion matrix are obtained in both solid and liquid phases
Coupled simulation of meteorological parameters and sound intensity in a narrow valley
Energy Technology Data Exchange (ETDEWEB)
Heimann, D. [Deutsche Forschungsanstalt fuer Luft- und Raumfahrt e.V. (DLR), Wessling (Germany). Inst. fuer Physik der Atmosphaere; Gross, G. [Hannover Univ. (Germany). Inst. fuer Meteorologie und Klimatologie
1997-07-01
A meteorological mesoscale model is used to simulate the inhomogeneous distribution of temperature and the appertaining development of thermal wind systems in a narrow two-dimensional valley during the course of a cloud-free day. A simple sound particle model takes up the simulated meteorological fields and calculates the propagation of noise which originates from a line source at one of the slopes of this valley. The coupled modeling system ensures consistency of topography, meteorological parameters and the sound field. The temporal behaviour of the sound intensity level across the valley is examined. It is only governed by the time-dependent meteorology. The results show remarkable variations of the sound intensity during the course of a day depending on the location in the valley. (orig.) 23 refs.
International Nuclear Information System (INIS)
Bogacz, S.A.; Griffin, J.E.; Khiari, F.Z.
1988-05-01
Excitation of large amplitude coherent dipole bunch oscillations by beam induced voltages in spurious narrow resonances are simulated using a longitudinal phase-space tracking code (ESME). Simulation of the developing instability in a high intensity proton beam driven by a spurious parasitic resonance of the rf cavities allows one to estimate the final longitudinal emittance of the beam at the end of the cycle, which puts serious limitations on the machine performance. The growth of the coupled bunch modes is significantly enhanced if a gap of missing bunches is present, which is an inherent feature of the high intensity proton machines. A strong transient excitation of the parasitic resonance by the Fourier components of the beam spectrum resulting from the presence of the gap is suggested as a possible mechanism of this enhancement. 10 refs., 4 figs., 1 tab
Xu, Yan; Cai, Yanpeng; Sun, Tao; Yang, Zhifeng; Hao, Yan
2018-03-01
A multiphase finite-element hydrodynamic model and a phytoplankton simulation approach are coupled into a general modeling framework. It can help quantify impacts of land reclamation. Compared with previous studies, it has the following improvements: a) reflection of physical currents and suitable growth areas for phytoplankton, (b) advancement of a simulation method to describe the suitability of phytoplankton in the sea water. As the results, water velocity is 16.7% higher than that of original state without human disturbances. The related filling engineering has shortened sediment settling paths, weakened the vortex flow and reduced the capacity of material exchange. Additionally, coastal reclamation lead to decrease of the growth suitability index (GSI), thus it cut down the stability of phytoplankton species approximately 4-12%. The proposed GSI can be applied to the management of coastal reclamation for minimizing ecological impacts. It will be helpful for facilitating identifying suitable phytoplankton growth areas.
Gas Core Reactor Numerical Simulation Using a Coupled MHD-MCNP Model
Kazeminezhad, F.; Anghaie, S.
2008-01-01
Analysis is provided in this report of using two head-on magnetohydrodynamic (MHD) shocks to achieve supercritical nuclear fission in an axially elongated cylinder filled with UF4 gas as an energy source for deep space missions. The motivation for each aspect of the design is explained and supported by theory and numerical simulations. A subsequent report will provide detail on relevant experimental work to validate the concept. Here the focus is on the theory of and simulations for the proposed gas core reactor conceptual design from the onset of shock generations to the supercritical state achieved when the shocks collide. The MHD model is coupled to a standard nuclear code (MCNP) to observe the neutron flux and fission power attributed to the supercritical state brought about by the shock collisions. Throughout the modeling, realistic parameters are used for the initial ambient gaseous state and currents to ensure a resulting supercritical state upon shock collisions.
Wu, Hui; Hu, Liming; Wen, Qingbo
2017-06-01
Electro-osmotic consolidation is an effective method for soft ground improvement. A main limitation of previous numerical models on this technique is the ignorance of the non-linear variation of soil parameters. In the present study, a multi-field numerical model is developed with the consideration of the non-linear variation of soil parameters during electro-osmotic consolidation process. The numerical simulations on an axisymmetric model indicated that the non-linear variation of soil parameters showed remarkable impact on the development of the excess pore water pressure and degree of consolidation. A field experiment with complex geometry, boundary conditions, electrode configuration and voltage application was further simulated with the developed numerical model. The comparison between field and numerical data indicated that the numerical model coupling of the non-linear variation of soil parameters gave more reasonable results. The developed numerical model is capable to analyze engineering cases with complex operating conditions.
Song, Yong; Zhang, Kai; Hao, Qun; Hu, Lanxin; Wang, Jingwen; Shang, Fuzhou
2012-10-09
Simulation based on the finite-element (FE) method plays an important role in the investigation of intra-body communication (IBC). In this paper, a finite-element model of the whole body model used for the IBC simulation is proposed and verified, while the FE simulation of the galvanic coupling IBC with different signal transmission paths has been achieved. Firstly, a novel finite-element method for modeling the whole human body is proposed, and a FE model of the whole human body used for IBC simulation was developed. Secondly, the simulations of the galvanic coupling IBC with the different signal transmission paths were implemented. Finally, the feasibility of the proposed method was verified by using in vivo measurements within the frequency range of 10 kHz-5 MHz, whereby some important conclusions were deduced. Our results indicate that the proposed method will offer significant advantages in the investigation of the galvanic coupling intra-body communication.
Directory of Open Access Journals (Sweden)
H. W. Ter Maat
2010-08-01
Full Text Available This paper is a case study to investigate what the main controlling factors are that determine atmospheric carbon dioxide content for a region in the centre of The Netherlands. We use the Regional Atmospheric Modelling System (RAMS, coupled with a land surface scheme simulating carbon, heat and momentum fluxes (SWAPS-C, and including also submodels for urban and marine fluxes, which in principle should include the dominant mechanisms and should be able to capture the relevant dynamics of the system. To validate the model, observations are used that were taken during an intensive observational campaign in central Netherlands in summer 2002. These include flux-tower observations and aircraft observations of vertical profiles and spatial fluxes of various variables.
The simulations performed with the coupled regional model (RAMS-SWAPS-C are in good qualitative agreement with the observations. The station validation of the model demonstrates that the incoming shortwave radiation and surface fluxes of water and CO_{2} are well simulated. The comparison against aircraft data shows that the regional meteorology (i.e. wind, temperature is captured well by the model. Comparing spatially explicitly simulated fluxes with aircraft observed fluxes we conclude that in general latent heat fluxes are underestimated by the model compared to the observations but that the latter exhibit large variability within all flights. Sensitivity experiments demonstrate the relevance of the urban emissions of carbon dioxide for the carbon balance in this particular region. The same tests also show the relation between uncertainties in surface fluxes and those in atmospheric concentrations.
The path to CAM6: coupled simulations with CAM5.4 and CAM5.5
Bogenschutz, Peter A.; Gettelman, Andrew; Hannay, Cecile; Larson, Vincent E.; Neale, Richard B.; Craig, Cheryl; Chen, Chih-Chieh
2018-01-01
This paper documents coupled simulations of two developmental versions of the Community Atmosphere Model (CAM) towards CAM6. The configuration called CAM5.4 introduces new microphysics, aerosol, and ice nucleation changes, among others to CAM. The CAM5.5 configuration represents a more radical departure, as it uses an assumed probability density function (PDF)-based unified cloud parameterization to replace the turbulence, shallow convection, and warm cloud macrophysics in CAM. This assumed PDF method has been widely used in the last decade in atmosphere-only climate simulations but has never been documented in coupled mode. Here, we compare the simulated coupled climates of CAM5.4 and CAM5.5 and compare them to the control coupled simulation produced by CAM5.3. We find that CAM5.5 has lower cloud forcing biases when compared to the control simulations. Improvements are also seen in the simulated amplitude of the Niño-3.4 index, an improved representation of the diurnal cycle of precipitation, subtropical surface wind stresses, and double Intertropical Convergence Zone biases. Degradations are seen in Amazon precipitation as well as slightly colder sea surface temperatures and thinner Arctic sea ice. Simulation of the 20th century results in a credible simulation that ends slightly colder than the control coupled simulation. The authors find this is due to aerosol indirect effects that are slightly stronger in the new version of the model and propose a solution to ameliorate this. Overall, in these early coupled simulations, CAM5.5 produces a credible climate that is appropriate for science applications and is ready for integration into the National Center for Atmospheric Research's (NCAR's) next-generation climate model.
Coupled Model Intercomparison Project 5 (CMIP5) simulations of climate following volcanic eruptions
Driscoll, Simon; Bozzo, Alessio; Gray, Lesley J.; Robock, Alan; Stenchikov, Georgiy L.
2012-01-01
The ability of the climate models submitted to the Coupled Model Intercomparison Project 5 (CMIP5) database to simulate the Northern Hemisphere winter climate following a large tropical volcanic eruption is assessed. When sulfate aerosols are produced by volcanic injections into the tropical stratosphere and spread by the stratospheric circulation, it not only causes globally averaged tropospheric cooling but also a localized heating in the lower stratosphere, which can cause major dynamical feedbacks. Observations show a lower stratospheric and surface response during the following one or two Northern Hemisphere (NH) winters, that resembles the positive phase of the North Atlantic Oscillation (NAO). Simulations from 13 CMIP5 models that represent tropical eruptions in the 19th and 20th century are examined, focusing on the large-scale regional impacts associated with the large-scale circulation during the NH winter season. The models generally fail to capture the NH dynamical response following eruptions. They do not sufficiently simulate the observed post-volcanic strengthened NH polar vortex, positive NAO, or NH Eurasian warming pattern, and they tend to overestimate the cooling in the tropical troposphere. The findings are confirmed by a superposed epoch analysis of the NAO index for each model. The study confirms previous similar evaluations and raises concern for the ability of current climate models to simulate the response of a major mode of global circulation variability to external forcings. This is also of concern for the accuracy of geoengineering modeling studies that assess the atmospheric response to stratosphere-injected particles.
Coupled Model Intercomparison Project 5 (CMIP5) simulations of climate following volcanic eruptions
Driscoll, Simon
2012-09-16
The ability of the climate models submitted to the Coupled Model Intercomparison Project 5 (CMIP5) database to simulate the Northern Hemisphere winter climate following a large tropical volcanic eruption is assessed. When sulfate aerosols are produced by volcanic injections into the tropical stratosphere and spread by the stratospheric circulation, it not only causes globally averaged tropospheric cooling but also a localized heating in the lower stratosphere, which can cause major dynamical feedbacks. Observations show a lower stratospheric and surface response during the following one or two Northern Hemisphere (NH) winters, that resembles the positive phase of the North Atlantic Oscillation (NAO). Simulations from 13 CMIP5 models that represent tropical eruptions in the 19th and 20th century are examined, focusing on the large-scale regional impacts associated with the large-scale circulation during the NH winter season. The models generally fail to capture the NH dynamical response following eruptions. They do not sufficiently simulate the observed post-volcanic strengthened NH polar vortex, positive NAO, or NH Eurasian warming pattern, and they tend to overestimate the cooling in the tropical troposphere. The findings are confirmed by a superposed epoch analysis of the NAO index for each model. The study confirms previous similar evaluations and raises concern for the ability of current climate models to simulate the response of a major mode of global circulation variability to external forcings. This is also of concern for the accuracy of geoengineering modeling studies that assess the atmospheric response to stratosphere-injected particles.
CFD-PBM Coupled Simulation of an Airlift Reactor with Non-Newtonian Fluid
Directory of Open Access Journals (Sweden)
Han Mei
2017-09-01
Full Text Available Hydrodynamics of an AirLift Reactor (ALR with tap water and non-Newtonian fluid was studied experimentally and by numerical simulations. The Population Balance Model (PBM with multiple breakup and coalescence mechanisms was used to describe bubble size characteristics in the ALR. The interphase forces for closing the two-fluid model were formulated by considering the effect of Bubble Size Distribution (BSD. The BSD in the ALR obtained from the coupled Computational Fluid Dynamics (CFD-PBM model was validated against results from digital imaging measurements. The simulated velocity fields of both the gas and liquid phases were compared to measured fields obtained with Particle Image Velocimetry (PIV. The simulated results show different velocity field profile features at the top of the ALR between tap water and non-Newtonian fluid, which are in agreement with experiments. In addition, good agreement between simulations and experiments was obtained in terms of overall gas holdup and bubble Sauter mean diameter.
Hua, Lijuan; Chen, Lin; Rong, Xinyao; Su, Jingzhi; Wang, Lu; Li, Tim; Yu, Yongqiang
2018-03-01
This study examines El Niño-Southern Oscillation (ENSO)-related air-sea feedback processes in a coupled general circulation model (CGCM) to gauge model errors and pin down their sources in ENSO simulation. Three horizontal resolutions of the atmospheric component (T42, T63 and T106) of the CGCM are used to investigate how the simulated ENSO behaviors are affected by the resolution. We find that air-sea feedback processes in the three experiments mainly differ in terms of both thermodynamic and dynamic feedbacks. We also find that these processes are simulated more reasonably in the highest resolution version than in the other two lower resolution versions. The difference in the thermodynamic feedback arises from the difference in the shortwave-radiation (SW) feedback. Due to the severely (mildly) excessive cold tongue in the lower (higher) resolution version, the SW feedback is severely (mildly) underestimated. The main difference in the dynamic feedback processes lies in the thermocline feedback and the zonal-advection feedback, both of which are caused by the difference in the anomalous thermocline response to anomalous zonal wind stress. The difference in representing the anomalous thermocline response is attributed to the difference in meridional structure of zonal wind stress anomaly in the three simulations, which is linked to meridional resolution.
Numerical simulation of microwave pulse coupling into the rectangular cavity with aperture arrays
International Nuclear Information System (INIS)
Li Rui; Yang Yiming; Qian Baoliang
2008-01-01
In this paper, the finite-difference time-domain (FDTD) algorithm is employed to simulate microwave pulse coupling into the rectangular cavity with aperture arrays. In the case in which the long-side of the slot in aperture arrays is perpendicular to the incident electrical field, and the electrical distribution of each center of slot in the aperture arrays in the process of microwave pulse coupling into the rectangular cavity with aperture arrays is analyzed in detail. We find that the effect of field enhancement of the slot in the middle of all the slots which distribute in the direction parallel to the incident electrical field is minimum and increases in turn from the middle to both sides symmetrically. We also find that the effect of field enhancement of the slot in the middle of all the slots which distribute in the direction perpendicular to the incident electrical field is maximum and decreases in turn from the middle to both sides symmetrically. In the same time, we investigate the factors that influence the effect of field enhancement of the center of each slot and the coupling electrical distribution in the cavity, including the number of slots and the spacing between slots. (authors)
Simulation study of magnetically insulated power coupling to the applied-B ion diode
International Nuclear Information System (INIS)
Rosenthal, S.E.
1992-01-01
Power coupling to the applied-B ion diode from magnetically insulated transmission lines is simply described in terms of the voltage-current characteristics of both the diode and the transmission line. The accelerator load line intersects the composite characteristic at the operating voltage and current. Using 2-D PIC simulation, the authors have investigated how modification of either the ion diode or the magnetically insulated transmission line characteristic influences power coupling. Plasma prefill can modify the ion diode characteristic; a partially opened POS in the transmission line upstream of the ion diode is a possible cause of modification of the magnetically insulated transmission line characteristic. It can be useful to consider these two aspects of power coupling separately, but they are actually not independent. A good parameter to characterize the situation is the flow impedance, given by V/(I a 2 I c 2 ) 1/2 . V is the line voltage; I a and I c are the conduction currents flowing through the anode and cathode, respectively. The flow impedance covers a range from one half the vacuum impedance, for saturated magnetically insulated flow, to just below the vacuum impedance, for highly unsaturated flow. As the term ''flow impedance'' implies, low flow impedance coincides with greater electron flow while high flow impedance coincides with less electron flow. The flow impedance is sensitive to both the transmission line and the diode impedance. They show how the two are related, using the flow impedance as a parameter
PUMA Version 6 Multiplatform with Facilities to be coupled with other Simulation Models
International Nuclear Information System (INIS)
Grant, Carlos
2013-01-01
PUMA is a code for nuclear reactor calculation used in all nuclear installations in Argentina for simulation of fuel management, power cycles and transient events by means of spatial kinetic diffusion theory in 3D. For the versions used up to now the WINDOWS platform was used with very good results. Nowadays PUMA must work in different operative systems, LINUX among others, and must also have facilities to be coupled with other models. For this reason this new version was reprogrammed in ADA, language oriented to a safe programming and be found in any operative system. In former versions PUMA was executed through macro instructions written in LOGO. For this version it is possible to use also PYTHON, which makes also possible the access in execution time to internal data of PUMA. The use of PYTHON allows a easy way to couple PUMA with other codes. The possibilities of this new version of PUMA are shown by means of examples of input data and process control using PYTHON and LOGO. It is discussed the implementation of this methodology in other codes to be coupled with PUMA for versions run in WINDOWS and LINUX. (author)
Chua, V. P.
2015-12-01
Intensive agricultural, economic and industrial activities in Singapore and Malaysia have made our coastal areas under high risk of water pollution. A coupled ocean-hydrologic model is employed to perform three-dimensional simulations of flow and pollutant transport in Singapore coastal waters. The hydrologic SWAT model is coupled with the coastal ocean SUNTANS model by outputting streamflow and pollutant concentrations from the SWAT model and using them as inputs for the SUNTANS model at common boundary points. The coupled model is calibrated with observed sea surface elevations and velocities, and high correlation coefficients that exceed 0.97 and 0.91 are found for sea surface elevations and velocities, respectively. The pollutants are modeled as Gaussian passive tracers, and are released at five upstream locations in Singapore coastal waters. During the Northeast monsoon, pollutants released in Source 1 (Johor River), Source 2 (Tiram River), Source 3 (Layang River) and Source 4 (Layau River) enter the Singapore Strait after 4 days of release and reach Sentosa Island within 9 days. Meanwhile, pollutants released in Source 5 (Kallang River) reach Sentosa Island after 4 days. During the Southwest monsoon, the dispersion time is roughly doubled, with pollutants from Sources 1 - 4 entering the Singapore Strait only after 12 days of release due to weak currents.
A Coupled Model for Simulating Future Wildfire Regimes in the Western U.S.
Bart, R. R.; Kennedy, M. C.; Tague, C.; Hanan, E. J.
2017-12-01
Higher temperatures and larger fuel loads in the western U.S. have increased the size and intensity of wildfires over the past decades. However, it is unclear if this trend will continue over the long-term since increased wildfire activity has the countering effect of reducing landscape fuel loads, while higher temperatures alter the rate of vegetation recovery following fire. In this study, we introduce a coupled ecohydrologic-fire model for investigating how changes in vegetation, forest management, climate, and hydrology may affect future fire regimes. The spatially-distributed ecohydrologic model, RHESSys, simulates hydrologic, carbon and nutrient fluxes at watershed scales; the fire-spread model, WMFire, stochastically propagates fire on a landscape based on conditions in the ecohydrologic model. We use the coupled model to replicate fire return intervals in multiple ecoregions within the western U.S., including the southern Sierra Nevada and southern California. We also examine the sensitivity of fire return intervals to various model processes, including litter production, fire severity, and post-fire vegetation recovery rates. Results indicate that the coupled model is able to replicate expected fire return intervals in the selected locations. Fire return intervals were highly sensitive to the rate of vegetation growth, with longer fire return intervals associated with slower growing vegetation. Application of the model is expected to aid in our understanding of how fuel treatments, climate change and droughts may affect future fire regimes.
A simulation study of linear coupling effects and their correction in RHIC
International Nuclear Information System (INIS)
Parzen, G.
1992-11-01
This paper describes a possible skew quadrupole correction system for linear coupling for the RHIC92 lattice. A simulation study has been done for the correction system. Results are given for the performance of the correction system, and the required strength of the skew quadruple correctors. An important effect of linear coupling in RHIC is to shift the tune ν x ν y , sometimes called tune splitting. Most of this tune splitting can be corrected with a two family skew quadrupole correction system. For RHIC92, the same 2 family correction system will work for all likely choices of β*. This was not the case for the RHIC91 lattice where different families of correctors were needed for different β*. The tune splitting described above which is corrected with a 2 family correction system is driven primarily by the ν x - ν y harmonic of the skew quadrupole field given by the field multipole αl. There are several other effects of linear coupling present which are driven primarily by the ν x + ν y harmonics of the skew quadrupole field, αl. These include the following: (1) A higher order residual tune shift that remains after correction with the 2 family correction system. This tune shift is roughly quadratic in αl; (2) Possible large changes in the beta functions; (3) Possible increase in the beam size at injection due to the beta function distortion and the emittance distortion at injection
Energy Technology Data Exchange (ETDEWEB)
Zhao, Haihua [Idaho National Lab. (INL), Idaho Falls, ID (United States); Zhang, Hongbin [Idaho National Lab. (INL), Idaho Falls, ID (United States); Zou, Ling [Idaho National Lab. (INL), Idaho Falls, ID (United States); Anders, David [Idaho National Lab. (INL), Idaho Falls, ID (United States); Martineau, Richard [Idaho National Lab. (INL), Idaho Falls, ID (United States)
2014-10-01
The RELAP-7 code is the next generation nuclear reactor system safety analysis code being developed at the Idaho National Laboratory (INL). The RELAP-7 code develop-ment effort started in October of 2011 and by the end of the second development year, a number of physical components with simplified two phase flow capability have been de-veloped to support the simplified boiling water reactor (BWR) extended station blackout (SBO) analyses. The demonstration case includes the major components for the primary system of a BWR, as well as the safety system components for the safety relief valve (SRV), the reactor core isolation cooling (RCIC) system, and the wet well. Three scenar-ios for the SBO simulations have been considered. Since RELAP-7 is not a severe acci-dent analysis code, the simulation stops when fuel clad temperature reaches damage point. Scenario I represents an extreme station blackout accident without any external cooling and cooling water injection. The system pressure is controlled by automatically releasing steam through SRVs. Scenario II includes the RCIC system but without SRV. The RCIC system is fully coupled with the reactor primary system and all the major components are dynamically simulated. The third scenario includes both the RCIC system and the SRV to provide a more realistic simulation. This paper will describe the major models and dis-cuss the results for the three scenarios. The RELAP-7 simulations for the three simplified SBO scenarios show the importance of dynamically simulating the SRVs, the RCIC sys-tem, and the wet well system to the reactor safety during extended SBO accidents.
Nagura, Motoki; Sasaki, Wataru; Tozuka, Tomoki; Luo, Jing-Jia; Behera, Swadhin K.; Yamagata, Toshio
2013-02-01
Seychelles Dome refers to the shallow climatological thermocline in the southwestern Indian Ocean, where ocean wave dynamics efficiently affect sea surface temperature, allowing sea surface temperature anomalies to be predicted up to 1-2 years in advance. Accurate reproduction of the dome by ocean-atmosphere coupled general circulation models (CGCMs) is essential for successful seasonal predictions in the Indian Ocean. This study examines the Seychelles Dome as simulated by 35 CGCMs, including models used in phase five of the Coupled Model Intercomparison Project (CMIP5). Among the 35 CGCMs, 14 models erroneously produce an upwelling dome in the eastern half of the basin whereas the observed Seychelles Dome is located in the southwestern tropical Indian Ocean. The annual mean Ekman pumping velocity in these models is found to be almost zero in the southern off-equatorial region. This result is inconsistent with observations, in which Ekman upwelling acts as the main cause of the Seychelles Dome. In the models reproducing an eastward-displaced dome, easterly biases are prominent along the equator in boreal summer and fall, which result in shallow thermocline biases along the Java and Sumatra coasts via Kelvin wave dynamics and a spurious upwelling dome in the region. Compared to the CMIP3 models, the CMIP5 models are even worse in simulating the dome longitudes.
Experimental benchmark of kinetic simulations of capacitively coupled plasmas in molecular gases
Donkó, Z.; Derzsi, A.; Korolov, I.; Hartmann, P.; Brandt, S.; Schulze, J.; Berger, B.; Koepke, M.; Bruneau, B.; Johnson, E.; Lafleur, T.; Booth, J.-P.; Gibson, A. R.; O'Connell, D.; Gans, T.
2018-01-01
We discuss the origin of uncertainties in the results of numerical simulations of low-temperature plasma sources, focusing on capacitively coupled plasmas. These sources can be operated in various gases/gas mixtures, over a wide domain of excitation frequency, voltage, and gas pressure. At low pressures, the non-equilibrium character of the charged particle transport prevails and particle-based simulations become the primary tools for their numerical description. The particle-in-cell method, complemented with Monte Carlo type description of collision processes, is a well-established approach for this purpose. Codes based on this technique have been developed by several authors/groups, and have been benchmarked with each other in some cases. Such benchmarking demonstrates the correctness of the codes, but the underlying physical model remains unvalidated. This is a key point, as this model should ideally account for all important plasma chemical reactions as well as for the plasma-surface interaction via including specific surface reaction coefficients (electron yields, sticking coefficients, etc). In order to test the models rigorously, comparison with experimental ‘benchmark data’ is necessary. Examples will be given regarding the studies of electron power absorption modes in O2, and CF4-Ar discharges, as well as on the effect of modifications of the parameters of certain elementary processes on the computed discharge characteristics in O2 capacitively coupled plasmas.
Convergence of methods for coupling of microscopic and mesoscopic reaction–diffusion simulations
Flegg, Mark B.; Hellander, Stefan; Erban, Radek
2015-01-01
© 2015 Elsevier Inc. In this paper, three multiscale methods for coupling of mesoscopic (compartment-based) and microscopic (molecular-based) stochastic reaction-diffusion simulations are investigated. Two of the three methods that will be discussed in detail have been previously reported in the literature; the two-regime method (TRM) and the compartment-placement method (CPM). The third method that is introduced and analysed in this paper is called the ghost cell method (GCM), since it works by constructing a "ghost cell" in which molecules can disappear and jump into the compartment-based simulation. Presented is a comparison of sources of error. The convergent properties of this error are studied as the time step δ. t (for updating the molecular-based part of the model) approaches zero. It is found that the error behaviour depends on another fundamental computational parameter h, the compartment size in the mesoscopic part of the model. Two important limiting cases, which appear in applications, are considered:. (i)δt→0 and h is fixed;(ii)δt→0 and h→0 such that δt/h is fixed. The error for previously developed approaches (the TRM and CPM) converges to zero only in the limiting case (ii), but not in case (i). It is shown that the error of the GCM converges in the limiting case (i). Thus the GCM is superior to previous coupling techniques if the mesoscopic description is much coarser than the microscopic part of the model.
Monte Carlo and discrete-ordinate simulations of irradiances in the coupled atmosphere-ocean system.
Gjerstad, Karl Idar; Stamnes, Jakob J; Hamre, Børge; Lotsberg, Jon K; Yan, Banghua; Stamnes, Knut
2003-05-20
We compare Monte Carlo (MC) and discrete-ordinate radiative-transfer (DISORT) simulations of irradiances in a one-dimensional coupled atmosphere-ocean (CAO) system consisting of horizontal plane-parallel layers. The two models have precisely the same physical basis, including coupling between the atmosphere and the ocean, and we use precisely the same atmospheric and oceanic input parameters for both codes. For a plane atmosphere-ocean interface we find agreement between irradiances obtained with the two codes to within 1%, both in the atmosphere and the ocean. Our tests cover case 1 water, scattering by density fluctuations both in the atmosphere and in the ocean, and scattering by particulate matter represented by a one-parameter Henyey-Greenstein (HG) scattering phase function. The CAO-MC code has an advantage over the CAO-DISORT code in that it can handle surface waves on the atmosphere-ocean interface, but the CAO-DISORT code is computationally much faster. Therefore we use CAO-MC simulations to study the influence of ocean surface waves and propose a way to correct the results of the CAO-DISORT code so as to obtain fast and accurate underwater irradiances in the presence of surface waves.
Convergence of methods for coupling of microscopic and mesoscopic reaction–diffusion simulations
Flegg, Mark B.
2015-05-01
© 2015 Elsevier Inc. In this paper, three multiscale methods for coupling of mesoscopic (compartment-based) and microscopic (molecular-based) stochastic reaction-diffusion simulations are investigated. Two of the three methods that will be discussed in detail have been previously reported in the literature; the two-regime method (TRM) and the compartment-placement method (CPM). The third method that is introduced and analysed in this paper is called the ghost cell method (GCM), since it works by constructing a "ghost cell" in which molecules can disappear and jump into the compartment-based simulation. Presented is a comparison of sources of error. The convergent properties of this error are studied as the time step δ. t (for updating the molecular-based part of the model) approaches zero. It is found that the error behaviour depends on another fundamental computational parameter h, the compartment size in the mesoscopic part of the model. Two important limiting cases, which appear in applications, are considered:. (i)δt→0 and h is fixed;(ii)δt→0 and h→0 such that δt/h is fixed. The error for previously developed approaches (the TRM and CPM) converges to zero only in the limiting case (ii), but not in case (i). It is shown that the error of the GCM converges in the limiting case (i). Thus the GCM is superior to previous coupling techniques if the mesoscopic description is much coarser than the microscopic part of the model.
An introduction to LIME 1.0 and its use in coupling codes for multiphysics simulations.
Energy Technology Data Exchange (ETDEWEB)
Belcourt, Noel; Pawlowski, Roger Patrick; Schmidt, Rodney Cannon; Hooper, Russell Warren
2011-11-01
LIME is a small software package for creating multiphysics simulation codes. The name was formed as an acronym denoting 'Lightweight Integrating Multiphysics Environment for coupling codes.' LIME is intended to be especially useful when separate computer codes (which may be written in any standard computer language) already exist to solve different parts of a multiphysics problem. LIME provides the key high-level software (written in C++), a well defined approach (with example templates), and interface requirements to enable the assembly of multiple physics codes into a single coupled-multiphysics simulation code. In this report we introduce important software design characteristics of LIME, describe key components of a typical multiphysics application that might be created using LIME, and provide basic examples of its use - including the customized software that must be written by a user. We also describe the types of modifications that may be needed to individual physics codes in order for them to be incorporated into a LIME-based multiphysics application.
Coupled model simulations of climate changes in the 20th century and beyond
Yu, Yongqiang; Zhi, Hai; Wang, Bin; Wan, Hui; Li, Chao; Liu, Hailong; Li, Wei; Zheng, Weipeng; Zhou, Tianjun
2008-07-01
Several scenario experiments of the IPCC 4th Assessment Report (AR4) are performed by version g1.0 of a Flexible coupled Ocean-Atmosphere-Land System Model (FGOALS) developed at the Institute of Atmospheric Physics, Chinese Academy of Sciences (IAP/CAS), including the “Climate of the 20th century experiment”, “CO2 1% increase per year to doubling experiment” and two separate IPCC greenhouse gases emission scenarios A1B and B1 experiments. To distinguish between the different impacts of natural variations and human activities on the climate change, three-member ensemble runs are performed for each scenario experiment. The coupled model simulations show: (1) from 1900 to 2000, the global mean temperature increases about 0.5°C and the major increase occurs during the later half of the 20th century, which is in consistent with the observations that highlights the coupled model’s ability to reproduce the climate changes since the industrial revolution; (2) the global mean surface air temperature increases about 1.6°C in the CO2 doubling experiment and 1.5°C and 2.4°C in the A1B and B1 scenarios, respectively. The global warming is indicated by not only the changes of the surface temperature and precipitation but also the temperature increase in the deep ocean. The thermal expansion of the sea water would induce the rise of the global mean sea level. Both the control run and the 20th century climate change run are carried out again with version g1.1 of FGOALS, in which the cold biases in the high latitudes were removed. They are then compared with those from version g1.0 of FGOALS in order to distinguish the effect of the model biases on the simulation of global warming.
Directory of Open Access Journals (Sweden)
Tao Wang
Full Text Available Seasonal snow cover in the Northern Hemisphere is the largest component of the terrestrial cryosphere and plays a major role in the climate system through strong positive feedbacks related to albedo. The snow-albedo feedback is invoked as an important cause for the polar amplification of ongoing and projected climate change, and its parameterization across models is an important source of uncertainty in climate simulations. Here, instead of developing a physical snow albedo scheme, we use a direct insertion approach to assimilate satellite-based surface albedo during the snow season (hereafter as snow albedo assimilation into the land surface model ORCHIDEE (ORganizing Carbon and Hydrology In Dynamic EcosystEms and assess the influences of such assimilation on offline and coupled simulations. Our results have shown that snow albedo assimilation in both ORCHIDEE and ORCHIDEE-LMDZ (a general circulation model of Laboratoire de Météorologie Dynamique improve the simulation accuracy of mean seasonal (October throughout May snow water equivalent over the region north of 40 degrees. The sensitivity of snow water equivalent to snow albedo assimilation is more pronounced in the coupled simulation than the offline simulation since the feedback of albedo on air temperature is allowed in ORCHIDEE-LMDZ. We have also shown that simulations of air temperature at 2 meters in ORCHIDEE-LMDZ due to snow albedo assimilation are significantly improved during the spring in particular over the eastern Siberia region. This is a result of the fact that high amounts of shortwave radiation during the spring can maximize its snow albedo feedback, which is also supported by the finding that the spatial sensitivity of temperature change to albedo change is much larger during the spring than during the autumn and winter. In addition, the radiative forcing at the top of the atmosphere induced by snow albedo assimilation during the spring is estimated to be -2.50 W m-2, the
Energy Technology Data Exchange (ETDEWEB)
Kim, Jihoon; Moridis, George J.
2013-10-01
We developed a hydraulic fracturing simulator by coupling a flow simulator to a geomechanics code, namely T+M simulator. Modeling of the vertical fracture development involves continuous updating of the boundary conditions and of the data connectivity, based on the finite element method for geomechanics. The T+M simulator can model the initial fracture development during the hydraulic fracturing operations, after which the domain description changes from single continuum to double or multiple continua in order to rigorously model both flow and geomechanics for fracture-rock matrix systems. The T+H simulator provides two-way coupling between fluid-heat flow and geomechanics, accounting for thermoporomechanics, treats nonlinear permeability and geomechanical moduli explicitly, and dynamically tracks changes in the fracture(s) and in the pore volume. We also fully accounts for leak-off in all directions during hydraulic fracturing. We first validate the T+M simulator, matching numerical solutions with the analytical solutions for poromechanical effects, static fractures, and fracture propagations. Then, from numerical simulation of various cases of the planar fracture propagation, shear failure can limit the vertical fracture propagation of tensile failure, because of leak-off into the reservoirs. Slow injection causes more leak-off, compared with fast injection, when the same amount of fluid is injected. Changes in initial total stress and contributions of shear effective stress to tensile failure can also affect formation of the fractured areas, and the geomechanical responses are still well-posed.
Nedea, S.V.; Frijns, A.J.H.; Steenhoven, van A.A.; Markvoort, Albert. J.; Hilbers, P.A.J.
2005-01-01
We combine molecular dynamics (MD) and Monte Carlo (MC) simulations to study the properties of gas molecules confined between two hard walls of a microchannel or nanochannel. The coupling between MD and MC simulations is introduced by performing MD near the boundaries for accuracy and MC in the bulk
Merkin, V. G.; Wiltberger, M. J.; Zhang, B.; Liu, J.; Wang, W.; Dimant, Y. S.; Oppenheim, M. M.; Lyon, J.
2017-12-01
During geomagnetic storms the magnetosphere-ionosphere-thermosphere system becomes activated in ways that are unique to disturbed conditions. This leads to emergence of physical feedback loops that provide tighter coupling between the system elements, often operating across disparate spatial and temporal scales. One such process that has recently received renewed interest is the generation of microscopic ionospheric turbulence in the electrojet regions (electrojet turbulence, ET) that results from strong convective electric fields imposed by the solar wind-magnetosphere interaction. ET leads to anomalous electron heating and generation of non-linear Pedersen current - both of which result in significant increases in effective ionospheric conductances. This, in turn, provides strong non-linear feedback on the magnetosphere. Recently, our group has published two studies aiming at a comprehensive analysis of the global effects of this microscopic process on the magnetosphere-ionosphere-thermosphere system. In one study, ET physics was incorporated in the TIEGCM model of the ionosphere-thermosphere. In the other study, ad hoc corrections to the ionospheric conductances based on ET theory were incorporated in the conductance module of the Lyon-Fedder-Mobarry (LFM) global magnetosphere model. In this presentation, we make the final step toward the full coupling of the microscopic ET physics within our global coupled model including LFM, the Rice Convection Model (RCM) and TIEGCM. To this end, ET effects are incorporated in the TIEGCM model and propagate throughout the system via thus modified TIEGCM conductances. The March 17, 2013 geomagnetic storm is used as a testbed for these fully coupled simulations, and the results of the model are compared with various ionospheric and magnetospheric observatories, including DMSP, AMPERE, and Van Allen Probes. Via these comparisons, we investigate, in particular, the ET effects on the global magnetosphere indicators such as the
Optimizing load transfer in multiwall nanotubes through interwall coupling: Theory and simulation
International Nuclear Information System (INIS)
Byrne, E.M.; Letertre, A.; McCarthy, M.A.; Curtin, W.A.; Xia, Z.
2010-01-01
An analytical model is developed to determine the length scales over which load is transferred from outer to inner walls of multiwall carbon nanotubes (MWCNTs) as a function of the amount of bonding between walls. The model predicts that the characteristic length for load transfer scales as l∼t√(E/μ-bar), where t is the CNT wall spacing, E is the effective wall Young's modulus, and μ-bar is the average interwall shear modulus due to interwall coupling. Molecular dynamics simulations for MWCNTs with up to six walls, and with interwall coupling achieved by interwall sp 3 bonding at various densities, provide data against which the model is tested. For interwall bonding having a uniform axial distribution, the analytic and simulation models agree well, showing that continuum mechanics concepts apply down to the atomic scale in this problem. The simulation models show, however, that load transfer is sensitive to natural statistical fluctuations in the spatial distribution of the interwall bonding between pairs of walls, and such fluctuations generally increase the net load transfer length needed to fully load an MWCNT. Optimal load transfer is achieved when bonding is uniformly distributed axially, and all interwall regions have the same shear stiffness, implying a linear decrease in the number of interwall bonds with distance from the outer wall. Optimal load transfer into an n-wall MWCNT is shown to occur over a length of ∼1.5nl. The model can be used to design MWCNTs for structural materials, and to interpret load transfer characteristics deduced from experiments on individual MWCNTs.
A transient fully coupled climate-ice-sheet simulation of the last glacial inception
Lofverstrom, M.; Otto-Bliesner, B. L.; Lipscomb, W. H.; Fyke, J. G.; Marshall, S.; Sacks, B.; Brady, E. C.
2017-12-01
The last glacial inception occurred around 115 ka, following a relative minimum in the Northern Hemisphere summer insolation. It is believed that small and spatially separated ice caps initially formed in the high elevation regions of northern Canada, Scandinavia, and along the Siberian Arctic coast. These ice caps subsequently migrated down in the valleys where they coalesced and formed the initial seeds of the large coherent ice masses that covered the northern parts of the North American and Eurasian continents over most of the last glacial cycle. Sea level records show that the initial growth period lasted for about 10 kyrs, and the resulting ice sheets may have lowered the global sea level by as much as 30 to 50 meters. Here we examine the transient climate system evolution over the period between 118 and 110 ka, using the fully coupled Community Earth System Model, version 2 (CESM2). This model features a two-way coupled high-resolution (4x4 km) ice-sheet component (Community Ice Sheet model, version 2; CISM2) that simulates ice sheets as an interactive component of the climate system. We impose a transient forcing protocol where the greenhouse gas concentrations and the orbital parameters follow the nominal year in the simulation; the model topography is also dynamically evolving in order to reflect changes in ice elevation throughout the simulation. The analysis focuses on how the climate system evolves over this time interval, with a special focus on glacial inception in the high-latitude continents. Results will highlight how the evolving ice sheets compare to data and previous model based reconstructions.
Merlis, Timothy M.; Held, Isaac M.; Stenchikov, Georgiy L.; Zeng, Fanrong; Horowitz, Larry W.
2014-01-01
Coupled climate model simulations of volcanic eruptions and abrupt changes in CO2 concentration are compared in multiple realizations of the Geophysical Fluid Dynamics Laboratory Climate Model, version 2.1 (GFDL CM2.1). The change in global-mean surface temperature (GMST) is analyzed to determine whether a fast component of the climate sensitivity of relevance to the transient climate response (TCR; defined with the 1%yr-1 CO2-increase scenario) can be estimated from shorter-time-scale climate changes. The fast component of the climate sensitivity estimated from the response of the climate model to volcanic forcing is similar to that of the simulations forced by abrupt CO2 changes but is 5%-15% smaller than the TCR. In addition, the partition between the top-of-atmosphere radiative restoring and ocean heat uptake is similar across radiative forcing agents. The possible asymmetry between warming and cooling climate perturbations, which may affect the utility of volcanic eruptions for estimating the TCR, is assessed by comparing simulations of abrupt CO2 doubling to abrupt CO2 halving. There is slightly less (~5%) GMST change in 0.5 × CO2 simulations than in 2 × CO2 simulations on the short (~10 yr) time scales relevant to the fast component of the volcanic signal. However, inferring the TCR from volcanic eruptions is more sensitive to uncertainties from internal climate variability and the estimation procedure. The response of the GMST to volcanic eruptions is similar in GFDL CM2.1 and GFDL Climate Model, version 3 (CM3), even though the latter has a higher TCR associated with a multidecadal time scale in its response. This is consistent with the expectation that the fast component of the climate sensitivity inferred from volcanic eruptions is a lower bound for the TCR.
Merlis, Timothy M.
2014-10-01
Coupled climate model simulations of volcanic eruptions and abrupt changes in CO2 concentration are compared in multiple realizations of the Geophysical Fluid Dynamics Laboratory Climate Model, version 2.1 (GFDL CM2.1). The change in global-mean surface temperature (GMST) is analyzed to determine whether a fast component of the climate sensitivity of relevance to the transient climate response (TCR; defined with the 1%yr-1 CO2-increase scenario) can be estimated from shorter-time-scale climate changes. The fast component of the climate sensitivity estimated from the response of the climate model to volcanic forcing is similar to that of the simulations forced by abrupt CO2 changes but is 5%-15% smaller than the TCR. In addition, the partition between the top-of-atmosphere radiative restoring and ocean heat uptake is similar across radiative forcing agents. The possible asymmetry between warming and cooling climate perturbations, which may affect the utility of volcanic eruptions for estimating the TCR, is assessed by comparing simulations of abrupt CO2 doubling to abrupt CO2 halving. There is slightly less (~5%) GMST change in 0.5 × CO2 simulations than in 2 × CO2 simulations on the short (~10 yr) time scales relevant to the fast component of the volcanic signal. However, inferring the TCR from volcanic eruptions is more sensitive to uncertainties from internal climate variability and the estimation procedure. The response of the GMST to volcanic eruptions is similar in GFDL CM2.1 and GFDL Climate Model, version 3 (CM3), even though the latter has a higher TCR associated with a multidecadal time scale in its response. This is consistent with the expectation that the fast component of the climate sensitivity inferred from volcanic eruptions is a lower bound for the TCR.
Simulation of hybrid ground-coupled heat pump with domestic hot water heating systems using HVACSIM+
Energy Technology Data Exchange (ETDEWEB)
Cui, Ping; Yang, Hongxing [Department of Building Services Engineering, The Hong Kong Polytechnic University, Hong Kong (China); Spitler, Jeffrey D. [School of Mechanical Engineering, Oklahoma State University (United States); Fang, Zhaohong [Ground Source Heat Pump Research Center, Shandong University of Architecture and Engineering, Jinan (China)
2008-07-01
A hybrid ground-coupled heat pump (HGCHP) with domestic hot water (DHW) supply system has been proposed in this paper for space cooling/heating and DHW supply for residential buildings in hot-climate areas. A simulation model for this hybrid system is established within the HVACSIM+ environment. A sample system, applied for a small residential apartment located in Hong Kong, is hourly simulated in a typical meteorological year. The conventional GCHP system and an electric heater for DHW supply are also modeled and simulated on an hourly basis within the HVACSIM+ for comparison purpose. The results obtained from this case study show that the HGCHP system can effectively alleviate the imbalanced loads of the ground heat exchanger (GHE) and can offer almost 95% DHW demand. The energy saving for DHW heating is about 70% compared with an electric heater. This proposed scheme, i.e. the HGCHP with DHW supply, is suitable to residential buildings in hot-climate areas, such as in Hong Kong. (author)
Simulation of the photodetachment spectrum of HHfO- using coupled-cluster calculations
Mok, Daniel K. W.; Dyke, John M.; Lee, Edmond P. F.
2016-12-01
The photodetachment spectrum of HHfO- was simulated using restricted-spin coupled-cluster single-double plus perturbative triple {RCCSD(T)} calculations performed on the ground electronic states of HHfO and HHfO-, employing basis sets of up to quintuple-zeta quality. The computed RCCSD(T) electron affinity of 1.67 ± 0.02 eV at the complete basis set limit, including Hf 5s25p6 core correlation and zero-point energy corrections, agrees well with the experimental value of 1.70 ± 0.05 eV from a recent photodetachment study [X. Li et al., J. Chem. Phys. 136, 154306 (2012)]. For the simulation, Franck-Condon factors were computed which included allowances for anharmonicity and Duschinsky rotation. Comparisons between simulated and experimental spectra confirm the assignments of the molecular carrier and electronic states involved but suggest that the experimental vibrational structure has suffered from poor signal-to-noise ratio. An alternative assignment of the vibrational structure to that suggested in the experimental work is presented.
Simulations of future climate with a coupled atmosphere-ocean general circulation model
International Nuclear Information System (INIS)
Stendel, M.; Schmith, T.; Hesselbjerg Christensen, J.
2001-01-01
A coupled atmosphere/ocean general circulation model to study the time-dependent climate response to changing concentrations of greenhouse gases, chlorofluorocarbons and aerosols according to the new IPCC SRES scenarios A2 and B2 has been used. The results of these experiments are compared to an unforced 300-year control experiment. The changes in the last three decades of the scenario simulations (2071-2100) are furthermore compared to the simulation of present-day climate (1961-1990). In accordance with previous experiments we find that greenhouse warming is reduced when aerosol effects are considered. Sulfur emissions, however, are lower than in the IS92a scenario. Consequently, the greenhouse warming effect, which leads to a bigger temperature increase than in the GSDIO experiment can outweigh the aerosol cooling effect. The result shows that there still are serious difficulties and uncertainties in this type of model simulation. Those are partially due to oversimplifications in the model, concerning the radiative properties of aerosols in particular, and therefore the indirect aerosol effect. Another inherent problem, however, is the uncertainty in the scenarios themselves. This is the case for short-lived substances with an inhomogeneous spatial and temporal distribution, such as aerosols. Therefore, on a decadal horizon, changes in the emissions of those substance can exert a significant effect on anthropogenic climate change. (LN)
Stochastic four-way coupling of gas-solid flows for Large Eddy Simulations
Curran, Thomas; Denner, Fabian; van Wachem, Berend
2017-11-01
The interaction of solid particles with turbulence has for long been a topic of interest for predicting the behavior of industrially relevant flows. For the turbulent fluid phase, Large Eddy Simulation (LES) methods are widely used for their low computational cost, leaving only the sub-grid scales (SGS) of turbulence to be modelled. Although LES has seen great success in predicting the behavior of turbulent single-phase flows, the development of LES for turbulent gas-solid flows is still in its infancy. This contribution aims at constructing a model to describe the four-way coupling of particles in an LES framework, by considering the role particles play in the transport of turbulent kinetic energy across the scales. Firstly, a stochastic model reconstructing the sub-grid velocities for the particle tracking is presented. Secondly, to solve particle-particle interaction, most models involve a deterministic treatment of the collisions. We finally introduce a stochastic model for estimating the collision probability. All results are validated against fully resolved DNS-DPS simulations. The final goal of this contribution is to propose a global stochastic method adapted to two-phase LES simulation where the number of particles considered can be significantly increased. Financial support from PetroBras is gratefully acknowledged.
Andrew, Marilee A.; Brayman, Andrew A.; Kaczkowski, Peter J.; Kargl, Steven G.
2004-05-01
The use of moving high intensity focused ultrasound (HIFU) treatment protocols is of interest in achieving efficient formation of large-volume lesions in tissue. However, potentially unwanted thermal effects, such as prefocal heating, should be considered. A KZK acoustic model coupled with the BioHeat Transfer Equation has been extended to simulate multiple, moving scans in tissue. Simulation results are compared with experimental data collected over a range of exposure regimes for linear and concentric circular scans with a 3.5-MHz single-element transducer in ex vivo bovine liver. Of particular interest are investigating prefocal thermal buildup and ablating the central core of a circular pattern through conductive heating, that is without direct HIFU exposure. Qualitative agreement is observed between experimental and simulated data; limits of the predictive capability of the model in cavitation regimes will be discussed. [Support provided by the U.S. Army Medical Research Acquisition Activity through The University of Mississippi under terms of Agreement No. DAMD17-02-2-0014. The opinions expressed herein are those of the author(s) and do not necessarily reflect the views of U.S. Army Medical Research Acquisition Activity or The University of Mississippi.
Efficient simulations of fluid flow coupled with poroelastic deformations in pleated filters
Calo, Victor M.
2015-04-27
Pleated filters are broadly used for various applications. In certain cases, especially in solid-liquid separation case, the filtering media may get deflected and that may change the overall performance characteristics of the filter. From the modeling point of view, this is a challenging multiphysics problem, namely the interaction of the fluid with a so-called poroelastic structure. This work focuses on the development of an algorithm for the simulation of the Fluid Porous Structure Interaction (FPSI) problem in the case of pleated filtering media. The first part of the work is concerned with the development of a robust and accurate numerical method for solving the Stokes-Brinkman system of equations on quadrilateral grids. The mathematical model describes a free fluid flow coupled with a flow in porous media in a domain that contains the filtering media. To discretize the complex computational domain we use quadrilateral boundary fitted grids which resolve porous-fluid interfaces. The Stokes-Brinkman system of equations is discretized here using a sophisticated finite volume method, namely multi-point flux approximation (MPFA) O-method. MPFA is widely used, e.g., in solving scalar elliptic equations with full tensor and highly varying coefficients and/or solving on heterogeneous non-orthogonalgrids. Up to the authors’ knowledge, there was no investigation of MPFA discretization for Stokes-Brinkman problems, and this study aims to fill this gap. Some numerical experiments are presented in order to demonstrate the robustness of the proposed numerical algorithm[1]. The second part of this study focuses on the coupling of the flow model with the deflection of the filtering media. For the consideration of the FPSI problem in 3D, the classical Biot system describes coupled flow and deformations in a porous body due to difference in the upstream and downstream pressures. Solving the Biot system of equations is complicated and requires a significant amount of
A coupled CFD and wake model simulation of helicopter rotor in hover
Zhao, Qinghe; Li, Xiaodong
2018-03-01
The helicopter rotor wake plays a dominant role since it affects the flow field structure. It is very difficult to predict accurately of the flow-field. The numerical dissipation is so excessive that it eliminates the vortex structure. A hybrid method of CFD and prescribed wake model was constructed by applying the prescribed wake model as much as possible. The wake vortices were described as a single blade tip vortex in this study. The coupling model is used to simulate the flow field. Both non-lifting and lifting cases have been calculated with subcritical and supercritical tip Mach numbers. Surface pressure distributions are presented and compared with experimental data. The calculated results agree well with the experimental data.
Cartesian coupled coherent states simulations: Ne(n)Br2 dissociation as a test case.
Reed, Stewart K; González-Martínez, Maykel L; Rubayo-Soneira, Jesús; Shalashilin, Dmitrii V
2011-02-07
In this article, we describe coupled coherent states (CCS) simulations of vibrational predissociation of weakly bounded complexes. The CCS method is implemented in the Cartesian frame in a manner that is similar to classical molecular dynamics. The calculated lifetimes of the vibrationally excited Ne-Br(2)(ν) complexes agree with experiment and previous calculations. Although the CCS method is, in principle, a fully quantum approach, in practice it typically becomes a semiclassical technique at long times. This is especially true following dissociation events. Consequently, it is very difficult to converge the quantum calculations of the final Br(2) vibrational distributions after predissociation and of the autocorrelation functions. However, the main advantage of the method is that it can be applied with relative ease to determine the lifetimes of larger complexes and, in order to demonstrate this, preliminary results for tetra- and penta-atomic clusters are reported.
An improved hybrid topology optimization approach coupling simulated annealing and SIMP (SA-SIMP)
International Nuclear Information System (INIS)
Garcia-Lopez, N P; Sanchez-Silva, M; Medaglia, A L; Chateauneuf, A
2010-01-01
The Solid Isotropic Material with Penalization (SIMP) methodology has been used extensively due to its versatility and ease of implementation. However, one of its main drawbacks is that resulting topologies exhibit areas of intermediate densities which lack any physical meaning. This paper presents a hybrid methodology which couples simulated annealing and SIMP (SA-SIMP) in order to achieve solutions which are stiffer and predominantly black and white. Under a look-ahead strategy, the algorithm gradually fixes or removes those elements whose density resulting from SIMP is intermediate. Different strategies for selecting and fixing the fractional elements are examined using benchmark examples, which show that topologies resulting from SA-SIMP are more rigid than SIMP and predominantly black and white.
Numerical Simulation of CO2 Flooding of Coalbed Methane Considering the Fluid-Solid Coupling Effect.
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Jianjun Liu
Full Text Available CO2 flooding of coalbed methane (CO2-ECBM not only stores CO2 underground and reduces greenhouse gas emissions but also enhances the gas production ratio. This coupled process involves multi-phase fluid flow and coal-rock deformation, as well as processes such as competitive gas adsorption and diffusion from the coal matrix into fractures. A dual-porosity medium that consists of a matrix and fractures was built to simulate the flooding process, and a mathematical model was used to consider the competitive adsorption, diffusion and seepage processes and the interaction between flow and deformation. Due to the effects of the initial pressure and the differences in pressure variation during the production process, permeability changes caused by matrix shrinkage were spatially variable in the reservoir. The maximum value of permeability appeared near the production well, and the degree of rebound decreased with increasing distance from the production well.
Energy Technology Data Exchange (ETDEWEB)
Tikare, Veena [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Hernandez-Rivera, Efrain [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Madison, Jonathan D. [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Holm, Elizabeth Ann [Carnegie Mellon Univ., Pittsburgh, PA (United States); Patterson, Burton R. [Univ. of Florida, Gainesville, FL (United States). Dept. of Materials Science and Engineering; Homer, Eric R. [Brigham Young Univ., Provo, UT (United States). Dept. of Mechanical Engineering
2013-09-01
Most materials microstructural evolution processes progress with multiple processes occurring simultaneously. In this work, we have concentrated on the processes that are active in nuclear materials, in particular, nuclear fuels. These processes are coarsening, nucleation, differential diffusion, phase transformation, radiation-induced defect formation and swelling, often with temperature gradients present. All these couple and contribute to evolution that is unique to nuclear fuels and materials. Hybrid model that combines elements from the Potts Monte Carlo, phase-field models and others have been developed to address these multiple physical processes. These models are described and applied to several processes in this report. An important feature of the models developed are that they are coded as applications within SPPARKS, a Sandiadeveloped framework for simulation at the mesoscale of microstructural evolution processes by kinetic Monte Carlo methods. This makes these codes readily accessible and adaptable for future applications.
Energy Technology Data Exchange (ETDEWEB)
Niedermayer, U., E-mail: niedermayer@temf.tu-darmstadt.de [Institut für Theorie Elektromagnetischer Felder (TEMF), Technische Universität Darmstadt, Schloßgartenstraße 8, 64289 Darmstadt (Germany); Eidam, L. [Institut für Theorie Elektromagnetischer Felder (TEMF), Technische Universität Darmstadt, Schloßgartenstraße 8, 64289 Darmstadt (Germany); Boine-Frankenheim, O. [Institut für Theorie Elektromagnetischer Felder (TEMF), Technische Universität Darmstadt, Schloßgartenstraße 8, 64289 Darmstadt (Germany); GSI Helmholzzentrum für Schwerionenforschung, Planckstraße 1, 64291 Darmstadt (Germany)
2015-03-11
First, a generalized theoretical approach towards beam coupling impedances and stretched-wire measurements is introduced. Applied to a circular symmetric setup, this approach allows to compare beam and wire impedances. The conversion formulas for TEM scattering parameters from measurements to impedances are thoroughly analyzed and compared to the analytical beam impedance solution. A proof of validity for the distributed impedance formula is given. The interaction of the beam or the TEM wave with dispersive material such as ferrite is discussed. The dependence of the obtained beam impedance on the relativistic velocity β is investigated and found as material property dependent. Second, numerical simulations of wakefields and scattering parameters are compared. The applicability of scattering parameter conversion formulas for finite device length is investigated. Laboratory measurement results for a circularly symmetric test setup, i.e. a ferrite ring, are shown and compared to analytic and numeric models. The optimization of the measurement process and error reduction strategies are discussed.
Simulation of dust particles in dual-frequency capacitively coupled silane discharges
International Nuclear Information System (INIS)
Liu Xiangmei; Song Yuanhong; Xu Xiang; Wang Younian
2010-01-01
The behavior of nanoparticles in dual-frequency capacitively coupled silane discharges is investigated by employing a one-dimensional self-consistent fluid model. The numerical simulation tries to trace the formation, charging, growth, and transport of dust particles during the discharge, under the influences of the high- and low-frequency electric sources, as well as the gas pressure. The effects of the presence of the nanoparticles and larger anions on the plasma properties are also discussed, especially, for the bulk potential, electron temperature, and densities of various particles. The calculation results show that the nanoparticle density and charge distribution are mainly influenced by the voltage and frequency of the high-frequency source, while the voltage of the low-frequency source can also exert an effect on the nanoparticle formation, compared with the frequency. As the discharge lasts, the electric potential and electron density keep decreasing, while the electron temperature gets increasing after a sudden drop.
International Nuclear Information System (INIS)
Ter Maat, H.W.; Hutjes, R.W.A.; Miglietta, F.; Gioli, B.; Bosveld, F.C.; Vermeulen, A.T.; Fritsch, H.
2010-08-01
This paper is a case study to investigate what the main controlling factors are that determine atmospheric carbon dioxide content for a region in the centre of The Netherlands. We use the Regional Atmospheric Modelling System (RAMS), coupled with a land surface scheme simulating carbon, heat and momentum fluxes (SWAPS-C), and including also submodels for urban and marine fluxes, which in principle should include the dominant mechanisms and should be able to capture the relevant dynamics of the system. To validate the model, observations are used that were taken during an intensive observational campaign in central Netherlands in summer 2002. These include flux-tower observations and aircraft observations of vertical profiles and spatial fluxes of various variables.
Climate effects of anthropogenic sulfate: Simulations from a coupled chemistry/climate model
International Nuclear Information System (INIS)
Chuang, C.C.; Penner, J.E.; Taylor, K.E.; Walton, J.J.
1993-09-01
In this paper, we use a more comprehensive approach by coupling a climate model with a 3-D global chemistry model to investigate the forcing by anthropogenic aerosol sulfate. The chemistry model treats the global-scale transport, transformation, and removal of SO 2 , DMS and H 2 SO 4 species in the atmosphere. The mass concentration of anthropogenic sulfate from fossil fuel combustion and biomass burning is calculated in the chemistry model and provided to the climate model where it affects the shortwave radiation. We also investigate the effect, with cloud nucleation parameterized in terms of local aerosol number, sulfate mass concentration and updraft velocity. Our simulations indicate that anthropogenic sulfate may result in important increases in reflected solar radiation, which would mask locally the radiative forcing from increased greenhouse gases. Uncertainties in these results will be discussed
Hybrid method based on embedded coupled simulation of vortex particles in grid based solution
Kornev, Nikolai
2017-09-01
The paper presents a novel hybrid approach developed to improve the resolution of concentrated vortices in computational fluid mechanics. The method is based on combination of a grid based and the grid free computational vortex (CVM) methods. The large scale flow structures are simulated on the grid whereas the concentrated structures are modeled using CVM. Due to this combination the advantages of both methods are strengthened whereas the disadvantages are diminished. The procedure of the separation of small concentrated vortices from the large scale ones is based on LES filtering idea. The flow dynamics is governed by two coupled transport equations taking two-way interaction between large and fine structures into account. The fine structures are mapped back to the grid if their size grows due to diffusion. Algorithmic aspects of the hybrid method are discussed. Advantages of the new approach are illustrated on some simple two dimensional canonical flows containing concentrated vortices.
Shin, Sun-Hee; Kim, Ok-Yeon; Kim, Dongmin; Lee, Myong-In
2017-07-01
Using 32 CMIP5 (Coupled Model Intercomparison Project Phase 5) models, this study examines the veracity in the simulation of cloud amount and their radiative effects (CREs) in the historical run driven by observed external radiative forcing for 1850-2005, and their future changes in the RCP (Representative Concentration Pathway) 4.5 scenario runs for 2006-2100. Validation metrics for the historical run are designed to examine the accuracy in the representation of spatial patterns for climatological mean, and annual and interannual variations of clouds and CREs. The models show large spread in the simulation of cloud amounts, specifically in the low cloud amount. The observed relationship between cloud amount and the controlling large-scale environment are also reproduced diversely by various models. Based on the validation metrics, four models—ACCESS1.0, ACCESS1.3, HadGEM2-CC, and HadGEM2-ES—are selected as best models, and the average of the four models performs more skillfully than the multimodel ensemble average. All models project global-mean SST warming at the increase of the greenhouse gases, but the magnitude varies across the simulations between 1 and 2 K, which is largely attributable to the difference in the change of cloud amount and distribution. The models that simulate more SST warming show a greater increase in the net CRE due to reduced low cloud and increased incoming shortwave radiation, particularly over the regions of marine boundary layer in the subtropics. Selected best-performing models project a significant reduction in global-mean cloud amount of about -0.99% K-1 and net radiative warming of 0.46 W m-2 K-1, suggesting a role of positive feedback to global warming.
International Nuclear Information System (INIS)
Terauchi, N.; Noguchi, S.; Igarashi, H.
2011-01-01
A superconducting film shield over a SQUID ring improves the robustness of the SQUID with respect to magnetic noise. Supercurrent in the SQUID magnetometer and the superconducting film shield were simulated. The superconducting film shield reduces the influence of the external magnetic field on the SQUID ring. An HTS SQUID is a high sensitive magnetic sensor. In recent years, the HTS SQUID is widely used in various applications. In some applications, high robustness with respect to magnetic noise is required to realize stable operation at outside of a magnetic shielding room. The target of this paper is a directly coupled HTS dc-SQUID magnetometer. To enhance the robustness of the SQUID magnetometer, use of a superconducting thin film shield has been proposed. The magnetic field directly penetrating the SQUID ring causes the change of the critical current of Josephson junction, and then the SQUID magnetometer transitions into inoperative state. In order to confirm the magnetic shield effect of the superconducting film shield, electromagnetic field simulation with 3D edge finite element method was performed. To simulate the high temperature superconductor, E-J characteristics and c-axis anisotropy are considered. To evaluate the effect of the superconducting film shield, an external magnetic field which is supposed to be a magnetic noise is applied. From the simulation results, the time transition of the magnetic flux penetrating the SQUID ring is investigated and the effect of the superconducting film shield is confirmed. The amplitude of the magnetic flux penetrating the SQUID ring can be reduced to about one-sixth since the superconducting film shield prevents the magnetic noise from directly penetrating the SQUID ring.
Shultz, Christopher D.; Bailey, Ryan T.; Gates, Timothy K.; Heesemann, Brent E.; Morway, Eric D.
2018-01-01
Elevated levels of selenium (Se) in aqueous environments can harm aquatic life and endanger livestock and human health. Although Se occurs naturally in the rocks and soils of many alluvial aquifers, mining and agricultural activities can increase its rate of mobilization and transport to surface waters. Attention is given here to regions where nonpoint source return flows from irrigated lands carry pollutant loads to aquifers and streams, contributing to concentrations that violate regulatory and performance standards. Of particular concern is the heightened level and mobilization of Se influenced by nitrate (NO3), a harmful pollutant in its own right. We present a numerical model that simulates the reactive transport of Se and nitrogen (N) species in a coupled groundwater-surface water system. Building upon a conceptual model that incorporates the major processes affecting Se and NO3 transport in an irrigated watershed, the model links the finite-difference models MODFLOW, UZF-RT3D, and OTIS, to simulate flow and reactive transport of multiple chemical species in both the aquifer and a stream network, with mass exchange between the two. The capability of the new model is showcased by calibration, testing, and application to a 500 km2 region in Colorado’s Lower Arkansas River Valley using a rich data set gathered over a 10-yr period. Simulation of spatial and temporal distributions of Se concentration reveals conditions that exceed standards in groundwater for approximately 20% of the area. For the Arkansas River, standards are exceeded by 290%–450%. Simulation indicates that river concentrations of NO3 alone are near the current interim standard for the total of all dissolved N species. These results indicate the need for future use of the developed model to investigate the prospects for land and water best management practices to decrease pollutant levels.
Applicability of mode-coupling theory to polyisobutylene: a molecular dynamics simulation study.
Khairy, Y; Alvarez, F; Arbe, A; Colmenero, J
2013-10-01
The applicability of Mode Coupling Theory (MCT) to the glass-forming polymer polyisobutylene (PIB) has been explored by using fully atomistic molecular dynamics simulations. MCT predictions for the so-called asymptotic regime have been successfully tested on the dynamic structure factor and the self-correlation function of PIB main-chain carbons calculated from the simulated cell. The factorization theorem and the time-temperature superposition principle are satisfied. A consistent fitting procedure of the simulation data to the MCT asymptotic power-laws predicted for the α-relaxation regime has delivered the dynamic exponents of the theory-in particular, the exponent parameter λ-the critical non-ergodicity parameters, and the critical temperature T(c). The obtained values of λ and T(c) agree, within the uncertainties involved in both studies, with those deduced from depolarized light scattering experiments [A. Kisliuk et al., J. Polym. Sci. Part B: Polym. Phys. 38, 2785 (2000)]. Both, λ and T(c)/T(g) values found for PIB are unusually large with respect to those commonly obtained in low molecular weight systems. Moreover, the high T(c)/T(g) value is compatible with a certain correlation of this parameter with the fragility in Angell's classification. Conversely, the value of λ is close to that reported for real polymers, simulated "realistic" polymers and simple polymer models with intramolecular barriers. In the framework of the MCT, such finding should be the signature of two different mechanisms for the glass-transition in real polymers: intermolecular packing and intramolecular barriers combined with chain connectivity.
One-way-coupling simulation of cavitation accompanied by high-speed droplet impact
Energy Technology Data Exchange (ETDEWEB)
Kondo, Tomoki; Ando, Keita, E-mail: kando@mech.keio.ac.jp [Department of Mechanical Engineering, Keio University, 3-14-1 Hiyoshi, Kohoku-ku, Yokohama 223-8522 (Japan)
2016-03-15
Erosion due to high-speed droplet impact is a crucial issue in industrial applications. The erosion is caused by the water-hammer loading on material surfaces and possibly by the reloading from collapsing cavitation bubbles that appear within the droplet. Here, we simulate the dynamics of cavitation bubbles accompanied by high-speed droplet impact against a deformable wall in order to see whether the bubble collapse is violent enough to give rise to cavitation erosion on the wall. The evolution of pressure waves in a single water (or gelatin) droplet to collide with a deformable wall at speed up to 110 m/s is inferred from simulations of multicomponent Euler flow where phase changes are not permitted. Then, we examine the dynamics of cavitation bubbles nucleated from micron/submicron-sized gas bubble nuclei that are supposed to exist inside the droplet. For simplicity, we perform Rayleigh–Plesset-type calculations in a one-way-coupling manner, namely, the bubble dynamics are determined according to the pressure variation obtained from the Euler flow simulation. In the simulation, the preexisting bubble nuclei whose size is either micron or submicron show large growth to submillimeters because tension inside the droplet is obtained through interaction of the pressure waves and the droplet interface; this supports the possibility of having cavitation due to the droplet impact. It is also found, in particular, for the case of cavitation arising from very small nuclei such as nanobubbles, that radiated pressure from the cavitation bubble collapse can overwhelm the water-hammer pressure directly created by the impact. Hence, cavitation may need to be accounted for when it comes to discussing erosion in the droplet impact problem.
Shultz, Christopher D.; Bailey, Ryan T.; Gates, Timothy K.; Heesemann, Brent E.; Morway, Eric D.
2018-05-01
Elevated levels of selenium (Se) in aqueous environments can harm aquatic life and endanger livestock and human health. Although Se occurs naturally in the rocks and soils of many alluvial aquifers, mining and agricultural activities can increase its rate of mobilization and transport to surface waters. Attention is given here to regions where nonpoint source return flows from irrigated lands carry pollutant loads to aquifers and streams, contributing to concentrations that violate regulatory and performance standards. Of particular concern is the heightened level and mobilization of Se influenced by nitrate (NO3), a harmful pollutant in its own right. We present a numerical model that simulates the reactive transport of Se and nitrogen (N) species in a coupled groundwater-surface water system. Building upon a conceptual model that incorporates the major processes affecting Se and NO3 transport in an irrigated watershed, the model links the finite-difference models MODFLOW, UZF-RT3D, and OTIS, to simulate flow and reactive transport of multiple chemical species in both the aquifer and a stream network, with mass exchange between the two. The capability of the new model is showcased by calibration, testing, and application to a 500 km2 region in Colorado's Lower Arkansas River Valley using a rich data set gathered over a 10-yr period. Simulation of spatial and temporal distributions of Se concentration reveals conditions that exceed standards in groundwater for approximately 20% of the area. For the Arkansas River, standards are exceeded by 290%-450%. Simulation indicates that river concentrations of NO3 alone are near the current interim standard for the total of all dissolved N species. These results indicate the need for future use of the developed model to investigate the prospects for land and water best management practices to decrease pollutant levels.
International Nuclear Information System (INIS)
Zarrella, Angelo; De Carli, Michele; Peretti, Clara
2014-01-01
Highlights: • The floor radiant cooling in a typical apartment is analyzed. • Dehumidification devices, fan-coil and mechanical ventilation are compared. • The results are analyzed in terms of both thermal comfort and energy consumption. • The energy consumption of the dehumidifiers is higher than that of other systems. • The mechanical ventilation decreases the moisture level better than other systems. - Abstract: The development of radiant cooling has stimulated an interest in new systems based on coupling ventilation with radiant cooling. However, radiant cooling systems may cause condensation to form on an active surface under warm and humid conditions during the cooling season. This phenomenon occurs when surface temperature falls below dew point. To prevent condensation, air humidity needs to be reduced with a dehumidification device or a mechanical ventilation system. There are two main options to achieve this. The first is to use dehumidification devices that reduce humidity, but are not coupled with ventilation, i.e. devices that handle room air and leave air change to infiltrations. The second is to combine a mechanical ventilation system with dehumidifying finned coils. This study analyzes the floor radiant cooling of a typical residential apartment within a multi-storey building in three Italian climate zones by means of a detailed simulation tool. Five systems were compared in terms of both indoor thermal comfort and energy consumption: radiant cooling without dehumidification; radiant cooling with a soft dehumidification device; radiant cooling with a dehumidification device which also supplies sensible cooling; radiant cooling coupled with fan coils; and radiant cooling with a mechanical ventilation system which dehumidifies and cools
Nagura, M.; Sasaki, W.; Tozuka, T.; Luo, J.; Behera, S. K.; Yamagata, T.
2012-12-01
The upwelling dome of the southern tropical Indian Ocean is examined by using simulated results from 34 ocean-atmosphere coupled general circulation models (CGCMs) including those from the phase five of the Coupled Model Intercomparison Project (CMIP5). Among the current set of the 34 CGCMs, 12 models erroneously produce the upwelling dome in the eastern half of the basin while the observed Seychelles Dome is located in the southwestern tropical Indian Ocean (Figure 1). The annual mean Ekman pumping velocity is almost zero in the southern off-equatorial region in these models. This is in contrast with the observations that show Ekman upwelling as the cause of the Seychelles Dome. In the models that produce the dome in the eastern basin, the easterly biases are prominent along the equator in boreal summer and fall that cause shallow thermocline biases along the Java and Sumatra coasts via Kelvin wave dynamics and result in a spurious upwelling dome there. In addition, these models tend to overestimate (underestimate) the magnitude of annual (semiannual) cycle of thermocline depth variability in the dome region, which is another consequence of the easterly wind biases in boreal summer-fall. Compared to the CMIP3 models (Yokoi et al. 2009), the CMIP5 models are even worse in simulating the dome longitudes and magnitudes of annual and semiannual cycles of thermocline depth variability in the dome region. Considering the increasing need to understand regional impacts of climate modes, these results may give serious caveats to interpretation of model results and help in further model developments.; Figure 1: The longitudes of the shallowest annual-mean D20 in 5°S-12°S. The open and filled circles are for the observations and the CGCMs, respectively.
Hydrology and phosphorus transport simulation in a lowland polder by a coupled modeling system.
Yan, Renhua; Huang, Jiacong; Li, Lingling; Gao, Junfeng
2017-08-01
Modeling the rain-runoff processes and phosphorus transport processes in lowland polders is critical in finding reasonable measures to alleviate the eutrophication problem of downstream rivers and lakes. This study develops a lowland Polder Hydrology and Phosphorus modeling System (PHPS) by coupling the WALRUS-paddy model and an improved phosphorus module of a Phosphorus Dynamic model for lowland Polder systems (PDP). It considers some important hydrological characteristics, such as groundwater-unsaturated zone coupling, groundwater-surface water feedback, human-controlled irrigation and discharge, and detailed physical and biochemical cycles of phosphorus in surface water. The application of the model in the Jianwei polder shows that the simulated phosphorus matches well with the measured values. The high precision of this model combined with its low input data requirement and efficient computation make it practical and easy to the water resources management of Chinese polders. Parameter sensitivity analysis demonstrates that K uptake , c Q2 , c W1 , and c Q1 exert a significant effect on the modeled results, whereas K resuspensionMax , K settling , and K mineralization have little effect on the modeled total phosphorus. Among the three types of uncertainties (i.e., parameter, initial condition, and forcing uncertainties), forcing uncertainty produces the strongest effect on the simulated phosphorus. Based on the analysis result of annual phosphorus balance when considering the high import from irrigation and fertilization, lowland polder is capable of retaining phosphorus and reducing phosphorus export to surrounding aquatic ecosystems because of their special hydrological regulation regime. Copyright © 2016 Elsevier Ltd. All rights reserved.
International Nuclear Information System (INIS)
Miller, Ronald E.; Shilkrot, L.E.; Curtin, William A.
2004-01-01
The phenomenon of 2D nanoindentation of circular 'Brinell' indenter into a single crystal metal thin film bonded to a rigid substrate is investigated. The simulation method is the coupled atomistics and discrete dislocation (CADD) model recently developed by the authors. The CADD model couples a continuum region containing any number of discrete dislocations to an atomistic region, and permits accurate, automatic detection and passing of dislocations between the atomistic and continuum regions. The CADD model allows for a detailed study of nanoindentation to large penetration depths (up to 60 A here) using only a small region of atoms just underneath the indenter where dislocation nucleation, cross-slip, and annihilation occur. Indentation of a model hexagonal aluminum crystal shows: (i) the onset of homogeneous dislocation nucleation at points away from the points of maximum resolved shear stress; (ii) size-dependence of the material hardness, (iii) the role of dislocation dissociation on deformation; (iv) reverse plasticity, including nucleation of dislocations on unloading and annihilation; (v) permanent deformation, including surface uplift, after full unloading; (vi) the effects of film thickness on the load-displacement response; and (vii) the differences between displacement and force controlled loading. This application demonstrates the power of the CADD method in capturing both long-range dislocation plasticity and short-range atomistic phenomena. The use of CADD permits for a clear study of the physical and mechanical influence of both complex plastic flow and non-continuum atomistic-level processes on the macroscopic response of material under indentation loading
Carlesi, Edoardo; Knebe, Alexander; Lewis, Geraint F.; Wales, Scott; Yepes, Gustavo
2014-04-01
We present the results of a series of adiabatic hydrodynamical simulations of several quintessence models (both with a free and an interacting scalar field) in comparison to a standard Λ cold dark matter cosmology. For each we use 2 × 10243 particles in a 250 h-1 Mpc periodic box assuming 7-year Wilkinson Microwave Anisotropy Probe cosmology. In this work we focus on the properties of haloes in the cosmic web at z = 0. The web is classified into voids, sheets, filaments and knots depending on the eigenvalues of the velocity shear tensor, which are an excellent proxy for the underlying overdensity distribution. We find that the properties of objects classified according to their surrounding environment show a substantial dependence on the underlying cosmology; for example, while Vmax shows average deviations of ≈5 per cent across the different models when considering the full halo sample, comparing objects classified according to their environment, the size of the deviation can be as large as 20 per cent. We also find that halo spin parameters are positively correlated to the coupling, whereas halo concentrations show the opposite behaviour. Furthermore, when studying the concentration-mass relation in different environments, we find that in all cosmologies underdense regions have a larger normalization and a shallower slope. While this behaviour is found to characterize all the models, differences in the best-fitting relations are enhanced in (coupled) dark energy models, thus providing a clearer prediction for this class of models.
Hydrodynamical simulations of coupled and uncoupled quintessence models - II. Galaxy clusters
Carlesi, Edoardo; Knebe, Alexander; Lewis, Geraint F.; Yepes, Gustavo
2014-04-01
We study the z = 0 properties of clusters (and large groups) of galaxies within the context of interacting and non-interacting quintessence cosmological models, using a series of adiabatic SPH simulations. Initially, we examine the average properties of groups and clusters, quantifying their differences in ΛCold Dark Matter (ΛCDM), uncoupled Dark Energy (uDE) and coupled Dark Energy (cDE) cosmologies. In particular, we focus upon radial profiles of the gas density, temperature and pressure, and we also investigate how the standard hydrodynamic equilibrium hypothesis holds in quintessence cosmologies. While we are able to confirm previous results about the distribution of baryons, we also find that the main discrepancy (with differences up to 20 per cent) can be seen in cluster pressure profiles. We then switch attention to individual structures, mapping each halo in quintessence cosmology to its ΛCDM counterpart. We are able to identify a series of small correlations between the coupling in the dark sector and halo spin, triaxiality and virialization ratio. When looking at spin and virialization of dark matter haloes, we find a weak (5 per cent) but systematic deviation in fifth force scenarios from ΛCDM.
Design and Simulation of a Compact UWB MIMO Antenna with Mutual Coupling Reduction
Directory of Open Access Journals (Sweden)
Narges Malekpoor
2016-01-01
Full Text Available In this paper, A compact multiple-input-multiple-output (MIMO antenna with a small size of 26×31mm2 is proposed for portable ultrawideband (UWB applications. The antenna consists of two square-monopole antenna with microstrip-fed by a 50- Ω printed on one side of the substrate. To enhance isolation and increase impedance bandwidth, two long ground stubs are added to the ground plane on the other side. Simulation is used to study the antenna performance in terms of reflection coefficients at the two input ports, coupling between the two input ports, radiation pattern, realized peak gain, efficiency and envelope correlation coefficient. Results show that the MIMO antenna has an impedance bandwidth ( for S22< -10 dB of larger than 3.1–10.6 GHz, low mutual coupling ( for S21< 3 dB of less than -16 dB, and a low envelope correlation coefficient of less than 0.003 across the frequency band, making it a good candidate for portable UWB applications.
Simulation of Iodine Behavior by Coupling of a Standalone Model with MELCOR
Energy Technology Data Exchange (ETDEWEB)
Kim, Han Chul; Cho, Song Won [Korea Institute of Nuclear Safety, Daejeon (Korea, Republic of)
2012-05-15
During a severe accident, a large fraction of iodine in the core can be released into the containment. Iodine is important in terms of its high activity in the early phase after a core-melt accident due to its short half-life isotopes and its serious effect on the public health, especially on the thyroid. Therefore, iodine behavior has been extensively studied through the international research programs. Major research areas are iodine chemistry, surface reactions, mass transfer, modeling of iodine chemistry and its applications to severe accident assessment, and accident management. Advanced tools for modeling these phenomena have been developed and validated by several experiments such as ISTP-EPICUR (International Source Term Program - Experimental Program on Iodine Chemistry under Radiation) and PARIS, and OECD-BIP (Behavior of Iodine Project) in which Korea Institute of Nuclear Safety (KINS) has been participating. As a result, a simple iodine model, RAIM (Radio-Active Iodine chemistry Model) was developed, based on the IMOD methodology in order to deal with organic iodides conveniently. RAIM has been also coupled with MELCOR, replacing the pool chemistry model (PCM). This coupling model, MELCOR-RAIM, will be used for an integrated severe accident assessment that takes into account the organic iodine behavior. This model is described herein, and representative simulation results of the model are presented
Trieschmann, Jan; Krueger, Dennis; Schmidt, Frederik; Brinkmann, Ralf Peter; Mussenbrock, Thomas
2016-09-01
Magnetron sputtering typically operated at low pressures below 1 Pa is a widely applied deposition technique. For both, high power impulse magnetron sputtering (HiPIMS) as well as direct current magnetron sputtering (dcMS) the phenomenon of rotating ionization zones (also referred to as spokes) has been observed. A distinct spatial profile of the electric potential has been associated with the latter, giving rise to low, mid, and high energy groups of ions observed at the substrate. The adherent question of which mechanism drives this process is still not fully understood. This query is approached using Monte Carlo simulations of the heavy particle (i.e., ions and neutrals) transport consistently coupled to a pre-specified electron density profile via the intrinsic electric field. The coupling between the plasma generation and the electric potential, which establishes correspondingly, is investigated. While the system is observed to strive towards quasi-neutrality, distinct mechanisms governing the shape of the electric potential profile are identified. This work is supported by the German Research Foundation (DFG) in the frame of the transregional collaborative research centre TRR 87.
Energy Technology Data Exchange (ETDEWEB)
Tian, Wei [Univ. of Miami, FL (United States). Dept. of Civil, Architectural and Environmental Engineering; Sevilla, Thomas Alonso [Univ. of Miami, FL (United States). Dept. of Civil, Architectural and Environmental Engineering; Zuo, Wangda [Univ. of Miami, FL (United States). Dept. of Civil, Architectural and Environmental Engineering; Sohn, Michael D. [Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). Energy Analysis and Environmental Impacts Div.
2017-06-08
Historically, multizone models are widely used in building airflow and energy performance simulations due to their fast computing speed. However, multizone models assume that the air in a room is well mixed, consequently limiting their application. In specific rooms where this assumption fails, the use of computational fluid dynamics (CFD) models may be an alternative option. Previous research has mainly focused on coupling CFD models and multizone models to study airflow in large spaces. While significant, most of these analyses did not consider the coupled simulation of the building airflow with the building's Heating, Ventilation, and Air-Conditioning (HVAC) systems. This paper tries to fill the gap by integrating the models for HVAC systems with coupled multizone and CFD simulations for airflows, using the Modelica simul ation platform. To improve the computational efficiency, we incorporated a simplified CFD model named fast fluid dynamics (FFD). We first introduce the data synchronization strategy and implementation in Modelica. Then, we verify the implementation using two case studies involving an isothermal and a non-isothermal flow by comparing model simulations to experiment data. Afterward, we study another three cases that are deemed more realistic. This is done by attaching a variable air volume (VAV) terminal box and a VAV system to previous flows to assess the capability of the models in studying the dynamic control of HVAC systems. Finally, we discuss further research needs on the coupled simulation using the models.
Coupled-Flow Simulation of HP-LP Turbines Has Resulted in Significant Fuel Savings
Veres, Joseph P.
2001-01-01
Our objective was to create a high-fidelity Navier-Stokes computer simulation of the flow through the turbines of a modern high-bypass-ratio turbofan engine. The simulation would have to capture the aerodynamic interactions between closely coupled high- and low-pressure turbines. A computer simulation of the flow in the GE90 turbofan engine's high-pressure (HP) and low-pressure (LP) turbines was created at GE Aircraft Engines under contract with the NASA Glenn Research Center. The three-dimensional steady-state computer simulation was performed using Glenn's average-passage approach named APNASA. The areas upstream and downstream of each blade row mutually interact with each other during engine operation. The embedded blade row operating conditions are modeled since the average passage equations in APNASA actively include the effects of the adjacent blade rows. The turbine airfoils, platforms, and casing are actively cooled by compressor bleed air. Hot gas leaks around the tips of rotors through labyrinth seals. The flow exiting the high work HP turbines is partially transonic and, therefore, has a strong shock system in the transition region. The simulation was done using 121 processors of a Silicon Graphics Origin 2000 (NAS 02K) cluster at the NASA Ames Research Center, with a parallel efficiency of 87 percent in 15 hr. The typical average-passage analysis mesh size per blade row was 280 by 45 by 55, or approx.700,000 grid points. The total number of blade rows was 18 for a combined HP and LP turbine system including the struts in the transition duct and exit guide vane, which contain 12.6 million grid points. Design cycle turnaround time requirements ran typically from 24 to 48 hr of wall clock time. The number of iterations for convergence was 10,000 at 8.03x10(exp -5) sec/iteration/grid point (NAS O2K). Parallel processing by up to 40 processors is required to meet the design cycle time constraints. This is the first-ever flow simulation of an HP and LP
Trottier, H. D.; Shakespeare, N. H.; Lepage, G. P.; MacKenzie, P. B.
2002-05-01
Perturbative coefficients for Wilson loops and the static-quark self-energy are extracted from Monte Carlo simulations at weak coupling. The lattice volumes and couplings are chosen to ensure that the lattice momenta are all perturbative. Twisted boundary conditions are used to eliminate the effects of lattice zero modes and to suppress nonperturbative finite-volume effects due to Z(3) phases. Simulations of the Wilson gluon action are done with both periodic and twisted boundary conditions, and over a wide range of lattice volumes (from 34 to 164) and couplings (from β~9 to β~60). A high precision comparison is made between the simulation data and results from finite-volume lattice perturbation theory. The Monte Carlo results are shown to be in excellent agreement with perturbation theory through second order. New results for third-order coefficients for a number of Wilson loops and the static-quark self-energy are reported.
2016-06-12
Particle Size in Discrete Element Method to Particle Gas Method (DEM_PGM) Coupling in Underbody Blast Simulations Venkatesh Babu, Kumar Kulkarni, Sanjay...buried in soil viz., (1) coupled discrete element & particle gas methods (DEM-PGM) and (2) Arbitrary Lagrangian-Eulerian (ALE), are investigated. The...DEM_PGM and identify the limitations/strengths compared to the ALE method. Discrete Element Method (DEM) can model individual particle directly, and
International Nuclear Information System (INIS)
Kyu Cho, Hyoung; Cho, Yun Je; Yoon, Han Young
2014-01-01
Graphical abstract: - Highlights: • PAFS is designed to replace a conventional active auxiliary feedwater system. • Multi-D T/H analysis code, CUPID was coupled with the 1-D system analysis code MARS. • The coupled CUPID and MARS was applied for the multi-scale analysis of the PAFS test facility. • The simulation result showed that the coupled code can reproduce important phenomena in PAFS. - Abstract: For the analysis of transient two-phase flows in nuclear reactor components, a three-dimensional thermal hydraulics code, named CUPID, has been developed. In the present study, the CUPID code was coupled with a system analysis code MARS in order to apply it for the multi-scale thermal-hydraulic analysis of the passive auxiliary feedwater system (PAFS). The PAFS is one of the advanced safety features adopted in the Advanced Power Reactor Plus (APR+), which is intended to completely replace the conventional active auxiliary feedwater system. For verification of the coupling and validation of the coupled code, the PASCAL test facility was simulated, which was constructed with an aim of validating the cooling and operational performance of the PAFS. The two-phase flow phenomena of the steam supply system including the condensation inside the heat exchanger tube were calculated by MARS while the natural circulation and the boil-off in the large water pool that contains the heat exchanger tube were simulated by CUPID. This paper presents the description of the PASCAL facility, the coupling method and the simulation results using the coupled code
Pitting corrosion as a mixed system: coupled deterministic-probabilistic simulation of pit growth
Ibrahim, Israr B. M.; Fonna, S.; Pidaparti, R.
2018-05-01
Stochastic behavior of pitting corrosion poses a unique challenge in its computational analysis. However, it also stems from electrochemical activity causing general corrosion. In this paper, a framework for corrosion pit growth simulation based on the coupling of the Cellular Automaton (CA) and Boundary Element Methods (BEM) is presented. The framework assumes that pitting corrosion is controlled by electrochemical activity inside the pit cavity. The BEM provides the prediction of electrochemical activity given the geometrical data and polarization curves, while the CA is used to simulate the evolution of pit shapes based on electrochemical activity provided by BEM. To demonstrate the methodology, a sample case of local corrosion cells formed in pitting corrosion with varied dimensions and polarization functions is considered. Results show certain shapes tend to grow in certain types of environments. Some pit shapes appear to pose a higher risk by being potentially significant stress raisers or potentially increasing the rate of corrosion under the surface. Furthermore, these pits are comparable to commonly observed pit shapes in general corrosion environments.
Microwave-assisted shingled magnetic recording simulations on an exchange-coupled composite medium
Energy Technology Data Exchange (ETDEWEB)
Tanaka, T., E-mail: t-tanaka@ed.kyushu-u.ac.jp [Department of Electronics, Graduate School of Information Science and Electrical Engineering, Kyushu University, Motoota 744, Nishi-ku, Fukuoka 819-0395 (Japan); Kashiwagi, S. [Department of Electronics, Graduate School of Information Science and Electrical Engineering, Kyushu University, Motoota 744, Nishi-ku, Fukuoka 819-0395 (Japan); Kanai, Y. [Department of Information and Electronics Engineering, Niigata Institute of Technology, Fujihashi 1719, Kashiwazaki, Niigata 945-1195 (Japan); Matsuyama, K. [Department of Electronics, Graduate School of Information Science and Electrical Engineering, Kyushu University, Motoota 744, Nishi-ku, Fukuoka 819-0395 (Japan)
2016-10-15
The potential of microwave-assisted magnetic recording combined with the shingled recording scheme has been studied by simulating read/write processes on exchange-coupled composite media focusing on recording characteristics in the cross-track direction. Microwave fields enhance writability, especially at the track edge, resulting in lower noise and higher signal-to-noise ratio (SNR), which enables higher track density in the shingled recording scheme. Read/write simulations of microwave-assisted shingled recording achieve 1.4 Mtracks/in. while retaining high SNR. Further increases in SNR and track density will require either a narrower reader or track edge noise reduction. - Highlights: • Signal recording of shingled magnetic recording using an asymmetric single pole type head combined with a microwave assistance was numerically demonstrated. • Writability is improved by microwave fields with a moderate frequency at the track edge of the shielded side, resulting in higher signal-to-noise ratio. • 1.41 Mtpi of track density is feasible for the recording scheme of shingled magnetic recording with microwave assistance.
Optimization of parameters in the simulation of the interdiffusion layer growth in Al-U couples
International Nuclear Information System (INIS)
Kniznik, Laura; Alonso, Paula R.; Gargano, Pablo H.; Rubiolo, Gerardo H.
2009-01-01
U-Mo alloy dispersed in aluminum is considered as a high U density fuel for research reactors. In and out of pile experiments showed a reaction layer in U-Mo/Al interphase with formation of intermetallics compounds: Al 2 U, Al 3 U and Al 4 U. Under irradiation, porosities originate an unacceptable swelling of the fuel plate. The kinetics of growth of the intermetallic compounds in the U-Mo/Al interphase is treated in the Al 3 U/Al couple as a planar moving boundary problem due to diffusion of Al and U atoms in the direction perpendicular to the interphase surface. Using data from literature, we built a thermodynamic database to be read by the Thermocalc code to calculate phase equilibria. The diffusion problem was carried out by the DICTRA simulation package which articulates data evaluated by Thermocalc with a mobility database. In a previous work we built preliminary databases, for both free energy and mobilities. In the present work, we adjust the parameters from experimental thermodynamic equilibria and concentration profiles existing in literature, and we simulate satisfactorily the growth of the Al 4 U phase. (author)
International Nuclear Information System (INIS)
Eremin, Denis; Hemke, Torben; Brinkmann, Ralf Peter; Mussenbrock, Thomas
2013-01-01
The Darwin approximation is investigated for its possible use in simulation of electromagnetic effects in large size, high-frequency capacitively coupled discharges. The approximation is utilized within the framework of two different fluid models which are applied to typical cases showing pronounced standing wave and skin effects. With the first model it is demonstrated that the Darwin approximation is valid for treatment of such effects in the range of parameters under consideration. The second approach, a reduced nonlinear Darwin approximation-based model, shows that the electromagnetic phenomena persist in a more realistic setting. The Darwin approximation offers a simple and efficient way of carrying out electromagnetic simulations as it removes the Courant condition plaguing explicit electromagnetic algorithms and can be implemented as a straightforward modification of electrostatic algorithms. The algorithm described here avoids iterative schemes needed for the divergence cleaning and represents a fast and efficient solver, which can be used in fluid and kinetic models for self-consistent description of technical plasmas exhibiting certain electromagnetic activity. (paper)
Coupled Simulation of Thermomagnetic Energy Generation Based on NiMnGa Heusler Alloy Films
Kohl, Manfred; Gueltig, Marcel; Wendler, Frank
2018-03-01
This paper presents a simulation model for the coupled dynamic properties of thermomagnetic generators based on magnetic shape memory alloy (MSMA) films. MSMA thermomagnetic generators exploit the large abrupt temperature-induced change of magnetization at the first- or second-order magnetic transition as well as the short heat transfer times due to the large surface-to-volume ratio of films. These properties allow for resonant self-actuation of freely movable MSMA cantilever devices showing thermomagnetic duty cycles in the order of 10 ms duration, which matches with the period of oscillatory motion. We present a numerical analysis of the energy conversion processes to understand the effect of design parameters on efficiency and power output. A lumped element model is chosen to describe the time dependence of MSMA cantilever deflection and of temperature profiles as well as the magnitude and phase dependency of magnetization change. The simulation model quantitatively describes experimentally observed oscillatory motion and resulting power output in the order of 100 mW cm-3. Furthermore, it predicts a power output of 490 mW cm-3 for advanced film materials with temperature-dependent change of magnetization Δ M/Δ T of 4 A m2 (kg K)-1, which challenges state-of-the-art thermoelectric devices.
Modernization of the NESTLE-CANDU reactor simulator and coupling to scale-processed cross sections
International Nuclear Information System (INIS)
Hart, S.; Maldonado, G.I.
2012-01-01
The original version of the NESTLE computer code for CANDU applications, herein referred as the NESTLE-CANDU or NESTLE-C program, was developed under sponsorship by the CNSC as a “stand-alone” program. In fact, NESTLE-C emerged from the original version of NESTLE, applicable to light water reactors, which was written in FORTRAN 77 to solve the few-group neutron diffusion equation utilizing the Nodal Expansion Method (NEM). Accordingly, NESTLE-C can solve the eigenvalue (criticality); eigenvalue adjoint; external fixed-source or eigenvalue initiated transient problems for CANDU reactor fuel arrangements and geometries. This article reports a recent conversion of the NESTLE-C code to the Fortran 90 standard, in addition, we highlight other code updates carried out to modularize and modernize NESTLE-C in a manner consistent with the latest updates performed with the parent NESTLE code for light water reactor (LWR) applications. Also reported herein, is a simulation of a CANDU reactor employing 37-element fuel bundles, which was carried out to highlight the SCALE to NESTLE-C coupling developed for two-group collapsed and bundle homogenized cross-section generation. The results presented are consistent with corresponding simulations that employed HELIOS generated cross-sections. (author)
Modernization of the NESTLE-CANDU reactor simulator and coupling to scale-processed cross sections
Energy Technology Data Exchange (ETDEWEB)
Hart, S.; Maldonado, G.I. [Univ. of Tennessee, Knoxville, Tennessee (United States)
2012-07-01
The original version of the NESTLE computer code for CANDU applications, herein referred as the NESTLE-CANDU or NESTLE-C program, was developed under sponsorship by the CNSC as a “stand-alone” program. In fact, NESTLE-C emerged from the original version of NESTLE, applicable to light water reactors, which was written in FORTRAN 77 to solve the few-group neutron diffusion equation utilizing the Nodal Expansion Method (NEM). Accordingly, NESTLE-C can solve the eigenvalue (criticality); eigenvalue adjoint; external fixed-source or eigenvalue initiated transient problems for CANDU reactor fuel arrangements and geometries. This article reports a recent conversion of the NESTLE-C code to the Fortran 90 standard, in addition, we highlight other code updates carried out to modularize and modernize NESTLE-C in a manner consistent with the latest updates performed with the parent NESTLE code for light water reactor (LWR) applications. Also reported herein, is a simulation of a CANDU reactor employing 37-element fuel bundles, which was carried out to highlight the SCALE to NESTLE-C coupling developed for two-group collapsed and bundle homogenized cross-section generation. The results presented are consistent with corresponding simulations that employed HELIOS generated cross-sections. (author)
Two-way coupled simulation of a flow laden with metallic particulates in overexpanded TIC nozzle
International Nuclear Information System (INIS)
Moshfegh, Abouzar; Shams, Mehrzad; Ebrahimi, Reza; Farnia, Mohammad Ali
2009-01-01
A simulation of non-reacting dilute gas-solid flow in a truncated ideal contour nozzle with consideration of external stream interactions is performed. The Eulerian-Lagrangian approach involving a two-way momentum and thermal coupling between gas and particles phases is also adopted. Of interests are to investigate the effects of particles diameter and mass flow fraction on the flow pattern, Mach number, pressure and temperature contours and their distributions along the nozzle centerline and wall. The main goal is to determine the separation point quantitatively when the particles characteristics change. Particles sample trajectories are illustrated throughout the flow field and a qualitative discussion on the way that physical properties of the nozzle exit flow and particles trajectories oscillate is prepared. The existence of solid particulates delays the separation prominently in the cases studied. The bigger particles and the higher particles mass flow fractions respectively advance and delay the separation occurrence. The particles trajectories oscillate when they expose to the crisscrossing (or diamond-shape) shock waves generated outside the nozzle to approach the exit jet conditions to the ambient. The simulation code is validated and verified, respectively, against a one-phase 2D convergent-divergent nozzle flow and a two-phase Jet Propulsion Laboratory nozzle flow, and acceptable agreements are achieved.
Microwave-assisted shingled magnetic recording simulations on an exchange-coupled composite medium
International Nuclear Information System (INIS)
Tanaka, T.; Kashiwagi, S.; Kanai, Y.; Matsuyama, K.
2016-01-01
The potential of microwave-assisted magnetic recording combined with the shingled recording scheme has been studied by simulating read/write processes on exchange-coupled composite media focusing on recording characteristics in the cross-track direction. Microwave fields enhance writability, especially at the track edge, resulting in lower noise and higher signal-to-noise ratio (SNR), which enables higher track density in the shingled recording scheme. Read/write simulations of microwave-assisted shingled recording achieve 1.4 Mtracks/in. while retaining high SNR. Further increases in SNR and track density will require either a narrower reader or track edge noise reduction. - Highlights: • Signal recording of shingled magnetic recording using an asymmetric single pole type head combined with a microwave assistance was numerically demonstrated. • Writability is improved by microwave fields with a moderate frequency at the track edge of the shielded side, resulting in higher signal-to-noise ratio. • 1.41 Mtpi of track density is feasible for the recording scheme of shingled magnetic recording with microwave assistance.
International Nuclear Information System (INIS)
Makowitz, H.; Barber, D.G.; Dean, E.M.
1989-01-01
A ''Tightly Coupled'' transient analysis system for the Experimental Breeder Reactor-II (FBR-II) is presently under development. The system consists of a faster-than-real-time high fidelity reactor simulation, advanced graphics displays, expert system coupling, and real-time data coupling via the EBR-II data acquisition system to and from the plant and the control system. The first generation software has been developed and tested. Various subsystem couplings and the total system integration have been checked out. A ''Lightly Coupled'' EBR-II reactor startup was conducted in August of 1988 as a demonstration of the system. This system should enhance the diagnostic and prognostic capability of EBR-II in the near term and provide automatic control during startup and power maneuvering in the future, as well as serve as a testbed for new control system development for advanced reactors. 8 refs., 7 figs., 1 tab
Source characterization of underground explosions from hydrodynamic-to-elastic coupling simulations
Chiang, A.; Pitarka, A.; Ford, S. R.; Ezzedine, S. M.; Vorobiev, O.
2017-12-01
A major improvement in ground motion simulation capabilities for underground explosion monitoring during the first phase of the Source Physics Experiment (SPE) is the development of a wave propagation solver that can propagate explosion generated non-linear near field ground motions to the far-field. The calculation is done using a hybrid modeling approach with a one-way hydrodynamic-to-elastic coupling in three dimensions where near-field motions are computed using GEODYN-L, a Lagrangian hydrodynamics code, and then passed to WPP, an elastic finite-difference code for seismic waveform modeling. The advancement in ground motion simulation capabilities gives us the opportunity to assess moment tensor inversion of a realistic volumetric source with near-field effects in a controlled setting, where we can evaluate the recovered source properties as a function of modeling parameters (i.e. velocity model) and can provide insights into previous source studies on SPE Phase I chemical shots and other historical nuclear explosions. For example the moment tensor inversion of far-field SPE seismic data demonstrated while vertical motions are well-modeled using existing velocity models large misfits still persist in predicting tangential shear wave motions from explosions. One possible explanation we can explore is errors and uncertainties from the underlying Earth model. Here we investigate the recovered moment tensor solution, particularly on the non-volumetric component, by inverting far-field ground motions simulated from physics-based explosion source models in fractured material, where the physics-based source models are based on the modeling of SPE-4P, SPE-5 and SPE-6 near-field data. The hybrid modeling approach provides new prospects in modeling explosion source and understanding the uncertainties associated with it.
Simulating Coupling Complexity in Space Plasmas: First Results from a new code
Kryukov, I.; Zank, G. P.; Pogorelov, N. V.; Raeder, J.; Ciardo, G.; Florinski, V. A.; Heerikhuisen, J.; Li, G.; Petrini, F.; Shematovich, V. I.; Winske, D.; Shaikh, D.; Webb, G. M.; Yee, H. M.
2005-12-01
The development of codes that embrace 'coupling complexity' via the self-consistent incorporation of multiple physical scales and multiple physical processes in models has been identified by the NRC Decadal Survey in Solar and Space Physics as a crucial necessary development in simulation/modeling technology for the coming decade. The National Science Foundation, through its Information Technology Research (ITR) Program, is supporting our efforts to develop a new class of computational code for plasmas and neutral gases that integrates multiple scales and multiple physical processes and descriptions. We are developing a highly modular, parallelized, scalable code that incorporates multiple scales by synthesizing 3 simulation technologies: 1) Computational fluid dynamics (hydrodynamics or magneto-hydrodynamics-MHD) for the large-scale plasma; 2) direct Monte Carlo simulation of atoms/neutral gas, and 3) transport code solvers to model highly energetic particle distributions. We are constructing the code so that a fourth simulation technology, hybrid simulations for microscale structures and particle distributions, can be incorporated in future work, but for the present, this aspect will be addressed at a test-particle level. This synthesis we will provide a computational tool that will advance our understanding of the physics of neutral and charged gases enormously. Besides making major advances in basic plasma physics and neutral gas problems, this project will address 3 Grand Challenge space physics problems that reflect our research interests: 1) To develop a temporal global heliospheric model which includes the interaction of solar and interstellar plasma with neutral populations (hydrogen, helium, etc., and dust), test-particle kinetic pickup ion acceleration at the termination shock, anomalous cosmic ray production, interaction with galactic cosmic rays, while incorporating the time variability of the solar wind and the solar cycle. 2) To develop a coronal
Kwac, Kijeong; Geva, Eitan
2012-03-08
We present a mixed quantum-classical molecular dynamics study of the hydrogen-bonding structure and dynamics of a vibrationally excited hydroxyl stretch in methanol/carbon-tetrachloride mixtures. The adiabatic Hamiltonian of the quantum-mechanical hydroxyl is diagonalized on-the-fly to obtain the ground and first-excited adiabatic energy levels and wave functions which depend parametrically on the instantaneous configuration of the classical degrees of freedom. The dynamics of the classical degrees of freedom are determined by Hellmann-Feynman forces obtained by taking the expectation value of the force with respect to the ground or excited vibrational wave functions. Polarizable force fields are used which were previously shown to reproduce the experimental infrared absorption spectrum rather well, for different isotopomers and over a wide composition range [Kwac, K.; Geva, E. J. Phys. Chem. B 2011, 115, 9184]. We show that the agreement of the absorption spectra with experiment can be further improved by accounting for the dependence of the dipole moment derivatives on the configuration of the classical degrees of freedom. We find that the propensity of a methanol molecule to form hydrogen bonds increases upon photoexcitation of its hydroxyl stretch, thereby leading to a sizable red-shift of the corresponding emission spectrum relative to the absorption spectrum. Treating the relaxation from the first excited to the ground state as a nonadiabatic process, and calculating its rate within the framework of Fermi's golden rule and the harmonic-Schofield quantum correction factor, we were able to predict a lifetime which is of the same order of magnitude as the experimental value. The experimental dependence of the lifetime on the transition frequency is also reproduced. Nonlinear mapping relations between the hydroxyl transition frequency and bond length in the excited state and the electric field along the hydroxyl bond axis are established. These mapping relations
International Nuclear Information System (INIS)
Gupta, N.K.
1981-01-01
A new coupling kernel is developed for the three-dimensional (3-D) simulation of Boiling Water Reactors (BWR's) by the nodal coupling method. The new kernel depends not only on the properties of the node under consideration but also on the properties of its neighbouring nodes. This makes the kernel more useful in particular for fuel bundles lying in a surrounding of different nuclear characteristics, e.g. for a controlled bundle in the surrounding of uncontrolled bundles or vice-versa. The main parameter in the new kernel is a space-dependent factor obtained from the ratio of thermal-to-fast flux. The average value of the above ratio for each node is evaluated analytically. The kernel is incorporated in a 3-D BWR core simulation program MOGS. As an experimental verification of the model, the cycle-6 operations of the two units of the Tarapur Atomic Power Station (TAPS) are simulated and the result of the simulation are compared with Travelling Incore Probe (TIP) data. (orig.)
Energy Technology Data Exchange (ETDEWEB)
Gleicher, Frederick; Ortensi, Javier; DeHart, Mark; Wang, Yaqi; Schunert, Sebastian; Novascone, Stephen; Hales, Jason; Williamson, Rich; Slaughter, Andrew; Permann, Cody; Andrs, David; Martineau, Richard
2016-09-01
Accurate calculation of desired quantities to predict fuel behavior requires the solution of interlinked equations representing different physics. Traditional fuels performance codes often rely on internal empirical models for the pin power density and a simplified boundary condition on the cladding edge. These simplifications are performed because of the difficulty of coupling applications or codes on differing domains and mapping the required data. To demonstrate an approach closer to first principles, the neutronics application Rattlesnake and the thermal hydraulics application RELAP-7 were coupled to the fuels performance application BISON under the master application MAMMOTH. A single fuel pin was modeled based on the dimensions of a Westinghouse 17x17 fuel rod. The simulation consisted of a depletion period of 1343 days, roughly equal to three full operating cycles, followed by a station blackout (SBO) event. The fuel rod was depleted for 1343 days for a near constant total power loading of 65.81 kW. After 1343 days the fission power was reduced to zero (simulating a reactor shut-down). Decay heat calculations provided the time-varying energy source after this time. For this problem, Rattlesnake, BISON, and RELAP-7 are coupled under MAMMOTH in a split operator approach. Each system solves its physics on a separate mesh and, for RELAP-7 and BISON, on only a subset of the full problem domain. Rattlesnake solves the neutronics over the whole domain that includes the fuel, cladding, gaps, water, and top and bottom rod holders. Here BISON is applied to the fuel and cladding with a 2D axi-symmetric domain, and RELAP-7 is applied to the flow of the circular outer water channel with a set of 1D flow equations. The mesh on the Rattlesnake side can either be 3D (for low order transport) or 2D (for diffusion). BISON has a matching ring structure mesh for the fuel so both the power density and local burn up are copied accurately from Rattlesnake. At each depletion time
Energy Technology Data Exchange (ETDEWEB)
Martineau, R.C., E-mail: Richard.Martineau@inl.gov [Idaho National Laboratory, Idaho Falls, ID (United States)
2015-07-01
'Full text:' RELAP-7 is expected to be the next in the RELAP nuclear reactor safety/systems analysis application series developed at the Idaho National Laboratory (INL). The development of RELAP-7 began in 2011 to support the Risk Informed Safety Margins Characterization (RISMC) Pathway of Department of Energy's (DOE) Light Water Reactor Sustainability (LWRS) Program. The overall design goal of RELAP-7 is to take advantage of the previous thirty years of advancements in software design, numerical methods, and physical models in order to provide capabilities needed for the RISMC methodology and to support modern nuclear power safety analysis. RELAP-7 is built using the INL's modern scientific software development framework, MOOSE (Multi-physics Object Oriented Simulation Environment). MOOSE provides improved implicit numerical schemes, including higher-order integration in both space and time, and yielding converged second-order accuracy for RELAP-7. The code structure is based on multiple physical component models such as pipes, junctions, pumps, etc. This component-based software architecture allows RELAP-7 to quickly adopt different physical models for different applications. One of the main advantages of building RELAP-7 on the MOOSE framework is that tight coupling with other MOOSE-based applications solving physics not present in RELAP-7 requires little to no additional lines of code. For example, the RELAP-7 core channel component is based upon a one-dimensional flow channel and a three-zone two-dimensional heat structure designed to represent fuel, gap, and cladding conjugate heat transfer with the coolant. However, the RELAP-7 application does not carry the fuels performance physics to analyze irradiated fuel, especially for accident scenarios. Here, we demonstrate the tightly coupled capability of the BISON nuclear fuels performance application with RELAP-7 for the station black out (SBO) accident scenario (Fukushima type event) and
Liu, Qianqian; Chai, Fei; Dugdale, Richard; Chao, Yi; Xue, Huijie; Rao, Shivanesh; Wilkerson, Frances; Farrara, John; Zhang, Hongchun; Wang, Zhengui; Zhang, Yinglong
2018-06-01
An open source coupled physical-biogeochemical model is developed for San Francisco Bay (SFB) to study nutrient cycling and plankton dynamics as well as to assist ecosystem based management and risk assessment. The biogeochemical model in this study is based on the Carbon, Silicate and Nitrogen Ecosystem (CoSiNE) model, and coupled to the unstructured grid, Semi-Implicit Cross-scale Hydroscience Integrated System Model (SCHISM). The SCHISM-CoSiNE model reproduces the spatial and temporal variability in nutrients and plankton biomass, and its physical and biogeochemical performance is successfully tested using comparisons with shipboard and fixed station observations. The biogeochemical characteristics of the SFB during wet and dry years are investigated by changing the input of the major rivers. River discharges from the Sacramento and San Joaquin Rivers affect the phytoplankton biomass in North SFB through both advection and dilution of nutrient (including ammonium, NH4) concentrations in the river. The reduction in residence time caused by increased inflows can result in decreased biomass accumulation, while the corresponding reduction in NH4 concentration favors the growth of biomass. In addition, the model is used to make a series of sensitivity experiments to examine the response of SFB to changes in 1) nutrient loading from rivers and wastewater treatment plants (WWTPs), 2) a parameter (ψ) defining NH4 inhibition of nitrate (NO3) uptake by phytoplankton, 3) bottom grazing and 4) suspended sediment concentration. The model results show that changes in NH4 input from rivers or WWTPs affect the likelihood of phytoplankton blooms via NH4 inhibition and that the choice of ψ is critical. Bottom grazing simulated here as increased plankton mortality demonstrates the potential for bivalve reduction of chlorophyll biomass and the need to include bivalve grazing in future models. Furthermore, the model demonstrates the need to include sediments and their contribution
Crétat, Julien; Terray, Pascal; Masson, Sébastien; Sooraj, K. P.; Roxy, Mathew Koll
2017-08-01
The relationship between the Indian Ocean and the Indian summer monsoon (ISM) and their respective influence over the Indo-Western North Pacific (WNP) region are examined in the absence of El Niño Southern Oscillation (ENSO) in two partially decoupled global experiments. ENSO is removed by nudging the tropical Pacific simulated sea surface temperature (SST) toward SST climatology from either observations or a fully coupled control run. The control reasonably captures the observed relationships between ENSO, ISM and the Indian Ocean Dipole (IOD). Despite weaker amplitude, IODs do exist in the absence of ENSO and are triggered by a boreal spring ocean-atmosphere coupled mode over the South-East Indian Ocean similar to that found in the presence of ENSO. These pure IODs significantly affect the tropical Indian Ocean throughout boreal summer, inducing a significant modulation of both the local Walker and Hadley cells. This meridional circulation is masked in the presence of ENSO. However, these pure IODs do not significantly influence the Indian subcontinent rainfall despite overestimated SST variability in the eastern equatorial Indian Ocean compared to observations. On the other hand, they promote a late summer cross-equatorial quadrupole rainfall pattern linking the tropical Indian Ocean with the WNP, inducing important zonal shifts of the Walker circulation despite the absence of ENSO. Surprisingly, the interannual ISM rainfall variability is barely modified and the Indian Ocean does not force the monsoon circulation when ENSO is removed. On the contrary, the monsoon circulation significantly forces the Arabian Sea and Bay of Bengal SSTs, while its connection with the western tropical Indian Ocean is clearly driven by ENSO in our numerical framework. Convection and diabatic heating associated with above-normal ISM induce a strong response over the WNP, even in the absence of ENSO, favoring moisture convergence over India.
Mixed time slicing in path integral simulations
International Nuclear Information System (INIS)
Steele, Ryan P.; Zwickl, Jill; Shushkov, Philip; Tully, John C.
2011-01-01
A simple and efficient scheme is presented for using different time slices for different degrees of freedom in path integral calculations. This method bridges the gap between full quantization and the standard mixed quantum-classical (MQC) scheme and, therefore, still provides quantum mechanical effects in the less-quantized variables. Underlying the algorithm is the notion that time slices (beads) may be 'collapsed' in a manner that preserves quantization in the less quantum mechanical degrees of freedom. The method is shown to be analogous to multiple-time step integration techniques in classical molecular dynamics. The algorithm and its associated error are demonstrated on model systems containing coupled high- and low-frequency modes; results indicate that convergence of quantum mechanical observables can be achieved with disparate bead numbers in the different modes. Cost estimates indicate that this procedure, much like the MQC method, is most efficient for only a relatively few quantum mechanical degrees of freedom, such as proton transfer. In this regime, however, the cost of a fully quantum mechanical simulation is determined by the quantization of the least quantum mechanical degrees of freedom.
Multi-Scale Coupling Between Monte Carlo Molecular Simulation and Darcy-Scale Flow in Porous Media
Saad, Ahmed Mohamed
2016-06-01
In this work, an efficient coupling between Monte Carlo (MC) molecular simulation and Darcy-scale flow in porous media is presented. The cell centered finite difference method with non-uniform rectangular mesh were used to discretize the simulation domain and solve the governing equations. To speed up the MC simulations, we implemented a recently developed scheme that quickly generates MC Markov chains out of pre-computed ones, based on the reweighting and reconstruction algorithm. This method astonishingly reduces the required computational times by MC simulations from hours to seconds. To demonstrate the strength of the proposed coupling in terms of computational time efficiency and numerical accuracy in fluid properties, various numerical experiments covering different compressible single-phase flow scenarios were conducted. The novelty in the introduced scheme is in allowing an efficient coupling of the molecular scale and the Darcy\\'s one in reservoir simulators. This leads to an accurate description of thermodynamic behavior of the simulated reservoir fluids; consequently enhancing the confidence in the flow predictions in porous media.
Co-simulation coupling spectral/finite elements for 3D soil/structure interaction problems
Zuchowski, Loïc; Brun, Michael; De Martin, Florent
2018-05-01
The coupling between an implicit finite elements (FE) code and an explicit spectral elements (SE) code has been explored for solving the elastic wave propagation in the case of soil/structure interaction problem. The coupling approach is based on domain decomposition methods in transient dynamics. The spatial coupling at the interface is managed by a standard coupling mortar approach, whereas the time integration is dealt with an hybrid asynchronous time integrator. An external coupling software, handling the interface problem, has been set up in order to couple the FE software Code_Aster with the SE software EFISPEC3D.
International Nuclear Information System (INIS)
Sun, Zhi-xue; Zhang, Xu; Xu, Yi; Yao, Jun; Wang, Hao-xuan; Lv, Shuhuan; Sun, Zhi-lei; Huang, Yong; Cai, Ming-yu; Huang, Xiaoxue
2017-01-01
The Enhanced Geothermal System (EGS) creates an artificial geothermal reservoir by hydraulic fracturing which allows heat transmission through the fractures by the circulating fluids as they extract heat from Hot Dry Rock (HDR). The technique involves complex thermal–hydraulic–mechanical (THM) coupling process. A numerical approach is presented in this paper to simulate and analyze the heat extraction process in EGS. The reservoir is regarded as fractured porous media consisting of rock matrix blocks and discrete fracture networks. Based on thermal non-equilibrium theory, the mathematical model of THM coupling process in fractured rock mass is used. The proposed model is validated by comparing it with several analytical solutions. An EGS case from Cooper Basin, Australia is simulated with 2D stochastically generated fracture model to study the characteristics of fluid flow, heat transfer and mechanical response in geothermal reservoir. The main parameters controlling the outlet temperature of EGS are also studied by sensitivity analysis. The results shows the significance of taking into account the THM coupling effects when investigating the efficiency and performance of EGS. - Highlights: • EGS reservoir comprising discrete fracture networks and matrix rock is modeled. • A THM coupling model is proposed for simulating the heat extraction in EGS. • The numerical model is validated by comparing with several analytical solutions. • A case study is presented for understanding the main characteristics of EGS. • The THM coupling effects are shown to be significant factors to EGS's running performance.
Coupling of Community Land Model with RegCM4 for Indian Summer Monsoon Simulation
Maurya, R. K. S.; Sinha, P.; Mohanty, M. R.; Mohanty, U. C.
2017-11-01
Three land surface schemes available in the regional climate model RegCM4 have been examined to understand the coupling between land and atmosphere for simulation of the Indian summer monsoon rainfall. The RegCM4 is coupled with biosphere-atmosphere transfer scheme (BATS) and the National Center for Atmospheric Research (NCAR) Community Land Model versions 3.5, and 4.5 (CLM3.5 and CLM4.5, respectively) and model performance is evaluated for recent drought (2009) and normal (2011) monsoon years. The CLM4.5 has a more distinct category of surface and it is capable of representing better the land surface characteristics. National Centers for Environmental Prediction (NCEP) and Department of Energy (DOE) reanalysis version 2 (NNRP2) datasets are considered as driving force to conduct the experiments for the Indian monsoon region (30°E-120°E; 30°S-50°N). The NNRP2 and India Meteorological Department (IMD) gridded precipitation data are used for verification analysis. The results indicate that RegCM4 simulations with CLM4.5 (RegCM4-CLM4.5) and CLM3.5 (RegCM4-CLM3.5) surface temperature (at 2 ms) have very low warm biases ( 1 °C), while with BATS (RegCM4-BATS) has a cold bias of about 1-3 °C in peninsular India and some parts of central India. Warm bias in the RegCM4-BATS is observed over the Indo-Gangetic plain and northwest India and the bias is more for the deficit year as compared to the normal year. However, the warm (cold) bias is less in RegCM4-CLM4.5 than other schemes for both the deficit and normal years. The model-simulated maximum (minimum) surface temperature and sensible heat flux at the surface are positively (negatively) biased in all the schemes; however, the bias is higher in RegCM4-BATS and lower in RegCM4-CLM4.5 over India. All the land surface schemes overestimated the precipitation in peninsular India and underestimated in central parts of India for both the years; however, the biases are less in RegCM4-CLM4.5 and more in RegCM4-CLM3.5 and Reg
Directory of Open Access Journals (Sweden)
S. Arnold
2009-10-01
Full Text Available In this paper we develop and apply a conceptual ecohydrological model to investigate the effects of model structure and parameter uncertainty on the simulation of vegetation structure and hydrological dynamics. The model is applied for a typical water limited riparian ecosystem along an ephemeral river: the middle section of the Kuiseb River in Namibia. We modelled this system by coupling an ecological model with a conceptual hydrological model. The hydrological model is storage based with stochastical forcing from the flood. The ecosystem is modelled with a population model, and represents three dominating riparian plant populations. In appreciation of uncertainty about population dynamics, we applied three model versions with increasing complexity. Population parameters were found by Latin hypercube sampling of the parameter space and with the constraint that three species should coexist as observed. Two of the three models were able to reproduce the observed coexistence. However, both models relied on different coexistence mechanisms, and reacted differently to change of long term memory in the flood forcing. The coexistence requirement strongly constrained the parameter space for both successful models. Only very few parameter sets (0.5% of 150 000 samples allowed for coexistence in a representative number of repeated simulations (at least 10 out of 100 and the success of the coexistence mechanism was controlled by the combination of population parameters. The ensemble statistics of average values of hydrologic variables like transpiration and depth to ground water were similar for both models, suggesting that they were mainly controlled by the applied hydrological model. The ensemble statistics of the fluctuations of depth to groundwater and transpiration, however, differed significantly, suggesting that they were controlled by the applied ecological model and coexistence mechanisms. Our study emphasizes that uncertainty about ecosystem
Renssen, H.; Goosse, H.; Fichefet, T.; Brovkin, V.; Driesschaert, E.; Wolk, F.
2005-01-01
The response of the climate at high northern latitudes to slowly changing external forcings was studied in a 9,000-year long simulation with the coupled atmosphere-sea ice-ocean-vegetation model ECBilt-CLIO-VECODE. Only long-term changes in insolation and atmospheric CO
Energy Technology Data Exchange (ETDEWEB)
Burns, Kimberly A. [Georgia Inst. of Technology, Atlanta, GA (United States)
2009-08-01
The accurate and efficient simulation of coupled neutron-photon problems is necessary for several important radiation detection applications. Examples include the detection of nuclear threats concealed in cargo containers and prompt gamma neutron activation analysis for nondestructive determination of elemental composition of unknown samples.
Energy Technology Data Exchange (ETDEWEB)
Veneziani, Carmela [Los Alamos National Lab. (LANL), Los Alamos, NM (United States)
2016-07-25
Two sets of simulations were performed within this allocation: 1) a 12-year fully-coupled experiment in pre-industrial conditions, using the CICE4 version of the sea-ice model; 2) a set of multi-decadal ocean-ice-only experiments, forced with CORE-I atmospheric fields and using the CICE5 version of the sea-ice model.
Li, Dongjie; Fu, Yu; Yang, Liu
2017-08-01
For further research on the microparticles trajectory in the process of micromanipulation, the paper modeled on the coupling dynamic of three-degree-of-freedom micromanipulator which is based on piezoelectric ceramic. In the micromanipulation, the transformation of certain movement direction can generate a corresponding change in the coupling in three-degree-of-freedom micromanipulator movement, the fuzzy PID method was adopted by the control system of this study, and the modeling analysis was performed on the control system. After completing the above modeling, the simulation model is built by the MATLAB Simulink software. The simulation output results are basically in accordance with the actual trajectory, which achieve the successful research purposes of coupling dynamics model for three-degree-of-freedom micromanipulator and application of fuzzy PID method.
Meso- to micro-scale coupled simulations of flow over complex terrain at the Perdigao site
Neher, J.; van Veen, L.; Chow, F. K.; Mirocha, J. D.; Lundquist, J. K.
2017-12-01
In this work, the site of the 2017 Perdigao field campaign is analyzed with high resolution large-eddy simulations generated using the Weather Research and Forecasting (WRF) model as a coupled mesoscale to microscale model. The fine topographic features of the site, with its ridgelines a mere 1.2 km apart, the occurrence of intermittent turbulence at night, and the presence of a wind turbine on one of the ridgelines pose a challenge for many current numerical models. Key test cases in the observational data that demonstrate these modelling difficulties are identified, and advanced modeling techniques for overcoming these issues in the WRF model are presented. These techniques include vertical grid nesting for control of the grid aspect ratio, the cell perturbation method for accelerating the generation of turbulence at the boundary, the dynamic reconstruction model as a closure model that allows for backscatter of turbulence, and the actuator disk model for representing the turbine wake. Multiple nesting configurations are considered, with special consideration given to spanning the `grey zone' where neither PBL nor LES closures are effective. Comparisons between model results and measured sounding, meteorological tower, and Lidar data are used to evaluate the effectiveness of these techniques, and the model results are evaluated to provide a broader view of the flow field and the turbine wake interactions at the site.
International Nuclear Information System (INIS)
Lee, Ho-Jun; Kim, Yun-Gi
2012-01-01
The characteristics of weakly magnetized inductively coupled plasma (MICP) are investigated using a self-consistent simulation based on the drift–diffusion approximation with anisotropic transport coefficients. MICP is a plasma source utilizing the cavity mode of the low-frequency branch of the right-hand circularly polarized wave. The model system is 700 mm in diameter and has a 250 mm gap between the radio-frequency window and wafer holder. The model chamber size is chosen to verify the applicability of this type of plasma source to the 450 mm wafer process. The effects of electron density distribution and external axial magnetic field on the propagation properties of the plasma wave, including the wavelength modulation and refraction toward the high-density region, are demonstrated. The restricted electron transport and thermal conductivity in the radial direction due to the magnetic field result in small temperature gradient along the field lines and off-axis peak density profile. The calculated impedance seen from the antenna terminal shows that MICP has a resistance component that is two to threefold higher than that of ICP. This property is practically important for large-size, low-pressure plasma sources because high resistance corresponds to high power-transfer efficiency and stable impedance matching characteristics. For the 0.665 Pa argon plasma, MICP shows a radial density uniformity of 6% within 450 mm diameter, which is much better than that of nonmagnetized ICP.
Directory of Open Access Journals (Sweden)
S. L. Weber
2007-01-01
Full Text Available This study analyses the response of the Atlantic meridional overturning circulation (AMOC to LGM forcings and boundary conditions in nine PMIP coupled model simulations, including both GCMs and Earth system Models of Intermediate Complexity. Model results differ widely. The AMOC slows down considerably (by 20–40% during the LGM as compared to the modern climate in four models, there is a slight reduction in one model and four models show a substantial increase in AMOC strength (by 10–40%. It is found that a major controlling factor for the AMOC response is the density contrast between Antarctic Bottom Water (AABW and North Atlantic Deep Water (NADW at their source regions. Changes in the density contrast are determined by the opposing effects of changes in temperature and salinity, with more saline AABW as compared to NADW consistently found in all models and less cooling of AABW in all models but one. In only two models is the AMOC response during the LGM directly related to the response in net evaporation over the Atlantic basin. Most models show large changes in the ocean freshwater transports into the basin, but this does not seem to affect the AMOC response. Finally, there is some dependence on the accuracy of the control state.
Simulating coupled dynamics of a rigid-flexible multibody system and compressible fluid
Hu, Wei; Tian, Qiang; Hu, HaiYan
2018-04-01
As a subsequent work of previous studies of authors, a new parallel computation approach is proposed to simulate the coupled dynamics of a rigid-flexible multibody system and compressible fluid. In this approach, the smoothed particle hydrodynamics (SPH) method is used to model the compressible fluid, the natural coordinate formulation (NCF) and absolute nodal coordinate formulation (ANCF) are used to model the rigid and flexible bodies, respectively. In order to model the compressible fluid properly and efficiently via SPH method, three measures are taken as follows. The first is to use the Riemann solver to cope with the fluid compressibility, the second is to define virtual particles of SPH to model the dynamic interaction between the fluid and the multibody system, and the third is to impose the boundary conditions of periodical inflow and outflow to reduce the number of SPH particles involved in the computation process. Afterwards, a parallel computation strategy is proposed based on the graphics processing unit (GPU) to detect the neighboring SPH particles and to solve the dynamic equations of SPH particles in order to improve the computation efficiency. Meanwhile, the generalized-alpha algorithm is used to solve the dynamic equations of the multibody system. Finally, four case studies are given to validate the proposed parallel computation approach.
Ocean response to volcanic eruptions in Coupled Model Intercomparison Project 5 simulations
Ding, Yanni
2014-09-01
We examine the oceanic impact of large tropical volcanic eruptions as they appear in ensembles of historical simulations from eight Coupled Model Intercomparison Project Phase 5 models. These models show a response that includes lowering of global average sea surface temperature by 0.1–0.3 K, comparable to the observations. They show enhancement of Arctic ice cover in the years following major volcanic eruptions, with long-lived temperature anomalies extending to the middepth and deep ocean on decadal to centennial timescales. Regional ocean responses vary, although there is some consistent hemispheric asymmetry associated with the hemisphere in which the eruption occurs. Temperature decreases and salinity increases contribute to an increase in the density of surface water and an enhancement in the overturning circulation of the North Atlantic Ocean following these eruptions. The strength of this overturning increase varies considerably from model to model and is correlated with the background variability of overturning in each model. Any cause/effect relationship between eruptions and the phase of El Niño is weak.
Tavakoli Kivi, S.; Bailey, R. T.; Gates, T. K.
2017-12-01
Salinization is one of the major concerns in irrigated agricultural fields. Increasing salinity concentrations are due principally to a high water table that results from excessive irrigation, canal seepage, and a lack of efficient drainage systems, and lead to decreasing crop yield. High groundwater salinity loading to nearby river systems also impacts downstream areas, with saline river water diverted for application on irrigated fields. To assess the different strategies for salt remediation, we present a reactive transport model (UZF-RT3D) coupled with a salinity equilibrium chemistry module for simulating the fate and transport of salt ions in a variably-saturated agricultural groundwater system. The developed model accounts not for advection, dispersion, nitrogen and sulfur cycling, oxidation-reduction, sorption, complexation, ion exchange, and precipitation/dissolution of salt minerals. The model is applied to a 500 km2 region within the Lower Arkansas River Valley (LARV) in southeastern Colorado, an area acutely affected by salinization in the past few decades. The model is tested against salt ion concentrations in the saturated zone, total dissolved solid concentrations in the unsaturated zone, and salt groundwater loading to the Arkansas River. The model now can be used to investigate salinity remediation strategies.
Coupled climate model simulations of Mediterranean winter cyclones and large-scale flow patterns
Directory of Open Access Journals (Sweden)
B. Ziv
2013-03-01
Full Text Available The study aims to evaluate the ability of global, coupled climate models to reproduce the synoptic regime of the Mediterranean Basin. The output of simulations of the 9 models included in the IPCC CMIP3 effort is compared to the NCEP-NCAR reanalyzed data for the period 1961–1990. The study examined the spatial distribution of cyclone occurrence, the mean Mediterranean upper- and lower-level troughs, the inter-annual variation and trend in the occurrence of the Mediterranean cyclones, and the main large-scale circulation patterns, represented by rotated EOFs of 500 hPa and sea level pressure. The models reproduce successfully the two maxima in cyclone density in the Mediterranean and their locations, the location of the average upper- and lower-level troughs, the relative inter-annual variation in cyclone occurrences and the structure of the four leading large scale EOFs. The main discrepancy is the models' underestimation of the cyclone density in the Mediterranean, especially in its western part. The models' skill in reproducing the cyclone distribution is found correlated with their spatial resolution, especially in the vertical. The current improvement in model spatial resolution suggests that their ability to reproduce the Mediterranean cyclones would be improved as well.
Wigger, Tina; Seidel, Albrecht; Karst, Uwe
2017-06-01
Electrochemistry coupled to liquid chromatography and mass spectrometry was used for simulating the biological and environmental fate of polycyclic aromatic hydrocarbons (PAHs) as well as for studying the PAH degradation behavior during electrochemical remediation. Pyrene and benzo[a]pyrene were selected as model compounds and oxidized within an electrochemical thin-layer cell equipped with boron-doped diamond electrode. At potentials of 1.2 and 1.6 V vs. Pd/H 2 , quinones were found to be the major oxidation products for both investigated PAHs. These quinones belong to a large group of PAH derivatives referred to as oxygenated PAHs, which have gained increasing attention in recent years due to their high abundance in the environment and their significant toxicity. Separation of oxidation products allowed the identification of two pyrene quinone and three benzo[a]pyrene quinone isomers, all of which are known to be formed via photooxidation and during mammalian metabolism. The good correlation between electrochemically generated PAH quinones and those formed in natural processes was also confirmed by UV irradiation experiments and microsomal incubations. At potentials higher than 2.0 V, further degradation of the initial oxidation products was observed which highlights the capability of electrochemistry to be used as remediation technique. Copyright © 2017 Elsevier Ltd. All rights reserved.
Energy Technology Data Exchange (ETDEWEB)
Veneziani, Carmela [Los Alamos National Lab. (LANL), Los Alamos, NM (United States)
2017-02-06
Two sets of simulations were performed within this allocation: 1) a 12-year fully-coupled experiment in preindustrial conditions, using the CICE4 version of the sea-ice model; 2) a set of multi-decadal ocean-ice-only experiments, forced with CORE-I atmospheric fields and using the CICE5 version of the sea-ice model. Results from simulation 1) are presented in Figures 1-3, and specific results from a simulation in 2) with tracer releases are presented in Figure 4.
International Nuclear Information System (INIS)
Canamon, I.; Javier Elorza, F.; Ababou, R.
2007-01-01
We present a problem involving the modeling of coupled flow and elastic strain in a 3D fractured porous rock, which requires prior homogenization (up-scaling) of the fractured medium into an equivalent Darcian anisotropic continuum. The governing equations form a system of PDE's (Partial Differential Equations) and, depending on the case being considered, this system may involve two different types of 'couplings' (in a real system, both couplings (1) and (2) generally take place): 1) Hydraulic coupling in a single (no exchange) or in a dual matrix-fracture continuum (exchange); 2) Thermo-Hydro-Mechanical interactions between fluid flow, pressure, elastic stress, strain, and temperature. We present here a preliminary model and simulation results with FEMLAB R , for the hydraulic problem with anisotropic heterogeneous coefficients. The model is based on data collected at an instrumented granitic site (FEBEX project) for studying a hypothetical nuclear waste repository at the Grimsel Test Site in the Swiss Alps. (authors)
Liebermann, Ralf; Kraft, Philipp; Houska, Tobias; Breuer, Lutz; Müller, Christoph; Kraus, David; Haas, Edwin; Klatt, Steffen
2015-04-01
Among anthropogenic greenhouse gas emissions, CO2 is the dominant driver of global climate change. Next to its direct impact on the radiation budget, it also affects the climate system by triggering feedback mechanisms in terrestrial ecosystems. Such mechanisms - like stimulated photosynthesis, increased root exudations and reduced stomatal transpiration - influence both the input and the turnover of carbon and nitrogen compounds in the soil. The stabilization and decomposition of these compounds determines how increasing CO2 concentrations change the terrestrial trace gas emissions, especially CO2, N2O and CH4. To assess the potential reaction of terrestrial greenhouse gas emissions to rising tropospheric CO2 concentration, we make use of a comprehensive ecosystem model integrating known processes and fluxes of the carbon-nitrogen cycle in soil, vegetation and water. We apply a state-of-the-art ecosystem model with measurements from a long term field experiment of CO2 enrichment. The model - a grassland realization of LandscapeDNDC - simulates soil chemistry coupled with plant physiology, microclimate and hydrology. The data - comprising biomass, greenhouse gas emissions, management practices and soil properties - has been attained from a FACE (Free Air Carbon dioxide Enrichment) experiment running since 1997 on a temperate grassland in Giessen, Germany. Management and soil data, together with weather records, are used to drive the model, while cut biomass as well as CO2 and N2O emissions are used for calibration and validation. Starting with control data from installations without CO2 enhancement, we begin with a GLUE (General Likelihood Uncertainty Estimation) assessment using Latin Hypercube to reduce the range of the model parameters. This is followed by a detailed sensitivity analysis, the application of DREAM-ZS for model calibration, and an estimation of the effect of input uncertainty on the simulation results. Since first results indicate problems with
Hazra, Anupam; Chaudhari, Hemantkumar S.; Saha, Subodh Kumar; Pokhrel, Samir; Goswami, B. N.
2017-10-01
Simulation of the spatial and temporal structure of the monsoon intraseasonal oscillations (MISOs), which have effects on the seasonal mean and annual cycle of Indian summer monsoon (ISM) rainfall, remains a grand challenge for the state-of-the-art global coupled models. Biases in simulation of the amplitude and northward propagation of MISOs and related dry rainfall bias over ISM region in climate models are limiting the current skill of monsoon prediction. Recent observations indicate that the convective microphysics of clouds may be critical in simulating the observed MISOs. The hypothesis is strongly supported by high fidelity in simulation of the amplitude and space-time spectra of MISO by a coupled climate model, when our physically based modified cloud microphysics scheme is implemented in conjunction with a modified new Simple Arakawa Schubert (nSAS) convective parameterization scheme. Improved simulation of MISOs appears to have been aided by much improved simulation of the observed high cloud fraction and convective to stratiform rain fractions and resulted into a much improved simulation of the ISM rainfall, monsoon onset, and the annual cycle.
Energy Technology Data Exchange (ETDEWEB)
Lee, Jae Ryong; Yoon, Han Young [Korea Atomic Energy Research Institute, Daejeon (Korea, Republic of)
2015-10-15
As a thermal-hydraulic behavior in the secondary side of steam generator such as two-phase boiling flow, flow-induce vibration of U-tubes is quite complicated, the importance to numerically investigate the flow behavior has been arisen. Recently, multi-scale analyses have been developed to take into account the primary side as well. In this study, the coupled CUPID and MARS code was used for the simulation of boiler side of the PWR steam generator. Calculation results are compared with the existing code quantitatively. Coupled CUPID/MARS code was applied for the simulation of the steam generator. The primary side of the steam generator and other RCS was simulated by MARS and the secondary side was calculated by CUPID with porous media approach.
Improved simulation of tropospheric ozone by a global-multi-regional two-way coupling model system
Directory of Open Access Journals (Sweden)
Y. Yan
2016-02-01
Full Text Available Small-scale nonlinear chemical and physical processes over pollution source regions affect the tropospheric ozone (O3, but these processes are not captured by current global chemical transport models (CTMs and chemistry–climate models that are limited by coarse horizontal resolutions (100–500 km, typically 200 km. These models tend to contain large (and mostly positive tropospheric O3 biases in the Northern Hemisphere. Here we use the recently built two-way coupling system of the GEOS-Chem CTM to simulate the regional and global tropospheric O3 in 2009. The system couples the global model (at 2.5° long. × 2° lat. and its three nested models (at 0.667° long. × 0.5° lat. covering Asia, North America and Europe, respectively. Specifically, the nested models take lateral boundary conditions (LBCs from the global model, better capture small-scale processes and feed back to modify the global model simulation within the nested domains, with a subsequent effect on their LBCs. Compared to the global model alone, the two-way coupled system better simulates the tropospheric O3 both within and outside the nested domains, as found by evaluation against a suite of ground (1420 sites from the World Data Centre for Greenhouse Gases (WDCGG, the United States National Oceanic and Atmospheric Administration (NOAA Earth System Research Laboratory Global Monitoring Division (GMD, the Chemical Coordination Centre of European Monitoring and Evaluation Programme (EMEP, and the United States Environmental Protection Agency Air Quality System (AQS, aircraft (the High-performance Instrumented Airborne Platform for Environmental Research (HIAPER Pole-to-Pole Observations (HIPPO and Measurement of Ozone and Water Vapor by Airbus In- Service Aircraft (MOZAIC and satellite measurements (two Ozone Monitoring Instrument (OMI products. The two-way coupled simulation enhances the correlation in day-to-day variation of afternoon mean surface O3
XMDS2: Fast, scalable simulation of coupled stochastic partial differential equations
Dennis, Graham R.; Hope, Joseph J.; Johnsson, Mattias T.
2013-01-01
XMDS2 is a cross-platform, GPL-licensed, open source package for numerically integrating initial value problems that range from a single ordinary differential equation up to systems of coupled stochastic partial differential equations. The equations are described in a high-level XML-based script, and the package generates low-level optionally parallelised C++ code for the efficient solution of those equations. It combines the advantages of high-level simulations, namely fast and low-error development, with the speed, portability and scalability of hand-written code. XMDS2 is a complete redesign of the XMDS package, and features support for a much wider problem space while also producing faster code. Program summaryProgram title: XMDS2 Catalogue identifier: AENK_v1_0 Program summary URL:http://cpc.cs.qub.ac.uk/summaries/AENK_v1_0.html Program obtainable from: CPC Program Library, Queen's University, Belfast, N. Ireland Licensing provisions: GNU General Public License, version 2 No. of lines in distributed program, including test data, etc.: 872490 No. of bytes in distributed program, including test data, etc.: 45522370 Distribution format: tar.gz Programming language: Python and C++. Computer: Any computer with a Unix-like system, a C++ compiler and Python. Operating system: Any Unix-like system; developed under Mac OS X and GNU/Linux. RAM: Problem dependent (roughly 50 bytes per grid point) Classification: 4.3, 6.5. External routines: The external libraries required are problem-dependent. Uses FFTW3 Fourier transforms (used only for FFT-based spectral methods), dSFMT random number generation (used only for stochastic problems), MPI message-passing interface (used only for distributed problems), HDF5, GNU Scientific Library (used only for Bessel-based spectral methods) and a BLAS implementation (used only for non-FFT-based spectral methods). Nature of problem: General coupled initial-value stochastic partial differential equations. Solution method: Spectral method
Directory of Open Access Journals (Sweden)
Wei Zhang
2014-01-01
Full Text Available River networks and estuaries are very common in coastal areas. Runoff from the upper stream interacts with tidal current from open sea in these two systems, leading to a complex hydrodynamics process. Therefore, it is necessary to consider the two systems as a whole to study the flow and suspended sediment transport. Firstly, a 1D model is established in the Pearl River network and a 3D model is applied in its estuary. As sufficient mass exchanges between the river network and its estuary, a strict mathematical relationship of water level at the interfaces can be adopted to couple the 1D model with the 3D model. By doing so, the coupled model does not need to have common nested grids. The river network exchanges the suspended sediment with its estuary by adding the continuity conditions at the interfaces. The coupled model is, respectively, calibrated in the dry season and the wet season. The results demonstrate that the coupled model works excellently in simulating water level and discharge. Although there are more errors in simulating suspended sediment concentration due to some reasons, the coupled model is still good enough to evaluate the suspended sediment transport in river network and estuary systems.
Energy Technology Data Exchange (ETDEWEB)
Shi, L.; Skinner, J. L. [Theoretical Chemistry Institute and Department of Chemistry, University of Wisconsin, Madison, Wisconsin 53706 (United States)
2015-07-07
OH-stretch inelastic incoherent neutron scattering (IINS) has been measured to determine the vibrational density of states (VDOS) in the OH-stretch region for liquid water, supercooled water, and ice Ih, providing complementary information to IR and Raman spectroscopies about hydrogen bonding in these phases. In this work, we extend the combined electronic-structure/molecular-dynamics (ES/MD) method, originally developed by Skinner and co-workers to simulate OH-stretch IR and Raman spectra, to the calculation of IINS spectra with small k values. The agreement between theory and experiment in the limit k → 0 is reasonable, further validating the reliability of the ES/MD method in simulating OH-stretch spectroscopy in condensed phases. The connections and differences between IINS and IR spectra are analyzed to illustrate the advantages of IINS over IR in estimating the OH-stretch VDOS.
International Nuclear Information System (INIS)
Shi, L.; Skinner, J. L.
2015-01-01
OH-stretch inelastic incoherent neutron scattering (IINS) has been measured to determine the vibrational density of states (VDOS) in the OH-stretch region for liquid water, supercooled water, and ice Ih, providing complementary information to IR and Raman spectroscopies about hydrogen bonding in these phases. In this work, we extend the combined electronic-structure/molecular-dynamics (ES/MD) method, originally developed by Skinner and co-workers to simulate OH-stretch IR and Raman spectra, to the calculation of IINS spectra with small k values. The agreement between theory and experiment in the limit k → 0 is reasonable, further validating the reliability of the ES/MD method in simulating OH-stretch spectroscopy in condensed phases. The connections and differences between IINS and IR spectra are analyzed to illustrate the advantages of IINS over IR in estimating the OH-stretch VDOS
Saha, Subodh Kumar; Sujith, K.; Pokhrel, Samir; Chaudhari, Hemantkumar S.; Hazra, Anupam
2017-03-01
The Noah version 2.7.1 is a moderately complex land surface model (LSM), with a single layer snowpack, combined with vegetation and underlying soil layer. Many previous studies have pointed out biases in the simulation of snow, which may hinder the skill of a forecasting system coupled with the Noah. In order to improve the simulation of snow by the Noah, a multilayer snow scheme (up to a maximum of six layers) is introduced. As Noah is the land surface component of the Climate Forecast System version 2 (CFSv2) of the National Centers for Environmental Prediction (NCEP), the modified Noah is also coupled with the CFSv2. The offline LSM shows large improvements in the simulation of snow depth, snow water equivalent (SWE), and snow cover area during snow season (October to June). CFSv2 with the modified Noah reveals a dramatic improvements in the simulation of snow depth and 2 m air temperature and moderate improvements in SWE. As suggested in the previous diagnostic and sensitivity study, improvements in the simulation of snow by CFSv2 have lead to the reduction in dry bias over the Indian subcontinent (by a maximum of 2 mm d-1). The multilayer snow scheme shows promising results in the simulation of snow as well as Indian summer monsoon rainfall and hence this development may be the part of the future version of the CFS.
Coupled atmosphere-ocean-wave simulations of a storm event over the Gulf of Lion and Balearic Sea
Renault, Lionel; Chiggiato, Jacopo; Warner, John C.; Gomez, Marta; Vizoso, Guillermo; Tintore, Joaquin
2012-01-01
The coastal areas of the North-Western Mediterranean Sea are one of the most challenging places for ocean forecasting. This region is exposed to severe storms events that are of short duration. During these events, significant air-sea interactions, strong winds and large sea-state can have catastrophic consequences in the coastal areas. To investigate these air-sea interactions and the oceanic response to such events, we implemented the Coupled Ocean-Atmosphere-Wave-Sediment Transport Modeling System simulating a severe storm in the Mediterranean Sea that occurred in May 2010. During this event, wind speed reached up to 25 m.s-1 inducing significant sea surface cooling (up to 2°C) over the Gulf of Lion (GoL) and along the storm track, and generating surface waves with a significant height of 6 m. It is shown that the event, associated with a cyclogenesis between the Balearic Islands and the GoL, is relatively well reproduced by the coupled system. A surface heat budget analysis showed that ocean vertical mixing was a major contributor to the cooling tendency along the storm track and in the GoL where turbulent heat fluxes also played an important role. Sensitivity experiments on the ocean-atmosphere coupling suggested that the coupled system is sensitive to the momentum flux parameterization as well as air-sea and air-wave coupling. Comparisons with available atmospheric and oceanic observations showed that the use of the fully coupled system provides the most skillful simulation, illustrating the benefit of using a fully coupled ocean-atmosphere-wave model for the assessment of these storm events.
Khodri, M.
2006-12-01
On a regional perspective the database of proxy information for South America during the Last Glacial Maximum (LGM) shows large and regionally extensive changes of the mean climate and vegetation types over the Amazon basin. In some instances these changes were associated with decrease in the mean precipitation amount (and most probably in moist deep convection) over the Amazonian and South East Brazil monsoon regions and wetter mean conditions in present day drought-prone regions such as Northeast of Brazil (Nordeste). These changes have been interpreted as local responses to shift in the mean position and intensity of the Atlantic ITCZ due to glacial extratropical forcings or to changes in the South American Monsoons. However there are still two issues is the path to further understand the mechanism of climate change over South America during the LGM. The first is incomplete knowledge in both the modeling and observational communities of how the moist deep convection over the Amazonian region respond to glacial boundary condition and how this changes might interact with the meridional shift of rainfall over Nordeste and Atlantic Ocean. The second is our understanding of how ocean-atmosphere changes that do occur in the tropical Pacific region influence the climate of the remainder of the planet and on a regional way over South America. Using PMIP-2 coupled Ocean-Atmosphere simulations for LGM and comparison to paleodata we show that hydrological cycle changes over the Amazon basin might be independent of their Atlantic Ocean counterpart, while teleconnections with Pacific Ocean might have played a significant role in the observed changes over tropical South America.
Coupled electron-ion Monte Carlo simulation of hydrogen molecular crystals
Rillo, Giovanni; Morales, Miguel A.; Ceperley, David M.; Pierleoni, Carlo
2018-03-01
We performed simulations for solid molecular hydrogen at high pressures (250 GPa ≤ P ≤ 500 GPa) along two isotherms at T = 200 K (phase III) and at T = 414 K (phase IV). At T = 200 K, we considered likely candidates for phase III, the C2c and Cmca12 structures, while at T = 414 K in phase IV, we studied the Pc48 structure. We employed both Coupled Electron-Ion Monte Carlo (CEIMC) and Path Integral Molecular Dynamics (PIMD). The latter is based on Density Functional Theory (DFT) with the van der Waals approximation (vdW-DF). The comparison between the two methods allows us to address the question of the accuracy of the exchange-correlation approximation of DFT for thermal and quantum protons without recurring to perturbation theories. In general, we find that atomic and molecular fluctuations in PIMD are larger than in CEIMC which suggests that the potential energy surface from vdW-DF is less structured than the one from quantum Monte Carlo. We find qualitatively different behaviors for systems prepared in the C2c structure for increasing pressure. Within PIMD, the C2c structure is dynamically partially stable for P ≤ 250 GPa only: it retains the symmetry of the molecular centers but not the molecular orientation; at intermediate pressures, it develops layered structures like Pbcn or Ibam and transforms to the metallic Cmca-4 structure at P ≥ 450 GPa. Instead, within CEIMC, the C2c structure is found to be dynamically stable at least up to 450 GPa; at increasing pressure, the molecular bond length increases and the nuclear correlation decreases. For the other two structures, the two methods are in qualitative agreement although quantitative differences remain. We discuss various structural properties and the electrical conductivity. We find that these structures become conducting around 350 GPa but the metallic Drude-like behavior is reached only at around 500 GPa, consistent with recent experimental claims.
Intelligent simulation of aquatic environment economic policy coupled ABM and SD models.
Wang, Huihui; Zhang, Jiarui; Zeng, Weihua
2018-03-15
Rapid urbanization and population growth have resulted in serious water shortage and pollution of the aquatic environment, which are important reasons for the complex increase in environmental deterioration in the region. This study examines the environmental consequences and economic impacts of water resource shortages under variant economic policies; however, this requires complex models that jointly consider variant agents and sectors within a systems perspective. Thus, we propose a complex system model that couples multi-agent based models (ABM) and system dynamics (SD) models to simulate the impact of alternative economic policies on water use and pricing. Moreover, this model took the constraint of the local water resources carrying capacity into consideration. Results show that to achieve the 13th Five Year Plan targets in Dianchi, water prices for local residents and industries should rise to 3.23 and 4.99 CNY/m 3 , respectively. The corresponding sewage treatment fees for residents and industries should rise to 1.50 and 2.25 CNY/m 3 , respectively, assuming comprehensive adjustment of industrial structure and policy. At the same time, the local government should exercise fine-scale economic policy combined with emission fees assessed for those exceeding a standard, and collect fines imposed as punishment for enterprises that exceed emission standards. When fines reach 500,000 CNY, the total number of enterprises that exceed emission standards in the basin can be controlled within 1%. Moreover, it is suggested that the volume of water diversion in Dianchi should be appropriately reduced to 3.06×10 8 m 3 . The reduced expense of water diversion should provide funds to use for the construction of recycled water facilities. Then the local rise in the rate of use of recycled water should reach 33%, and 1.4 CNY/m 3 for the price of recycled water could be provided to ensure the sustainable utilization of local water resources. Copyright © 2017 Elsevier B
Liu, Yushi; Poh, Hee Joo
2014-11-01
The Computational Fluid Dynamics analysis has become increasingly important in modern urban planning in order to create highly livable city. This paper presents a multi-scale modeling methodology which couples Weather Research and Forecasting (WRF) Model with open source CFD simulation tool, OpenFOAM. This coupling enables the simulation of the wind flow and pollutant dispersion in urban built-up area with high resolution mesh. In this methodology meso-scale model WRF provides the boundary condition for the micro-scale CFD model OpenFOAM. The advantage is that the realistic weather condition is taken into account in the CFD simulation and complexity of building layout can be handled with ease by meshing utility of OpenFOAM. The result is validated against the Joint Urban 2003 Tracer Field Tests in Oklahoma City and there is reasonably good agreement between the CFD simulation and field observation. The coupling of WRF- OpenFOAM provide urban planners with reliable environmental modeling tool in actual urban built-up area; and it can be further extended with consideration of future weather conditions for the scenario studies on climate change impact.
CTF/DYN3D multi-scale coupled simulation of a rod ejection transient on the NURESIM platform
Directory of Open Access Journals (Sweden)
Yann Périn
2017-09-01
Full Text Available In the framework of the EU funded project NURESAFE, the subchannel code CTF and the neutronics code DYN3D were integrated and coupled on the NURESIM platform. The developments achieved during this 3-year project include assembly-level and pin-by-pin multiphysics thermal hydraulics/neutron kinetics coupling. In order to test this coupling, a PWR rod ejection transient was simulated on a MOX/UOX minicore. The transient is simulated using two different models of the minicore. In the first simulation, both codes model the core with an assembly-wise resolution. In the second simulation, a pin-by-pin fuel-centered model is used in CTF for the central assembly, and a pin power reconstruction method is applied in DYN3D. The analysis shows the influence of the different models on global parameters, such as the power and the average fuel temperature, but also on local parameters such as the maximum fuel temperature.
Energy Technology Data Exchange (ETDEWEB)
Huang, Hai; Plummer, Mitchell; Podgorney, Robert
2013-02-01
Advancement of EGS requires improved prediction of fracture development and growth during reservoir stimulation and long-term operation. This, in turn, requires better understanding of the dynamics of the strongly coupled thermo-hydro-mechanical (THM) processes within fractured rocks. We have developed a physically based rock deformation and fracture propagation simulator by using a quasi-static discrete element model (DEM) to model mechanical rock deformation and fracture propagation induced by thermal stress and fluid pressure changes. We also developed a network model to simulate fluid flow and heat transport in both fractures and porous rock. In this paper, we describe results of simulations in which the DEM model and network flow & heat transport model are coupled together to provide realistic simulation of the changes of apertures and permeability of fractures and fracture networks induced by thermal cooling and fluid pressure changes within fractures. Various processes, such as Stokes flow in low velocity pores, convection-dominated heat transport in fractures, heat exchange between fluid-filled fractures and solid rock, heat conduction through low-permeability matrices and associated mechanical deformations are all incorporated into the coupled model. The effects of confining stresses, developing thermal stress and injection pressure on the permeability evolution of fracture and fracture networks are systematically investigated. Results are summarized in terms of implications for the development and evolution of fracture distribution during hydrofracturing and thermal stimulation for EGS.
Simulation of the Mechanical Response of the 11T Magnet by Means of COMSOL-MpCCI-ANSYS Coupling
Wilczek, Michal
2017-01-01
This report covers the work during my Summer Student internship at CERN as a part of the STEAM group (Simulation of Transient Effects in Accelerator Magnets) in the Technology Department, Machine Protection and Electrical Integrity group. I was responsible for the development of the ANSYS APDL model of the 11T superconducting magnet serving as a proof of concept for magneto-thermo-mechanical co-simulations of quench propagation in COMSOL and ANSYS software. The aforementioned co-simulation estimates the magnetic, thermal, and mechanical response of the magnet during the discharge process, while protected by a recently developed method, called Coupling-Loss Induced Quench (CLIQ). The already existing STEAM framework performs field/circuit coupling of a magneto-thermal field models previously developed by the STEAM. The next task of the group aimed at combining magneto-thermal field solution with the mechanical simulations. Such a coupling is of interest for the High-Luminosity upgrade of the Large Hadron Colli...
Simulation of the first step of the coupling of the PARCS/RELAP5 codes to ANGRA 2 facility
International Nuclear Information System (INIS)
Del Pozzo, Andrea Sanchez; Andrade, Delvonei A. de; Sabundjian, Gaiane
2015-01-01
Since the Three Mile Island (1979) and Chernobyl (1986) accidents, the International Agency of Energy Atomic (IAEA) has worked with the authorities of other countries that use nuclear power plants in order to guarantee the safe of those facilities. The utilities have simulated design basic accidents to verify the integrity of the nuclear power plant to these events. However, after Fukushima accident in Japan (2011), the people have felt insecure and been afraid in relation to nuclear power plants. Today, the international and national organizations, such as the International Agency of Energy Atomic (IAEA) and Comissao Nacional de Energia Nuclear (CNEN), respectively, have worked very hard to prevent some accidents and transients in nuclear power plants in order to ensure the security of the general population. In case of accidents, as the Rod Ejection Accident (REA), it is very important to do the coupling between neutronic and thermal hydraulic areas of nuclear reactors. To solve this type of problem there is the coupling between PARCS/RELAP5 codes. However, to perform this analysis it is necessary to simulate three steps. The first step is simulating the steady state of one nuclear power plant by using RELAP5 code. The second step is to run the steady state of this reactor using the coupling PARCS/RELAP5, and the final step is simulating the REA of this facility with PARCS/RELAP5 coupling. The aim of this work is to show the results of the first step of this analysis, i.e., by means of simulation the steady state of Angra 2 nuclear power plant using RELAP5 version 3.3. In this case, the modeling from the core was more detailed than in the original version developed some years ago for Angra 2. The results obtained in this work were satisfactory. (author)
Simulation of the first step of the coupling of the PARCS/RELAP5 codes to ANGRA 2 facility
Energy Technology Data Exchange (ETDEWEB)
Del Pozzo, Andrea Sanchez; Andrade, Delvonei A. de; Sabundjian, Gaiane, E-mail: delvonei@ipen.br, E-mail: gdjian@ipen.br [Instituto de Pesquisas Energeticas e Nucleares (IPEN/CNEN-SP), Sao Paulo, SP (Brazil)
2015-07-01
Since the Three Mile Island (1979) and Chernobyl (1986) accidents, the International Agency of Energy Atomic (IAEA) has worked with the authorities of other countries that use nuclear power plants in order to guarantee the safe of those facilities. The utilities have simulated design basic accidents to verify the integrity of the nuclear power plant to these events. However, after Fukushima accident in Japan (2011), the people have felt insecure and been afraid in relation to nuclear power plants. Today, the international and national organizations, such as the International Agency of Energy Atomic (IAEA) and Comissao Nacional de Energia Nuclear (CNEN), respectively, have worked very hard to prevent some accidents and transients in nuclear power plants in order to ensure the security of the general population. In case of accidents, as the Rod Ejection Accident (REA), it is very important to do the coupling between neutronic and thermal hydraulic areas of nuclear reactors. To solve this type of problem there is the coupling between PARCS/RELAP5 codes. However, to perform this analysis it is necessary to simulate three steps. The first step is simulating the steady state of one nuclear power plant by using RELAP5 code. The second step is to run the steady state of this reactor using the coupling PARCS/RELAP5, and the final step is simulating the REA of this facility with PARCS/RELAP5 coupling. The aim of this work is to show the results of the first step of this analysis, i.e., by means of simulation the steady state of Angra 2 nuclear power plant using RELAP5 version 3.3. In this case, the modeling from the core was more detailed than in the original version developed some years ago for Angra 2. The results obtained in this work were satisfactory. (author)
Energy Technology Data Exchange (ETDEWEB)
Matthew Ellis; Derek Gaston; Benoit Forget; Kord Smith
2011-07-01
In recent years the use of Monte Carlo methods for modeling reactors has become feasible due to the increasing availability of massively parallel computer systems. One of the primary challenges yet to be fully resolved, however, is the efficient and accurate inclusion of multiphysics feedback in Monte Carlo simulations. The research in this paper presents a preliminary coupling of the open source Monte Carlo code OpenMC with the open source Multiphysics Object-Oriented Simulation Environment (MOOSE). The coupling of OpenMC and MOOSE will be used to investigate efficient and accurate numerical methods needed to include multiphysics feedback in Monte Carlo codes. An investigation into the sensitivity of Doppler feedback to fuel temperature approximations using a two dimensional 17x17 PWR fuel assembly is presented in this paper. The results show a functioning multiphysics coupling between OpenMC and MOOSE. The coupling utilizes Functional Expansion Tallies to accurately and efficiently transfer pin power distributions tallied in OpenMC to unstructured finite element meshes used in MOOSE. The two dimensional PWR fuel assembly case also demonstrates that for a simplified model the pin-by-pin doppler feedback can be adequately replicated by scaling a representative pin based on pin relative powers.
Synchronisation in coupled quantum Hamiltonian superconducting oscillator via a control potential
International Nuclear Information System (INIS)
Al-Khawaja, Sameer
2009-01-01
This paper presents chaos synchronisation in a SQUID device mutually coupled to a resonant LC classical circuit. Via the Hamiltonian of the coupled quantum-classical system and by means of a 'control potential' in the form of a double-well, measure synchronisation has been found to exist. A transition from quasi-periodic to chaotically synchronised orbits in the phase space has been observed, as the strength of coupling is increased between both oscillators. The system reaches a non-synchronised state if the choice of the control potential were to render both oscillators non-identical.
SWATMOD-PREP: Graphical user interface for preparing coupled SWAT-modflow simulations
This paper presents SWATMOD-Prep, a graphical user interface that couples a SWAT watershed model with a MODFLOW groundwater flow model. The interface is based on a recently published SWAT-MODFLOW code that couples the models via mapping schemes. The spatial layout of SWATMOD-Prep guides the user t...
Rao, Chengping; Zhang, Youlin; Wan, Decheng
2017-12-01
Fluid-Structure Interaction (FSI) caused by fluid impacting onto a flexible structure commonly occurs in naval architecture and ocean engineering. Research on the problem of wave-structure interaction is important to ensure the safety of offshore structures. This paper presents the Moving Particle Semi-implicit and Finite Element Coupled Method (MPS-FEM) to simulate FSI problems. The Moving Particle Semi-implicit (MPS) method is used to calculate the fluid domain, while the Finite Element Method (FEM) is used to address the structure domain. The scheme for the coupling of MPS and FEM is introduced first. Then, numerical validation and convergent study are performed to verify the accuracy of the solver for solitary wave generation and FSI problems. The interaction between the solitary wave and an elastic structure is investigated by using the MPS-FEM coupled method.
International Nuclear Information System (INIS)
Schneidesch, Christophe R.; Zhang Jinzhao
2004-01-01
The RELAP5 best-estimate thermal-hydraulic system code has been coupled with the PANTHER three-dimensional neutron kinetics code via the TALINK dynamic data exchange control and processing tool. The coupled RELAP5/PANTHER code package has been qualified and will be used at Tractebel Engineering (TE) for analyzing asymmetric pressurized water reactor (PWR) accidents with strong core-system interactions. The Organization for Economic Cooperation and Development/U.S. Nuclear Regulatory Commission PWR main-steam-line-break benchmark problem was analyzed as part of the qualification efforts to demonstrate the capability of the coupled code package of simulating such transients. This paper reports the main results of TE's contribution to the benchmark Exercise 3
International Nuclear Information System (INIS)
Saverin, Joseph; Peukert, Juliane; Marten, David; Pechlivanoglou, George; Paschereit, Christian Oliver; Greenblatt, David
2016-01-01
The current paper investigates the aeroelastic modelling of large, flexible multi- MW wind turbine blades. Most current performance prediction tools make use of the Blade Element Momentum (BEM) model, based upon a number of simplifying assumptions that hold only under steady conditions. This is why a lifting line free vortex wake (LLFVW) algorithm is used here to accurately resolve unsteady wind turbine aerodynamics. A coupling to the structural analysis tool BeamDyn, based on geometrically exact beam theory, allows for time-resolved aeroelastic simulations with highly deflected blades including bend-twist, coupling. Predictions of blade loading and deformation for rigid and flexible blades are analysed with reference to different aerodynamic and structural approaches. The emergency shutdown procedure is chosen as an examplary design load case causing large deflections to place emphasis on the influence of structural coupling and demonstrate the necessity of high fidelity structural models. (paper)
Ballabio, G.; Dipierro, G.; Veronesi, B.; Lodato, G.; Hutchison, M.; Laibe, G.; Price, D. J.
2018-06-01
We describe a new implementation of the one-fluid method in the SPH code PHANTOM to simulate the dynamics of dust grains in gas protoplanetary discs. We revise and extend previously developed algorithms by computing the evolution of a new fluid quantity that produces a more accurate and numerically controlled evolution of the dust dynamics. Moreover, by limiting the stopping time of uncoupled grains that violate the assumptions of the terminal velocity approximation, we avoid fatal numerical errors in mass conservation. We test and validate our new algorithm by running 3D SPH simulations of a large range of disc models with tightly and marginally coupled grains.
Khosronejad, Ali; Sotiropoulos, Fotis; Stony Brook University Team
2016-11-01
We present a coupled flow and morphodynamic simulations of extreme flooding in 3 km long and 300 m wide reach of the Mississippi River in Minnesota, which includes three islands and hydraulic structures. We employ the large-eddy simulation (LES) and bed-morphodynamic modules of the VFS-Geophysics model to investigate the flow and bed evolution of the river during a 500 year flood. The coupling of the two modules is carried out via a fluid-structure interaction approach using a nested domain approach to enhance the resolution of bridge scour predictions. The geometrical data of the river, islands and structures are obtained from LiDAR, sub-aqueous sonar and in-situ surveying to construct a digital map of the river bathymetry. Our simulation results for the bed evolution of the river reveal complex sediment dynamics near the hydraulic structures. The numerically captured scour depth near some of the structures reach a maximum of about 10 m. The data-driven simulation strategy we present in this work exemplifies a practical simulation-based-engineering-approach to investigate the resilience of infrastructures to extreme flood events in intricate field-scale riverine systems. This work was funded by a Grant from Minnesota Dept. of Transportation.
International Nuclear Information System (INIS)
Dkiouak, R.; Ahachad, M.
2006-01-01
A solar plant for hot-water production was investigated by the dynamic simulation code TRNSYS coupled with PREVIS code. Typical daily university campus consumption for a 240 students was considered. The hot-water demand temperature (45 degree centigrade) is controlled by a conventional fuel auxiliary heater and a tempering valve. The fluids circulate by pumps activated by electricity. Annual energy performance, in terms of solar fraction, was calculated for Tangier.(Author)
Kounalakis, M.; Langford, N. K.; Sagastizabal, R.; Dickel, C.; Bruno, A.; Luthi, F.; Thoen, D. J.; Endo, A.; Dicarlo, L.
The field dipole coupling of quantum light and matter, described by the quantum Rabi model, leads to exotic phenomena when the coupling strength g becomes comparable or larger than the atom and photon frequencies ωq , r. In this ultra-strong coupling regime, excitations are not conserved, leading to collapse-revival dynamics in atom and photon parity and Schrödinger-cat-like atom-photon entanglement. We realize a quantum simulation of the Rabi model using a transmon qubit coupled to a resonator. In this first part, we describe our analog-digital approach to implement up to 90 symmetric Trotter steps, combining single-qubit gates with the Jaynes-Cummings interaction naturally present in our circuit QED system. Controlling the phase of microwave pulses defines a rotating frame and enables simulation of arbitrary parameter regimes of the Rabi model. We demonstrate measurements of qubit parity dynamics showing revivals at g /ωr > 0 . 8 for ωq = 0 and characteristic dynamics for nondegenerate ωq from g / 4 to g. Funding from the EU FP7 Project ScaleQIT, an ERC Grant, the Dutch Research Organization NWO, and Microsoft Research.
María Gómez Castro, Berta; De Simone, Silvia; Rossi, Riccardo; Larese De Tetto, Antonia; Carrera Ramírez, Jesús
2015-04-01
Coupled thermo-hydro-mechanical modeling is essential for CO2 storage because of (1) large amounts of CO2 will be injected, which will cause large pressure buildups and might compromise the mechanical stability of the caprock seal, (2) the most efficient technique to inject CO2 is the cold injection, which induces thermal stress changes in the reservoir and seal. These stress variations can cause mechanical failure in the caprock and can also trigger induced earthquakes. To properly assess these effects, numerical models that take into account the short and long-term thermo-hydro-mechanical coupling are an important tool. For this purpose, there is a growing need of codes that couple these processes efficiently and accurately. This work involves the development of an open-source, finite element code written in C ++ for correctly modeling the effects of thermo-hydro-mechanical coupling in the field of CO2 storage and in others fields related to these processes (geothermal energy systems, fracking, nuclear waste disposal, etc.), and capable to simulate induced seismicity. In order to be able to simulate earthquakes, a new lower dimensional interface element will be implemented in the code to represent preexisting fractures, where pressure continuity will be imposed across the fractures.
International Nuclear Information System (INIS)
Trottier, H.D.; Shakespeare, N.H.; Lepage, G.P.; Mackenzie, P.B.
2002-01-01
Perturbative coefficients for Wilson loops and the static-quark self-energy are extracted from Monte Carlo simulations at weak coupling. The lattice volumes and couplings are chosen to ensure that the lattice momenta are all perturbative. Twisted boundary conditions are used to eliminate the effects of lattice zero modes and to suppress nonperturbative finite-volume effects due to Z(3) phases. Simulations of the Wilson gluon action are done with both periodic and twisted boundary conditions, and over a wide range of lattice volumes (from 3 4 to 16 4 ) and couplings (from β≅9 to β≅60). A high precision comparison is made between the simulation data and results from finite-volume lattice perturbation theory. The Monte Carlo results are shown to be in excellent agreement with perturbation theory through second order. New results for third-order coefficients for a number of Wilson loops and the static-quark self-energy are reported
Feasibility Study of Coupling the CASMO-4/TABLES-3/SIMULATE-3 Code System to TRACE/PARCS
International Nuclear Information System (INIS)
Demaziere, Christophe; Staalek, Mathias
2004-12-01
This report investigates the feasibility of coupling the Studsvik Scandpower CASMO-4/TABLES-3/SIMULATE-3 codes to the US NRC TRACE/PARCS codes. The data required by TRACE/PARCS are actually the ones necessary to run its neutronic module PARCS. Such data are the macroscopic nuclear cross-sections, some microscopic nuclear cross-sections important for the Xenon and Samarium poisoning effects, the Assembly Discontinuity Factors, and the kinetic parameters. All these data can be retrieved from the Studsvik Scandpower codes. The data functionalization is explained in detail for both systems of codes and the possibility of coupling each of these codes to TRACE/PARCS is discussed. Due to confidentiality restrictions in the use of the CASMO-4 files and to an improper format of the TABLES-3 output files, it is demonstrated that TRACE/PARCS can only be coupled to SIMULATE-3. Specifically-dedicated SIMULATE-3 input decks allow easily editing the neutronic data at specific operating statepoints. Although the data functionalization is different between both systems of codes, such a procedure permits reconstructing a set of data directly compatible with PARCS
Liu, Mei-Bing; Chen, Dong-Ping; Chen, Xing-Wei; Chen, Ying
2013-12-01
A coupled watershed-reservoir modeling approach consisting of a watershed distributed model (SWAT) and a two-dimensional laterally averaged model (CE-QUAL-W2) was adopted for simulating the impact of non-point source pollution from upland watershed on water quality of Shanmei Reservoir. Using the daily serial output from Shanmei Reservoir watershed by SWAT as the input to Shanmei Reservoir by CE-QUAL-W2, the coupled modeling was calibrated for runoff and outputs of sediment and pollutant at watershed scale and for elevation, temperature, nitrate, ammonium and total nitrogen in Shanmei Reservoir. The results indicated that the simulated values agreed fairly well with the observed data, although the calculation precision of downstream model would be affected by the accumulative errors generated from the simulation of upland model. The SWAT and CE-QUAL-W2 coupled modeling could be used to assess the hydrodynamic and water quality process in complex watershed comprised of upland watershed and downstream reservoir, and might further provide scientific basis for positioning key pollution source area and controlling the reservoir eutrophication.
Multi-coupling dynamic model and 3d simulation program for in-situ leaching of uranium mining
International Nuclear Information System (INIS)
Tan Kaixuan; Zeng Sheng; Sang Xiao; Sun Bing
2010-01-01
The in-situ leaching of uranium mining is a very complicated non-linear dynamic system, which involves couplings and positive/negative feedback among many factors and processes. A comprehensive, coupled multi-factors and processes dynamic model and simulation method was established to study the in-situ leaching of uranium mining. The model accounts for most coupling among various processes as following: (1) rock texture mechanics and its evolution, (2)the incremental stress rheology of rock deformation, (3) 3-D viscoelastic/ plastic multi-deformation processes, (4) hydrofracturing, (5) tensorial (anisotropic) fracture and rock permeability, (6) water-rock interactions and mass-transport (both advective and diffusive), (7) dissolution-induced chemical compaction, (8) multi-phase fluid flow. A 3-D simulation program was compiled based on Fortran and C++. An example illustrating the application of this model to simulating acidification, production and terminal stage of in situ leaching of uranium mining is presented for the some mine in Xinjiang, China. This model and program can be used for theoretical study, mine design, production management, the study of contaminant transport and restoration in groundwater of in-situ leaching of uranium mining. (authors)
Royer, Jean-François; Chauvin, Fabrice; Daloz, Anne-Sophie
2010-05-01
The response of tropical cyclones (TC) activity to global warming has not yet reached a clear consensus in the Fourth Assessment Report (AR4) published by the Intergovernmental Panel on Climate Change (IPCC, 2007) or in the recent scientific literature. Observed series are neither long nor reliable enough for a statistically significant detection and attribution of past TC trends, and coupled climate models give widely divergent results for the future evolution of TC activity in the different ocean basins. The potential importance of the spatial structure of the future SST warming has been pointed out by Chauvin et al. (2006) in simulations performed at CNRM with the ARPEGE-Climat GCM. The current presentation describes a new set of simulations that have been performed with the ARPEGE-Climat model to try to understand the possible role of SST patterns in the TC cyclogenesis response in 15 CMIP3 coupled simulations analysed by Royer et al (2009). The new simulations have been performed with the atmospheric component of the ARPEGE-Climat GCM forced in 10 year simulations by the SST patterns from each of 15 CMIP3 simulations with different climate model at the end of the 21st century according to scenario A2. The TC analysis is based on the computation of a Convective Yearly Genesis Parameter (CYGP) and the Genesis Potential Index (GPI). The computed genesis indices for each of the ARPEGE-Climat forced simulations is compared with the indices computed directly from the initial coupled simulation. The influence of SST patterns can then be more easily assessed since all the ARPEGE-Climat simulations are performed with the same atmospheric model, whereas the original simulations used models with different parameterization and resolutions. The analysis shows that CYGP or GPI anomalies obtained with ARPEGE are as variable between each other as those obtained originally by the different IPCC models. The variety of SST patterns used to force ARPEGE explains a large part of
Kojima, H.; Yamada, A.; Okazaki, S.
2015-05-01
The intramolecular proton transfer reaction of malonaldehyde in neon solvent has been investigated by mixed quantum-classical molecular dynamics (QCMD) calculations and fully classical molecular dynamics (FCMD) calculations. Comparing these calculated results with those for malonaldehyde in water reported in Part I [A. Yamada, H. Kojima, and S. Okazaki, J. Chem. Phys. 141, 084509 (2014)], the solvent dependence of the reaction rate, the reaction mechanism involved, and the quantum effect therein have been investigated. With FCMD, the reaction rate in weakly interacting neon is lower than that in strongly interacting water. However, with QCMD, the order of the reaction rates is reversed. To investigate the mechanisms in detail, the reactions were categorized into three mechanisms: tunneling, thermal activation, and barrier vanishing. Then, the quantum and solvent effects were analyzed from the viewpoint of the reaction mechanism focusing on the shape of potential energy curve and its fluctuations. The higher reaction rate that was found for neon in QCMD compared with that found for water solvent arises from the tunneling reactions because of the nearly symmetric double-well shape of the potential curve in neon. The thermal activation and barrier vanishing reactions were also accelerated by the zero-point energy. The number of reactions based on these two mechanisms in water was greater than that in neon in both QCMD and FCMD because these reactions are dominated by the strength of solute-solvent interactions.
Hovering of model insects: simulation by coupling equations of motion with Navier-Stokes equations.
Wu, Jiang Hao; Zhang, Yan Lai; Sun, Mao
2009-10-01
When an insect hovers, the centre of mass of its body oscillates around a point in the air and its body angle oscillates around a mean value, because of the periodically varying aerodynamic and inertial forces of the flapping wings. In the present paper, hover flight including body oscillations is simulated by coupling the equations of motion with the Navier-Stokes equations. The equations are solved numerically; periodical solutions representing the hover flight are obtained by the shooting method. Two model insects are considered, a dronefly and a hawkmoth; the former has relatively high wingbeat frequency (n) and small wing mass to body mass ratio, whilst the latter has relatively low wingbeat frequency and large wing mass to body mass ratio. The main results are as follows. (i) The body mainly has a horizontal oscillation; oscillation in the vertical direction is about 1/6 of that in the horizontal direction and oscillation in pitch angle is relatively small. (ii) For the hawkmoth, the peak-to-peak values of the horizontal velocity, displacement and pitch angle are 0.11 U (U is the mean velocity at the radius of gyration of the wing), 0.22 c=4 mm (c is the mean chord length) and 4 deg., respectively. For the dronefly, the corresponding values are 0.02 U, 0.05 c=0.15 mm and 0.3 deg., much smaller than those of the hawkmoth. (iii) The horizontal motion of the body decreases the relative velocity of the wings by a small amount. As a result, a larger angle of attack of the wing, and hence a larger drag to lift ratio or larger aerodynamic power, is required for hovering, compared with the case of neglecting body oscillations. For the hawkmoth, the angle of attack is about 3.5 deg. larger and the specific power about 9% larger than that in the case of neglecting the body oscillations; for the dronefly, the corresponding values are 0.7 deg. and 2%. (iv) The horizontal oscillation of the body consists of two parts; one (due to wing aerodynamic force) is proportional to
Directory of Open Access Journals (Sweden)
Yongnan Zhu
2017-06-01
Full Text Available The performances of hydrological simulations for the Pearl River Basin in China were analysed using the Coupled Land Surface and Hydrological Model System (CLHMS. Three datasets, including East Asia (EA, high-resolution gauge satellite-merged China Merged Precipitation Analysis (CMPA-Daily, and the Asian Precipitation Highly-Resolved Observational Data Integration Towards Evaluation (APHRODITE daily precipitation were used to drive the CLHMS model to simulate daily hydrological processes from 1998 to 2006. The results indicate that the precipitation data was the most important source of uncertainty in the hydrological simulation. The simulated streamflow driven by the CMPA-Daily agreed well with observations, with a Pearson correlation coefficient (PMC greater than 0.70 and an index of agreement (IOA similarity coefficient greater than 0.82 at Liuzhou, Shijiao, and Wuzhou Stations. Comparison of the Nash-Sutcliffe efficiency coefficient (NSE shows that the peak flow simulation ability of CLHMS driven with the CMPA-Daily rainfall is relatively superior to that with the EA and APHRODITE datasets. The simulation results for the high-flow periods in 1998 and 2005 indicate that the CLHMS is promising for its future application in the flood simulation and prediction.
Efficient simulations of fluid flow coupled with poroelastic deformations in pleated filters
Calo, Victor M.; Iliev, Dimitar; Iliev, Oleg; Kirsch, Ralf; Lakdawala, Zahra; Printsypar, Galina
2015-01-01
model describes a free fluid flow coupled with a flow in porous media in a domain that contains the filtering media. To discretize the complex computational domain we use quadrilateral boundary fitted grids which resolve porous-fluid interfaces
Monitoring and preventing numerical oscillations in 3D simulations with coupled Monte Carlo codes
International Nuclear Information System (INIS)
Kotlyar, D.; Shwageraus, E.
2014-01-01
Highlights: • Conventional coupling methods used in all MC codes can be numerically unstable. • Application of new stochastic implicit (SIMP) methods may be required. • The implicit methods require additional computational effort. • Monitoring diagnostic of the numerical stability was developed here. • The procedure allows to create an hybrid explicit–implicit coupling scheme. - Abstract: Previous studies have reported that different schemes for coupling Monte Carlo (MC) neutron transport with burnup and thermal hydraulic feedbacks may potentially be numerically unstable. This issue can be resolved by application of implicit methods, such as the stochastic implicit mid-point (SIMP) methods. In order to assure numerical stability, the new methods do require additional computational effort. The instability issue however, is problem-dependent and does not necessarily occur in all cases. Therefore, blind application of the unconditionally stable coupling schemes, and thus incurring extra computational costs, may not always be necessary. In this paper, we attempt to develop an intelligent diagnostic mechanism, which will monitor numerical stability of the calculations and, if necessary, switch from simple and fast coupling scheme to more computationally expensive but unconditionally stable one. To illustrate this diagnostic mechanism, we performed a coupled burnup and TH analysis of a single BWR fuel assembly. The results indicate that the developed algorithm can be easily implemented in any MC based code for monitoring of numerical instabilities. The proposed monitoring method has negligible impact on the calculation time even for realistic 3D multi-region full core calculations
Vionnet, V.; Martin, E.; Masson, V.; Guyomarc'h, G.; Naaim-Bouvet, F.; Prokop, A.; Durand, Y.; Lac, C.
2013-06-01
In alpine regions, wind-induced snow transport strongly influences the spatio-temporal evolution of the snow cover throughout the winter season. To gain understanding on the complex processes that drive the redistribution of snow, a new numerical model is developed. It couples directly the detailed snowpack model Crocus with the atmospheric model Meso-NH. Meso-NH/Crocus simulates snow transport in saltation and in turbulent suspension and includes the sublimation of suspended snow particles. A detailed representation of the first meters of the atmosphere allows a fine reproduction of the erosion and deposition process. The coupled model is evaluated against data collected around the experimental site of Col du Lac Blanc (2720 m a.s.l., French Alps). For this purpose, a blowing snow event without concurrent snowfall has been selected and simulated. Results show that the model captures the main structures of atmospheric flow in alpine terrain, the vertical profile of wind speed and the snow particles fluxes near the surface. However, the horizontal resolution of 50 m is found to be insufficient to simulate the location of areas of snow erosion and deposition observed by terrestrial laser scanning. When activated, the sublimation of suspended snow particles causes a reduction in deposition of 5.3%. Total sublimation (surface + blowing snow) is three times higher than surface sublimation in a simulation neglecting blowing snow sublimation.
Vionnet, V.; Martin, E.; Masson, V.; Guyomarc'h, G.; Naaim-Bouvet, F.; Prokop, A.; Durand, Y.; Lac, C.
2014-03-01
In alpine regions, wind-induced snow transport strongly influences the spatio-temporal evolution of the snow cover throughout the winter season. To gain understanding on the complex processes that drive the redistribution of snow, a new numerical model is developed. It directly couples the detailed snowpack model Crocus with the atmospheric model Meso-NH. Meso-NH/Crocus simulates snow transport in saltation and in turbulent suspension and includes the sublimation of suspended snow particles. The coupled model is evaluated against data collected around the experimental site of Col du Lac Blanc (2720 m a.s.l., French Alps). First, 1-D simulations show that a detailed representation of the first metres of the atmosphere is required to reproduce strong gradients of blowing snow concentration and compute mass exchange between the snowpack and the atmosphere. Secondly, 3-D simulations of a blowing snow event without concurrent snowfall have been carried out. Results show that the model captures the main structures of atmospheric flow in alpine terrain. However, at 50 m grid spacing, the model reproduces only the patterns of snow erosion and deposition at the ridge scale and misses smaller scale patterns observed by terrestrial laser scanning. When activated, the sublimation of suspended snow particles causes a reduction of deposited snow mass of 5.3% over the calculation domain. Total sublimation (surface + blowing snow) is three times higher than surface sublimation in a simulation neglecting blowing snow sublimation.
Damped driven coupled oscillators: entanglement, decoherence and the classical limit
Energy Technology Data Exchange (ETDEWEB)
Mancilla, R D Guerrero; Rey-Gonzalez, R R; Fonseca-Romero, K M [Grupo de Optica e Informacion Cuantica, Departamento de Fisica, Universidad Nacional de Colombia, Bogota (Colombia)], E-mail: rdguerrerom@unal.edu.co, E-mail: rrreyg@unal.edu.co, E-mail: kmfonsecar@unal.edu.co
2009-03-13
We investigate the quantum-classical border, the entanglement and decoherence of an analytically solvable model, comprising a first subsystem (a harmonic oscillator) coupled to a driven and damped second subsystem (another harmonic oscillator). We choose initial states whose dynamics is confined to a couple of two-level systems, and show that the maximum value of entanglement between the two subsystems, as measured by concurrence, depends on the dissipation rate to the coupling-constant ratio and the initial state. While in a related model the entropy of the first subsystem (a two-level system) never grows appreciably (for large dissipation rates), in our model it reaches a maximum before decreasing. Although both models predict small values of entanglement and dissipation, for fixed times of the order of the inverse of the coupling constant and large dissipation rates, these quantities decrease faster, as a function of the ratio of the dissipation rate to the coupling constant, in our model.
Damped driven coupled oscillators: entanglement, decoherence and the classical limit
International Nuclear Information System (INIS)
Mancilla, R D Guerrero; Rey-Gonzalez, R R; Fonseca-Romero, K M
2009-01-01
We investigate the quantum-classical border, the entanglement and decoherence of an analytically solvable model, comprising a first subsystem (a harmonic oscillator) coupled to a driven and damped second subsystem (another harmonic oscillator). We choose initial states whose dynamics is confined to a couple of two-level systems, and show that the maximum value of entanglement between the two subsystems, as measured by concurrence, depends on the dissipation rate to the coupling-constant ratio and the initial state. While in a related model the entropy of the first subsystem (a two-level system) never grows appreciably (for large dissipation rates), in our model it reaches a maximum before decreasing. Although both models predict small values of entanglement and dissipation, for fixed times of the order of the inverse of the coupling constant and large dissipation rates, these quantities decrease faster, as a function of the ratio of the dissipation rate to the coupling constant, in our model
Wang, Shaofeng; Xiang, Xiao; Zhou, Conghua; Zhai, Yiwei; Quan, Runai; Wang, Mengmeng; Hou, Feiyan; Zhang, Shougang; Dong, Ruifang; Liu, Tao
2017-01-01
In this paper, a model for simulating the optical response and noise performances of photodetectors with L-C coupling and transimpedance amplification circuit is presented. To verify the simulation, two kinds of photodetectors, which are based on the same printed-circuit-board (PCB) designing and PIN photodiode but different operational amplifiers, are developed and experimentally investigated. Through the comparisons between the numerical simulation results and the experimentally obtained data, excellent agreements are achieved, which show that the model provides a highly efficient guide for the development of a high signal to noise ratio photodetector. Furthermore, the parasite capacitances on the developed PCB, which are always hardly measured but play a non-negligible influence on the photodetectors' performances, are estimated.
Han, Fei
2016-05-17
The objective (mesh-independent) simulation of evolving discontinuities, such as cracks, remains a challenge. Current techniques are highly complex or involve intractable computational costs, making simulations up to complete failure difficult. We propose a framework as a new route toward solving this problem that adaptively couples local-continuum damage mechanics with peridynamics to objectively simulate all the steps that lead to material failure: damage nucleation, crack formation and propagation. Local-continuum damage mechanics successfully describes the degradation related to dispersed microdefects before the formation of a macrocrack. However, when damage localizes, it suffers spurious mesh dependency, making the simulation of macrocracks challenging. On the other hand, the peridynamic theory is promising for the simulation of fractures, as it naturally allows discontinuities in the displacement field. Here, we present a hybrid local-continuum damage/peridynamic model. Local-continuum damage mechanics is used to describe “volume” damage before localization. Once localization is detected at a point, the remaining part of the energy is dissipated through an adaptive peridynamic model capable of the transition to a “surface” degradation, typically a crack. We believe that this framework, which actually mimics the real physical process of crack formation, is the first bridge between continuum damage theories and peridynamics. Two-dimensional numerical examples are used to illustrate that an objective simulation of material failure can be achieved by this method.
Han, Fei; Lubineau, Gilles; Azdoud, Yan
2016-01-01
The objective (mesh-independent) simulation of evolving discontinuities, such as cracks, remains a challenge. Current techniques are highly complex or involve intractable computational costs, making simulations up to complete failure difficult. We propose a framework as a new route toward solving this problem that adaptively couples local-continuum damage mechanics with peridynamics to objectively simulate all the steps that lead to material failure: damage nucleation, crack formation and propagation. Local-continuum damage mechanics successfully describes the degradation related to dispersed microdefects before the formation of a macrocrack. However, when damage localizes, it suffers spurious mesh dependency, making the simulation of macrocracks challenging. On the other hand, the peridynamic theory is promising for the simulation of fractures, as it naturally allows discontinuities in the displacement field. Here, we present a hybrid local-continuum damage/peridynamic model. Local-continuum damage mechanics is used to describe “volume” damage before localization. Once localization is detected at a point, the remaining part of the energy is dissipated through an adaptive peridynamic model capable of the transition to a “surface” degradation, typically a crack. We believe that this framework, which actually mimics the real physical process of crack formation, is the first bridge between continuum damage theories and peridynamics. Two-dimensional numerical examples are used to illustrate that an objective simulation of material failure can be achieved by this method.
Directory of Open Access Journals (Sweden)
J. Austin
2007-01-01
Full Text Available The results from three 45-year simulations of a coupled chemistry climate model are analysed for solar cycle influences on ozone and temperature. The simulations include UV forcing at the top of the atmosphere, which includes a generic 27-day solar rotation effect as well as the observed monthly values of the solar fluxes. The results are analysed for the 27-day and 11-year cycles in temperature and ozone. In accordance with previous results, the 27-day cycle results are in good qualitative agreement with observations, particularly for ozone. However, the results show significant variations, typically a factor of two or more in sensitivity to solar flux, depending on the solar cycle. In the lower and middle stratosphere we show good agreement also between the modelled and observed 11-year cycle results for the ozone vertical profile averaged over low latitudes. In particular, the minimum in solar response near 20 hPa is well simulated. In comparison, experiments of the model with fixed solar phase (solar maximum/solar mean and climatological sea surface temperatures lead to a poorer simulation of the solar response in the ozone vertical profile, indicating the need for variable phase simulations in solar sensitivity experiments. The role of sea surface temperatures and tropical upwelling in simulating the ozone minimum response are also discussed.
Feng, Xingru; Li, Mingjie; Yin, Baoshu; Yang, Dezhou; Yang, Hongwei
2018-06-01
This is a study of the storm surge trends in some of the typhoon-prone coastal areas of China. An unstructured-grid, storm surge-wave-tide coupled model was established for the coastal areas of Zhejiang, Fujian and Guangdong provinces. The coupled model has a high resolution in coastal areas, and the simulated results compared well with the in situ observations and satellite altimeter data. The typhoon-induced storm surges along the coast of the study areas were simulated based on the established coupled model for the past 20 years (1997-2016). The simulated results were used to analyze the trends of the storm surges in the study area. The extreme storm surge trends along the central coast of Fujian Province reached up to 0.06 m/y, significant at the 90% confidence level. The duration of the storm surges greater than 1.0 and 0.7 m had an increasing trend along the coastal area of northern Fujian Province, significant at confidence levels of 70%-91%. The simulated trends of the extreme storm surges were also validated by observations from two tide gauge stations. Further studies show that the correlation coefficient (RTE) between the duration of the storm surge greater than 1 m and the annual ENSO index can reach as high as 0.62, significant at the 99% confidence level. This occurred in a location where the storm surge trend was not significant. For the areas with significant increasing storm surge trends, RTE was small and not significant. This study identified the storm surge trends for the full complex coastline of the study area. These results are useful both for coastal management by the government and for coastal engineering design.
International Nuclear Information System (INIS)
Holland, C.; Kim, E.J.; Champeaux, S.; Gurcan, O.; Rosenbluth, M.N.; Diamond, P.H.; Tynan, G.R.; Nevins, W.; Candy, J.
2003-01-01
Understanding the physics of shear flow and structure formation in plasmas is a central problem for the advancement of magnetic fusion because of the roles such flows are believed to play in regulating turbulence and transport levels. In this paper, we report on integrated experimental, computational, and theoretical studies of sheared zonal flows and radially extended convective cells, with the aim of assessing the results of theory experiment and theory-simulation comparisons. In particular, simulations are used as test beds for verifying analytical predictions and demonstrating the suitability of techniques such as bispectral analysis for isolating nonlinear couplings in data. Based on intriguing initial results suggesting increased levels of nonlinear coupling occur during L-H transitions, we have undertaken a comprehensive study of bispectral quantities in fluid and gyrokinetic simulations, and compared these results with theoretical expectations. Topics of study include locality and directionality of energy transfer, amplitude scaling, and parameter dependences. Techniques for inferring nonlinear coupling coefficients from data are discussed, and initial results from experimental data are presented. Future experimental studies are motivated. We also present work investigating the role of structures in transport. Analysis of simulation data indicates that the turbulent heat flux can be represented as an ensemble of 'heat pulses' of varying sizes, with a power law distribution. The slope of the power law is shown to determine global transport scaling (i.e. Bohm or gyro-Bohm). Theoretical work studying the dynamics of the largest cells (termed 'streamers') is presented, as well as results from ongoing analysis studying connections between heat pulse distribution and bispectral quantities. (author)
Chung, Eric
2015-12-11
In this paper, we develop a mass conservative multiscale method for coupled flow and transport in heterogeneous porous media. We consider a coupled system consisting of a convection-dominated transport equation and a flow equation. We construct a coarse grid solver based on the Generalized Multiscale Finite Element Method (GMsFEM) for a coupled system. In particular, multiscale basis functions are constructed based on some snapshot spaces for the pressure and the concentration equations and some local spectral decompositions in the snapshot spaces. The resulting approach uses a few multiscale basis functions in each coarse block (for both the pressure and the concentration) to solve the coupled system. We use the mixed framework, which allows mass conservation. Our main contributions are: (1) the development of a mass conservative GMsFEM for the coupled flow and transport; (2) the development of a robust multiscale method for convection-dominated transport problems by choosing appropriate test and trial spaces within Petrov-Galerkin mixed formulation. We present numerical results and consider several heterogeneous permeability fields. Our numerical results show that with only a few basis functions per coarse block, we can achieve a good approximation.
Chung, Eric; Efendiev, Yalchin R.; Leung, Wing; Ren, Jun
2015-01-01
In this paper, we develop a mass conservative multiscale method for coupled flow and transport in heterogeneous porous media. We consider a coupled system consisting of a convection-dominated transport equation and a flow equation. We construct a coarse grid solver based on the Generalized Multiscale Finite Element Method (GMsFEM) for a coupled system. In particular, multiscale basis functions are constructed based on some snapshot spaces for the pressure and the concentration equations and some local spectral decompositions in the snapshot spaces. The resulting approach uses a few multiscale basis functions in each coarse block (for both the pressure and the concentration) to solve the coupled system. We use the mixed framework, which allows mass conservation. Our main contributions are: (1) the development of a mass conservative GMsFEM for the coupled flow and transport; (2) the development of a robust multiscale method for convection-dominated transport problems by choosing appropriate test and trial spaces within Petrov-Galerkin mixed formulation. We present numerical results and consider several heterogeneous permeability fields. Our numerical results show that with only a few basis functions per coarse block, we can achieve a good approximation.
Energy Technology Data Exchange (ETDEWEB)
Reis, Patricia A.L.; Costa, Antonella L.; Hamers, Adolfo R.; Pereira, Claubia; Rodrigues, Thiago D.A.; Mantecon, Javier G.; Veloso, Maria A.F., E-mail: patricialire@yahoo.com.br, E-mail: antonella@nuclear.ufmg.br, E-mail: adolforomerohamers@hotmail.com, E-mail: claubia@nuclear.ufmg.br, E-mail: thiagodanielbh@gmail.com, E-mail: mantecon1987@gmail.com, E-mail: dora@nuclear.ufmg.br [Universidade Federal de Minas Gerais (UFMG), Belo Horizonte, MG (Brazil). Departamento de Engenharia Nuclear; Instituto Nacional de Ciencias e Tecnologia de Reatores Nucleares Inovadores (INCT/CNPq), Belo Horizonte (Brazil); Miro, Rafael; Verdu, Gumersindo, E-mail: rmiro@iqn.upv.es, E-mail: gverdu@iqn.upv.es [Universidad Politecnica de Valencia (Spain). Departamento de Ingenieria Quimica y Nuclear
2015-07-01
The computational advances observed in the last two decades have been provided direct impact on the researches related to nuclear simulations, which use several types of computer codes, including coupled between them, allowing representing with very accuracy the behavior of nuclear plants. Studies of complex scenarios in nuclear reactors have been improved by the use of thermal-hydraulic (TH) and neutron kinetics (NK) coupled codes. This technique consists in incorporating three-dimensional (3D) neutron modeling of the reactor core into codes, mainly to simulate transients that involve asymmetric core spatial power distributions and strong feedback effects between neutronics and reactor thermal-hydraulics. Therefore, this work presents preliminary results of TH RELAP5 and the NK PARCS calculations applied to model of the Angra 2 reactor. The WIMSD-5B code has been used to generate the macroscopic cross sections used in the NK code. The results obtained are satisfactory and represent important part of the development of this methodology. The next step is to couple the codes. (author)
CANDU reactor core simulations using fully coupled DRAGON and DONJON calculations
International Nuclear Information System (INIS)
Varin, E.; Marleau, G.
2006-01-01
The operating CANDU-6 reactors are refueled on-power to compensate for the reactivity loss due to fuel burnup. In order to predict the core behavior, fuel bundle burnups and local parameter information need to be tracked. The history-based approach has been developed to follow local parameter as well as history effect in CANDU reactors. The finite reactor diffusion code DONJON and the lattice code DRAGON have been coupled to perform reactor follow-up calculations using a history-based approach. A coupled methodology that manages the transfer of information between standard DONJON and DRAGON data structures has been developed. Push-through refueling can be taken into account directly in cell calculations. Using actual on-site information, an isotopic core content database has been generated with coupled DONJON and DRAGON calculations. Moreover calculations have been performed for different local parameters. Results are compared with those obtained using standard cross section generation approaches
Experimental analysis and simulation calculation of the inductances of loosely coupled transformer
Kerui, Chen; Yang, Han; Yan, Zhang; Nannan, Gao; Ying, Pei; Hongbo, Li; Pei, Li; Liangfeng, Guo
2017-11-01
The experimental design of iron-core wireless power transmission system is designed, and an experimental model of loosely coupled transformer is built. Measuring the air gap on both sides of the transformer 15mm inductor under the parameters. The feasibility and feasibility of using the finite element method to calculate the coil inductance parameters of the loosely coupled transformer are analyzed. The system was modeled by ANSYS, and the magnetic field was calculated by finite element method, and the inductance parameters were calculated. The finite element method is used to calculate the inductive parameters of the loosely coupled transformer, and the basis for the accurate compensation of the capacitance of the wireless power transmission system is established.
Simulation of whole building coupled hygrothermal-airflow transfer in different climates
International Nuclear Information System (INIS)
Qin Menghao; Walton, George; Belarbi, Rafik; Allard, Francis
2011-01-01
The coupled heat, air and moisture transfer between building envelopes and indoor air is complicated, and has a significant influence on the indoor environment and the energy performance of buildings. In the paper, a model for predicting coupled multi-zone hygrothermal-airflow transfer is presented. Both heat and moisture transfer in the building envelope and multi-zone indoor airflow are simultaneously considered; their interactions are modeled. The coupled system model is implemented into Matlab-Simulink, and is validated by using a series of testing tools and experiments. The new program is applied to investigate the moisture transfer effect on indoor air humidity and building energy consumption in different climates (hot-humid, temperate and hot-dry climates). The results show that not accounting for hygrothermal effects in modeling will result in overestimation of energy costs for hot and humid climate situations and possible over sizing of plant leading to inefficient operation.
Integrated building and system simulation using run-time coupled distributed models
Trcka, M.; Hensen, J.L.M.; Wijsman, A.J.T.M.
2006-01-01
In modeling and simulation of real building and heating, ventilating, and air-conditioning (HVAC) system configurations, it is frequently found that certain parts can be represented in one simulation software, while models for other parts of the configuration are only available in other software.
COUPLED FREE AND DISSOLVED PHASE TRANSPORT: NEW SIMULATION CAPABILITIES AND PARAMETER INVERSION
The vadose zone free-phase simulation capabilities of the US EPA Hydrocarbon Spill Screening Model (HSSM) (Weaver et al., 1994) have been linked with the 3-D multi-species dissolved-phase contaminant transport simulator MT3DMS (Zheng and Wang, 1999; Zheng, 2005). The linkage pro...
International Nuclear Information System (INIS)
Fields, S.R.
1981-12-01
The basic equations of the computer model CARDS (Cask-Railcar Dynamic Simulator), developed for the U.S. Nuclear Regulatory Commission to simulate the dynamic behavior of radioactive material shipping package - railcar systems, are presented. A companion model, CARRS (Casks Railcar Response Spectrum Generator), that generates system response as frequency response spectra is also presented in terms of its basic equations
International Nuclear Information System (INIS)
Fields, S.R.
1983-10-01
The basic equations of the computer model CARDS (Cask-Railcar Dynamic Simulator), developed for the US Nuclear Regulatory Commission to simulate the dynamic behavior of radioactive material shipping package - railcar systems, are presented. A companion model, CARRS (Cask Railcar Response Spectrum Generator), that generates system response as frequency response spectra is also presented in terms of its basic equations. 1 reference, 18 figures
International Nuclear Information System (INIS)
Liang, Hongbo; Fan, Man; You, Shijun; Zheng, Wandong; Zhang, Huan; Ye, Tianzhen; Zheng, Xuejing
2017-01-01
Highlights: •Four optical models for parabolic trough solar collectors were compared in detail. •Characteristics of Monte Carlo Method and Finite Volume Method were discussed. •A novel method was presented combining advantages of different models. •The method was suited to optical analysis of collectors with different geometries. •A new kind of cavity receiver was simulated depending on the novel method. -- Abstract: The PTC (parabolic trough solar collector) is widely used for space heating, heat-driven refrigeration, solar power, etc. The concentrated solar radiation is the only energy source for a PTC, thus its optical performance significantly affects the collector efficiency. In this study, four different optical models were constructed, validated and compared in detail. On this basis, a novel coupled method was presented by combining advantages of these models, which was suited to carry out a mass of optical simulations of collectors with different geometrical parameters rapidly and accurately. Based on these simulation results, the optimal configuration of a collector with highest efficiency can be determined. Thus, this method was useful for collector optimization and design. In the four models, MCM (Monte Carlo Method) and FVM (Finite Volume Method) were used to initialize photons distribution, as well as CPEM (Change Photon Energy Method) and MCM were adopted to describe the process of reflecting, transmitting and absorbing. For simulating reflection, transmission and absorption, CPEM was more efficient than MCM, so it was utilized in the coupled method. For photons distribution initialization, FVM saved running time and computation effort, whereas it needed suitable grid configuration. MCM only required a total number of rays for simulation, whereas it needed higher computing cost and its results fluctuated in multiple runs. In the novel coupled method, the grid configuration for FVM was optimized according to the “true values” from MCM of
International Nuclear Information System (INIS)
Lagneau, Vincent
2013-01-01
This report is a snapshot after sixteen years of research in the field of reactive transport, since the beginning of my Ph.D. in 1997. The research revolves around two poles: on the one hand the development of the reactive transport code Hytec, on the other hand application of the code in different fields of the Earth Sciences. The first two parts of the report detail several key points from this research work, most of them published or being published, following the dual development/application logic. The last part opens towards interesting future work. Development of a reactive transport code: The first part, mostly numeric analysis, details the main features of the code Hytec, in which I have been heavily involved since I joined the laboratory. The underlying equations of the model are given. The resolution methods rely on a finite volume discretization over a Voronoi mesh for the whole hydrodynamic part (flow, transport, heat). Coupling between chemistry and transport is performed through a sequential iterative scheme. Specific developments are then presented. The feedback of chemistry on transport requires specific coupling treatment to ensure convergence to the correct solution: the effects need to be taken care of within the coupling iterations. Dual porosity simulation can be elegantly simulated by duplicating the chemical nodes. Integrating the simulation of gases have implications on the flow (simultaneous resolution of the pressure and saturation equations), and transport-solver (species in the gas phase independently of the water phase), and finally coupling with chemistry and gas-water equilibrium. Applications The Hytec code is used in various domains of the Earth Sciences, in and out our laboratory notably by the members of the consortium Pole Geochimie Transport (Reactive transport group). The document details two families of applications I have been particularly interested in over these years. The geologic storage of CO 2 is a potential technology
Energy Technology Data Exchange (ETDEWEB)
Canamon, I.; Javier Elorza, F. [Universidad Politecnica de Madrid, Dept. de Matematica Aplicada y Metodos Informaticas, ETSI Minas (UPM) (Spain); Ababou, R. [Institut de Mecanique des Fluides de Toulouse (IMFT), 31 (France)
2007-07-01
We present a problem involving the modeling of coupled flow and elastic strain in a 3D fractured porous rock, which requires prior homogenization (up-scaling) of the fractured medium into an equivalent Darcian anisotropic continuum. The governing equations form a system of PDE's (Partial Differential Equations) and, depending on the case being considered, this system may involve two different types of 'couplings' (in a real system, both couplings (1) and (2) generally take place): 1) Hydraulic coupling in a single (no exchange) or in a dual matrix-fracture continuum (exchange); 2) Thermo-Hydro-Mechanical interactions between fluid flow, pressure, elastic stress, strain, and temperature. We present here a preliminary model and simulation results with FEMLAB{sup R}, for the hydraulic problem with anisotropic heterogeneous coefficients. The model is based on data collected at an instrumented granitic site (FEBEX project) for studying a hypothetical nuclear waste repository at the Grimsel Test Site in the Swiss Alps. (authors)
Effect of wire size on maxillary arch force/couple systems for a simulated high canine malocclusion.
Major, Paul W; Toogood, Roger W; Badawi, Hisham M; Carey, Jason P; Seru, Surbhi
2014-12-01
To better understand the effects of copper nickel titanium (CuNiTi) archwire size on bracket-archwire mechanics through the analysis of force/couple distributions along the maxillary arch. The hypothesis is that wire size is linearly related to the forces and moments produced along the arch. An Orthodontic Simulator was utilized to study a simplified high canine malocclusion. Force/couple distributions produced by passive and elastic ligation using two wire sizes (Damon 0.014 and 0.018 inch) measured with a sample size of 144. The distribution and variation in force/couple loading around the arch is a complicated function of wire size. The use of a thicker wire increases the force/couple magnitudes regardless of ligation method. Owing to the non-linear material behaviour of CuNiTi, this increase is less than would occur based on linear theory as would apply for stainless steel wires. The results demonstrate that an increase in wire size does not result in a proportional increase of applied force/moment. This discrepancy is explained in terms of the non-linear properties of CuNiTi wires. This non-proportional force response in relation to increased wire size warrants careful consideration when selecting wires in a clinical setting. © 2014 British Orthodontic Society.
International Nuclear Information System (INIS)
Zerrouki, Moussa; Settou, Noureddine; Marif, Yacine; Belhadj, Mohmed Mustapha
2014-01-01
Highlights: • Coupling in series a capillary film solar still and a conventional solar still. • Combined heat and mass transfer analyses in solar distillation systems. • Design parameters of the system are optimized by simulation program. - Abstract: This work presents a numerical simulation of capillary film solar still (distiller) coupled in series with another conventional solar still. Different transfer phenomena of heat and mass are considered to evaluate the daily distillate production. The study takes into account the quality of brackish water with moderate salinity in Adrar city (south of Algeria). The performance of the system is evaluated and compared with that of conventional solar still under the same meteorological conditions. A numerical simulation is carried out to appreciate the developed model and to optimize the relationship between both distillers collecting surfaces. The obtained results show that the system daily production is at 54–83% higher than that of the conventional one. In addition, some parameters influences are studied to define the optimal operating conditions for the present system. For the first solar still, the inclination angle and surfaces ratio have a significant effect on distillate production. Brine flow rate and wind speed have slight effect on still production
Gas coning control for smart wells using a dynamic coupled well-reservoir simulator
Leemhuis, A.P.; Nennie, E.D.; Belfroid, S.P.C.; Alberts, G.J.N.; Peters, E.; Joosten, G.J.P.
2008-01-01
A strong increase in gas inflow due to gas coning and the resulting bean-back because of Gas to Oil Ratio (GOR) constraints can severely limit oil production and reservoir drive energy. In this paper we will use a coupled reservoir-well model to demonstrate that oil production can be increased by
Two Coupled Oscillators : Simulations of the Circadian Pacemaker in Mammalian Activity Rhythms
Daan, Serge; Berde, Charles
1978-01-01
In the activity rhythms of captive small mammals a variety of features, most notably “splitting”, sugges that two coupled oscillators may constitute the pacemaker system which underlies the rhythms. A proposed phenomenological model is developed and expanded here using an explicit quantitative
Patel, R.A.; Perko, J.; Jaques, D.; De Schutter, G.; Ye, G.; Van Breugel, K.
2013-01-01
A Lattice Boltzmann (LB) based reactive transport model intended to capture reactions and solid phase changes occurring at the pore scale is presented. The proposed approach uses LB method to compute multi component mass transport. The LB multi-component transport model is then coupled with the
Reactor physics simulations with coupled Monte Carlo calculation and computational fluid dynamics
International Nuclear Information System (INIS)
Seker, V.; Thomas, J.W.; Downar, T.J.
2007-01-01
A computational code system based on coupling the Monte Carlo code MCNP5 and the Computational Fluid Dynamics (CFD) code STAR-CD was developed as an audit tool for lower order nuclear reactor calculations. This paper presents the methodology of the developed computer program 'McSTAR'. McSTAR is written in FORTRAN90 programming language and couples MCNP5 and the commercial CFD code STAR-CD. MCNP uses a continuous energy cross section library produced by the NJOY code system from the raw ENDF/B data. A major part of the work was to develop and implement methods to update the cross section library with the temperature distribution calculated by STARCD for every region. Three different methods were investigated and implemented in McSTAR. The user subroutines in STAR-CD are modified to read the power density data and assign them to the appropriate variables in the program and to write an output data file containing the temperature, density and indexing information to perform the mapping between MCNP and STAR-CD cells. Preliminary testing of the code was performed using a 3x3 PWR pin-cell problem. The preliminary results are compared with those obtained from a STAR-CD coupled calculation with the deterministic transport code DeCART. Good agreement in the k eff and the power profile was observed. Increased computational capabilities and improvements in computational methods have accelerated interest in high fidelity modeling of nuclear reactor cores during the last several years. High-fidelity has been achieved by utilizing full core neutron transport solutions for the neutronics calculation and computational fluid dynamics solutions for the thermal-hydraulics calculation. Previous researchers have reported the coupling of 3D deterministic neutron transport method to CFD and their application to practical reactor analysis problems. One of the principal motivations of the work here was to utilize Monte Carlo methods to validate the coupled deterministic neutron transport
Energy Technology Data Exchange (ETDEWEB)
Min, S.K.; Hense, A. [Bonn Univ. (Germany). Meteorologisches Inst.; Legutke, S.; Kwon, W.T. [Korea Meteorological Administration, Seoul (Korea). Meteorological Research Inst.
2004-03-01
The climatology and internal variability in a 1000-year control simulation of the coupled atmosphere-ocean global climate model ECHO-G are analyzed and compared with observations and other coupled climate model simulations. ECHO-G requires annual mean flux corrections for heat and freshwater in order to simulate no climate drift for 1000 years, but no flux corrections for momentum. The ECHO-G control run captures well most aspects of the observed seasonal and annual climatology and of the interannual to decadal variability. Model biases are very close to those in ECHAM4 stand-alone integrations with prescribed observed sea surface temperature. A trend comparison between observed and modeled near surface temperatures shows that the observed global warming at near surface level is beyond the range of internal variability produced by ECHO-G. The simulated global mean near surface temperatures, however, show a two-year spectral peak which is linked with a strong biennial bias of energy in the ENSO signal. Consequently, the interannual variability (3-9 years) is underestimated. The overall ENSO structure such as the tropical SST climate and its seasonal cycle, a single ITCZ in the eastern tropical Pacific, and the ENSO phase-locking to the annual cycle are simulated reasonably well by ECHO-G. However, the amplitude of SST variability is overestimated in the eastern equatorial pacific and the observed westward propagation of zonal wind stress over the equatorial pacific is not captured by the model. ENSO-related teleconnection patterns of near surface temperature, precipitation, and mean sea level pressure are reproduced realistically. The station-based NAO index in the model exhibits a 'white' noise spectrum similar to the observed and the NAO-related patterns of near surface temperature, precipitation, and mean sea level pressure are also simulated successfully. However, the model overestimates the additional warming over the north pacific in the high index
Mattei, S.; Nishida, K.; Onai, M.; Lettry, J.; Tran, M. Q.; Hatayama, A.
2017-12-01
We present a fully-implicit electromagnetic Particle-In-Cell Monte Carlo collision code, called NINJA, written for the simulation of inductively coupled plasmas. NINJA employs a kinetic enslaved Jacobian-Free Newton Krylov method to solve self-consistently the interaction between the electromagnetic field generated by the radio-frequency coil and the plasma response. The simulated plasma includes a kinetic description of charged and neutral species as well as the collision processes between them. The algorithm allows simulations with cell sizes much larger than the Debye length and time steps in excess of the Courant-Friedrichs-Lewy condition whilst preserving the conservation of the total energy. The code is applied to the simulation of the plasma discharge of the Linac4 H- ion source at CERN. Simulation results of plasma density, temperature and EEDF are discussed and compared with optical emission spectroscopy measurements. A systematic study of the energy conservation as a function of the numerical parameters is presented.
Directory of Open Access Journals (Sweden)
M. De Lucia
2015-02-01
Full Text Available Fully coupled, multi-phase reactive transport simulations of CO2 storage systems can be approximated by a simplified one-way coupling of hydrodynamics and reactive chemistry. The main characteristics of such systems, and hypotheses underlying the proposed alternative coupling, are (i that the presence of CO2 is the only driving force for chemical reactions and (ii that its migration in the reservoir is only marginally affected by immobilisation due to chemical reactions. In the simplified coupling, the exposure time to CO2 of each element of the hydrodynamic grid is estimated by non-reactive simulations and the reaction path of one single batch geochemical model is applied to each grid element during its exposure time. In heterogeneous settings, analytical scaling relationships provide the dependency of velocity and amount of reactions to porosity and gas saturation. The analysis of TOUGHREACT fully coupled reactive transport simulations of CO2 injection in saline aquifer, inspired to the Ketzin pilot site (Germany, both in homogeneous and heterogeneous settings, confirms that the reaction paths predicted by fully coupled simulations in every element of the grid show a high degree of self-similarity. A threshold value for the minimum concentration of dissolved CO2 considered chemically active is shown to mitigate the effects of the discrepancy between dissolved CO2 migration in non-reactive and fully coupled simulations. In real life, the optimal threshold value is unknown and has to be estimated, e.g. by means of 1-D or 2-D simulations, resulting in an uncertainty ultimately due to the process de-coupling. However, such uncertainty is more than acceptable given that the alternative coupling enables using grids of the order of millions of elements, profiting from much better description of heterogeneous reservoirs at a fraction of the calculation time of fully coupled models.
High Fidelity Simulation of Littoral Environments: Applications and Coupling of Participating Models
National Research Council Canada - National Science Library
Allard, Richard
2003-01-01
The High Fidelity Simulation of Littoral Environments (HFSoLE) Challenge Project (C75) encompasses a suite of seven oceanographic models capable of exchanging information in a physically meaningful sense across the littoral environment...
FEM-DEM coupling simulations of the tool wear characteristics in prestressed machining superalloy
Directory of Open Access Journals (Sweden)
Ruitao Peng
2016-01-01
Full Text Available Due to the complicated contact loading at the tool-chip interface, ceramic tool wear in prestressed machining superalloy is rare difficult to evaluate only by experimental approaches. This study aims to develop a methodology to predict the tool wear evolution by using combined FEM and DEM numerical simulations. Firstly, a finite element model for prestressed cutting is established, subsequently a discrete element model to describe the tool-chip behaviour is established based on the obtained boundary conditions by FEM simulations, finally, simulated results are experimentally validated. The predicted tool wear results show nice agreement with experiments, the simulation indicates that, within a certain range, higher cutting speed effectively results in slighter wear of Sialon ceramic tools, and deeper depth of cut leads to more serious tool wear.
Development and Verification of a Fully Coupled Simulator for Offshore Wind Turbines: Preprint
Energy Technology Data Exchange (ETDEWEB)
Jonkman, J. M.; Buhl, M. L. Jr.
2007-01-01
This report outlines the development of an analysis tool capable of analyzing a variety of wind turbine, support platform, and mooring system configurations.The simulation capability was tested by model-to-model comparisons to ensure its correctness.
Test Results from a Direct Drive Gas Reactor Simulator Coupled to a Brayton Power Conversion Unit
Hervol, David S.; Briggs, Maxwell H.; Owen, Albert K.; Bragg-Sitton, Shannon M.; Godfroy, Thomas J.
2010-01-01
Component level testing of power conversion units proposed for use in fission surface power systems has typically been done using relatively simple electric heaters for thermal input. These heaters do not adequately represent the geometry or response of proposed reactors. As testing of fission surface power systems transitions from the component level to the system level it becomes necessary to more accurately replicate these reactors using reactor simulators. The Direct Drive Gas-Brayton Power Conversion Unit test activity at the NASA Glenn Research Center integrates a reactor simulator with an existing Brayton test rig. The response of the reactor simulator to a change in Brayton shaft speed is shown as well as the response of the Brayton to an insertion of reactivity, corresponding to a drum reconfiguration. The lessons learned from these tests can be used to improve the design of future reactor simulators which can be used in system level fission surface power tests.
Energy Technology Data Exchange (ETDEWEB)
Grahn, Alexander; Gommlich, Andre; Kliem, Soeren [Helmholtz-Zentrum Dresden-Rossendorf e.V., Dresden (Germany). Reactor Safety
2017-06-01
In the framework of the European project NURESAFE, the reactor dynamics code DYN3D developed at HZDR was coupled with the CFD solver TrioU from CEA France. This coupling was used to simulate the coolant mixing in the reactor pressure vessel and in the core during a Main Steamline Break (MSLB) accident and to study its effect on the reactor power.
Haringa, C.; Tang, W.; Wang, G.; Deshmukh, A.T.; van Winden, Wouter A.; Chu, Ju; van Gulik, W.M.; Heijnen, J.J.; Mudde, R.F.; Noorman, H.J.
2018-01-01
We assess the effect of substrate heterogeneity on the metabolic response of P. chrysogenum in industrial bioreactors via the coupling of a 9-pool metabolic model with Euler-Lagrange CFD simulations. In this work, we outline how this coupled hydrodynamic-metabolic modeling can be utilized in 5
Directory of Open Access Journals (Sweden)
M. Seifouri
2013-10-01
Full Text Available In this paper, the laterally coupled distributed feedback semiconductor laser is studied. In the simulations performed, variations of structural parameters such as the grating amplitude a, the ridge width W, the thickness of the active region d, and other structural properties are considered. It is concluded that for certain values of structural parameters, the laser maintains the highest output power, the lowest distortion Bragg frequency δL and the smallest changes in the wavelength λ. Above threshold, output power more than 40mW and SMSR values greater than 50 dB were achieved.
Full simulation study of the top Yukawa coupling at the ILC at $\\sqrt{s}$ = 1 TeV
Price, Tony; Strube, Jan; Tanabe, Tomohiko
2015-01-01
We present a study of the expected precision for measurement of the top Yukawa coupling, yt, in e+e- collisions at a center-of-mass energy of 1 TeV and assuming a beam polarization of P (e-, e+) = (-0.8,+0.2). Independent analyses of ttH final states containing at least six hadronic jets are performed, based on detailed simulations of SiD and ILD, the two candidate detector concepts for the ILC. We estimate that a statistical precision of yt of 4% can be obtained with an integrated luminosity of 1 $\\mathrm{ab}^{-1}$.
International Nuclear Information System (INIS)
Siquieri, R; Emmerich, H; Doernberg, E; Schmid-Fetzer, R
2009-01-01
In this work we present experimental and theoretical investigations of the directional solidification of Al-36 wt% Ni alloy. A phase-field approach (Folch and Plapp 2005 Phys. Rev. E 72 011602) is coupled with the CALPHAD (calculation of phase diagrams) method to be able to simulate directional solidification of Al-Ni alloy including the peritectic phase Al 3 Ni. The model approach is calibrated by systematic comparison to microstructures grown under controlled conditions in directional solidification experiments. To illustrate the efficiency of the model it is employed to investigate the effect of temperature gradient on the microstructure evolution of Al-36 wt% Ni during solidification.
International Nuclear Information System (INIS)
Bouchet, M I De Barros; Matta, C; Le-Mogne, Th; Martin, J Michel; Zhang, Q; III, W Goddard; Kano, M; Mabuchi, Y; Ye, J
2007-01-01
We report a unique tribological system that produces superlubricity under boundary lubrication conditions with extremely little wear. This system is a thin coating of hydrogen-free amorphous Diamond-Like-Carbon (denoted as ta-C) at 353 K in a ta-C/ta-C friction pair lubricated with pure glycerol. To understand the mechanism of friction vanishing we performed ToF-SIMS experiments using deuterated glycerol and 13 C glycerol. This was complemented by first-principles-based computer simulations using the ReaxFF reactive force field to create an atomistic model of ta-C. These simulations show that DLC with the experimental density of 3.24 g/cc leads to an atomistic structure consisting of a 3D percolating network of tetrahedral (sp 3 ) carbons accounting for 71.5% of the total, in excellent agreement with the 70% deduced from our Auger spectroscopy and XANES experiments. The simulations show that the remaining carbons (with sp 2 and sp 1 character) attach in short chains of length 1 to 7. In sliding simulations including glycerol molecules, the surface atoms react readily to form a very smooth carbon surface containing OH-terminated groups. This agrees with our SIMS experiments. The simulations find that the OH atoms are mostly bound to surface sp 1 atoms leading to very flexible elastic response to sliding. Both simulations and experiments suggest that the origin of the superlubricity arises from the formation of this OH-terminated surface
Directory of Open Access Journals (Sweden)
In-Jun Kim
2003-12-01
Full Text Available Engineering qualification model payload for a communications and broadcasting satellite(CBS was developed by ETRI from May, 2000 to April, 2003. For the purpose of functional test and verification of the payload, a real-time hardware-in-the-loop(HITL CBS simulator(CBSSIM was also developed. We assumed that the spacecraft platform for the CBSSIM is a geostationary communication satellite using momentum bias three-axis stabilization control technique based on Koreasat. The payload hardware is combined with CBSSIM via Power, Command and Telemetry System(PCTS of Electrical Ground Support Equipment(EGSE. CBSSIM is connected with PCTS by TCP/IP and the payload is combined with PCTS by MIL-STD-1553B protocol and DC harness. This simulator runs under the PC-based simulation environment with Windows 2000 operating system. The satellite commands from the operators are transferred to the payload or bus subsystem models through the real-time process block in the simulator. Design requirements of the CBSSIM are to operate in real-time and generate telemetry. CBSSIM provides various graphic monitoring interfaces and control functions and supports both pre-launch and after-launch of a communication satellite system. In this paper, the HITL simulator system including CBSSIM, communications payload and PCTS as the medium of interface between CBSSIM and communications payload will be described in aspects of the system architecture, spacecraft models, and simulator operation environment.
International Nuclear Information System (INIS)
Rinkel, J.; Dinten, J.M.; Tabary, J.
2004-01-01
The use of focused anti-scatter grids on digital radiographic systems with two-dimensional detectors produces acquisitions with a decreased scatter to primary ratio and thus improved contrast and resolution. Simulation software is of great interest in optimizing grid configuration according to a specific application. Classical simulators are based on complete detailed geometric descriptions of the grid. They are accurate but very time consuming since they use Monte Carlo code to simulate scatter within the high-frequency grids. We propose a new practical method which couples an analytical simulation of the grid interaction with a radiographic system simulation program. First, a two dimensional matrix of probability depending on the grid is created offline, in which the first dimension represents the angle of impact with respect to the normal to the grid lines and the other the energy of the photon. This matrix of probability is then used by the Monte Carlo simulation software in order to provide the final scattered flux image. To evaluate the gain of CPU time, we define the increasing factor as the increase of CPU time of the simulation with as opposed to without the grid. Increasing factors were calculated with the new model and with classical methods representing the grid with its CAD model as part of the object. With the new method, increasing factors are shorter by one to two orders of magnitude compared with the second one. These results were obtained with a difference in calculated scatter of less than five percent between the new and the classical method. (authors)
Hybrid quantum-classical master equations
International Nuclear Information System (INIS)
Diósi, Lajos
2014-01-01
We discuss hybrid master equations of composite systems, which are hybrids of classical and quantum subsystems. A fairly general form of hybrid master equations is suggested. Its consistency is derived from the consistency of Lindblad quantum master equations. We emphasize that quantum measurement is a natural example of exact hybrid systems. We derive a heuristic hybrid master equation of time-continuous position measurement (monitoring). (paper)
Multiple-Access Quantum-Classical Networks
Razavi, Mohsen
2011-10-01
A multi-user network that supports both classical and quantum communication is proposed. By relying on optical code-division multiple access techniques, this system offers simultaneous key exchange between multiple pairs of network users. A lower bound on the secure key generation rate will be derived for decoy-state quantum key distribution protocols.
Tang, C.; Dennis, R. L.
2012-12-01
First, the ability of the offline coupling of Weather Research & Forecasting Model (WRF) and Variable Infiltration Capacity (VIC) model to produce hydrological and climate variables was evaluated. The performance of the offline couple of WRF and VIC was assessed with respect to key simulated variables through a comparison with the calibrated VIC model simulation. A spatiotemporal comparison of the simulated evaporation (ET), soil moisture (SM), runoff, and baseflow produced by the VIC calibrated run (base data) and by the offline coupling run was conducted. The results showed that the offline couple of VIC with WRF was able to achieve good agreement in the simulation of monthly and daily soil moisture, and monthly evaporation. This suggests the VIC coupling should function without causing a large change in the moisture budget. However, the offline coupling showed most disagreement in daily and monthly runoff, and baseflow which is related to errors in WRF precipitation. Second, the sensitivity of the VIC model to the land cover was assessed by performing a sensitivity simulation using the National Land Cover Database (NLCD) instead of the older NLDAS/AVHRR data. Improved land cover is shown to achieve more accurate simulation of the streamflow.
arXiv Bench Measurements and Simulations of Beam Coupling Impedance
Niedermayer, Uwe
After a general introduction, the basic principles of wake-field and beamcoupling- impedance computations are explained. This includes time domain, frequency domain, and methods that do not include excitations by means of a particle beam. The second part of this paper deals with radio frequency bench measurements of beam coupling impedances. The general procedure of the wire measurement is explained, and its features and limitations are discussed.
International Nuclear Information System (INIS)
Mokhtari, R.; Toodar, A. Samadi; Chegini, N. G.
2011-01-01
We the extend application of the generalized differential quadrature method (GDQM) to solve some coupled nonlinear Schrödinger equations. The cosine-based GDQM is employed and the obtained system of ordinary differential equations is solved via the fourth order Runge—Kutta method. The numerical solutions coincide with the exact solutions in desired machine precision and invariant quantities are conserved sensibly. Some comparisons with the methods applied in the literature are carried out. (general)
International Nuclear Information System (INIS)
Matyash, K; Froehlich, M; Kersten, H; Thieme, G; Schneider, R; Hannemann, M; Hippler, R
2004-01-01
During an experiment involving coating of dust grains trapped in an RF discharge using a sputtering dc-magnetron source, a rotating dust ring was observed and investigated. After the magnetron was switched on, the dust cloud levitating above the RF electrode formed a ring rotating as a rigid body. Langmuir probe diagnostics were used for the measurement of plasma density and potential. It was discovered that the coupling of the dc-magnetron source to the RF discharge causes steep radial gradients in electron density and plasma potential. The rotation of the dust ring is attributed to the azimuthal component of the ion drag force, which appears due to the azimuthal drift of the ions caused by crossed radial electric and axial magnetic fields. In order to get more insight into the mechanism of dust ring rotation, a Particle-in-Cell simulation of a rotating dust cloud was performed. The results of the experiment and simulation are presented and discussed
Energy Technology Data Exchange (ETDEWEB)
Matyash, K [Institut fuer Niedertemperaturplasmaphysik Greifswald, Fr.-L.-Jahn-Strasse 19, 17489 Greifswald (Germany); Froehlich, M [Institut fuer Physik, Ernst-Moritz-Arndt-Universitaet Greifswald, Domstrasse 10a, 17487 Greifswald (Germany); Kersten, H [Institut fuer Niedertemperaturplasmaphysik Greifswald, Fr.-L.-Jahn-Strasse 19, 17489 Greifswald (Germany); Thieme, G [Institut fuer Physik, Ernst-Moritz-Arndt-Universitaet Greifswald, Domstrasse 10a, 17487 Greifswald (Germany); Schneider, R [Max-Planck-Institut fuer Plasmaphysik, Teilinstitut Greifswald, Wendelsteinstrasse 1, 17489 Greifswald (Germany); Hannemann, M [Institut fuer Niedertemperaturplasmaphysik Greifswald, Fr.-L.-Jahn-Strasse 19, 17489 Greifswald (Germany); Hippler, R [Institut fuer Physik, Ernst-Moritz-Arndt-Universitaet Greifswald, Domstrasse 10a, 17487 Greifswald (Germany)
2004-10-07
During an experiment involving coating of dust grains trapped in an RF discharge using a sputtering dc-magnetron source, a rotating dust ring was observed and investigated. After the magnetron was switched on, the dust cloud levitating above the RF electrode formed a ring rotating as a rigid body. Langmuir probe diagnostics were used for the measurement of plasma density and potential. It was discovered that the coupling of the dc-magnetron source to the RF discharge causes steep radial gradients in electron density and plasma potential. The rotation of the dust ring is attributed to the azimuthal component of the ion drag force, which appears due to the azimuthal drift of the ions caused by crossed radial electric and axial magnetic fields. In order to get more insight into the mechanism of dust ring rotation, a Particle-in-Cell simulation of a rotating dust cloud was performed. The results of the experiment and simulation are presented and discussed.
Numerical simulation of gas-phonon coupling in thermal transpiration flows.
Guo, Xiaohui; Singh, Dhruv; Murthy, Jayathi; Alexeenko, Alina A
2009-10-01
Thermal transpiration is a rarefied gas flow driven by a wall temperature gradient and is a promising mechanism for gas pumping without moving parts, known as the Knudsen pump. Obtaining temperature measurements along capillary walls in a Knudsen pump is difficult due to extremely small length scales. Meanwhile, simplified analytical models are not applicable under the practical operating conditions of a thermal transpiration device, where the gas flow is in the transitional rarefied regime. Here, we present a coupled gas-phonon heat transfer and flow model to study a closed thermal transpiration system. Discretized Boltzmann equations are solved for molecular transport in the gas phase and phonon transport in the solid. The wall temperature distribution is the direct result of the interfacial coupling based on mass conservation and energy balance at gas-solid interfaces and is not specified a priori unlike in the previous modeling efforts. Capillary length scales of the order of phonon mean free path result in a smaller temperature gradient along the transpiration channel as compared to that predicted by the continuum solid-phase heat transfer. The effects of governing parameters such as thermal gradients, capillary geometry, gas and phonon Knudsen numbers and, gas-surface interaction parameters on the efficiency of thermal transpiration are investigated in light of the coupled model.
Energy Technology Data Exchange (ETDEWEB)
Potter, Kristin C [National Renewable Energy Laboratory (NREL), Golden, CO (United States); Brunhart-Lupo, Nicholas J [National Renewable Energy Laboratory (NREL), Golden, CO (United States); Bush, Brian W [National Renewable Energy Laboratory (NREL), Golden, CO (United States); Gruchalla, Kenny M [National Renewable Energy Laboratory (NREL), Golden, CO (United States); Bugbee, Bruce [National Renewable Energy Laboratory (NREL), Golden, CO (United States); Krishnan, Venkat K [National Renewable Energy Laboratory (NREL), Golden, CO (United States)
2017-10-09
We have developed a framework for the exploration, design, and planning of energy systems that combines interactive visualization with machine-learning based approximations of simulations through a general purpose dataflow API. Our system provides a visual inter- face allowing users to explore an ensemble of energy simulations representing a subset of the complex input parameter space, and spawn new simulations to 'fill in' input regions corresponding to new enegery system scenarios. Unfortunately, many energy simula- tions are far too slow to provide interactive responses. To support interactive feedback, we are developing reduced-form models via machine learning techniques, which provide statistically sound esti- mates of the full simulations at a fraction of the computational cost and which are used as proxies for the full-form models. Fast com- putation and an agile dataflow enhance the engagement with energy simulations, and allow researchers to better allocate computational resources to capture informative relationships within the system and provide a low-cost method for validating and quality-checking large-scale modeling efforts.
Mohammed, K.; Islam, A. S.; Khan, M. J. U.; Das, M. K.
2017-12-01
With the large number of hydrologic models presently available along with the global weather and geographic datasets, streamflows of almost any river in the world can be easily modeled. And if a reasonable amount of observed data from that river is available, then simulations of high accuracy can sometimes be performed after calibrating the model parameters against those observed data through inverse modeling. Although such calibrated models can succeed in simulating the general trend or mean of the observed flows very well, more often than not they fail to adequately simulate the extreme flows. This causes difficulty in tasks such as generating reliable projections of future changes in extreme flows due to climate change, which is obviously an important task due to floods and droughts being closely connected to people's lives and livelihoods. We propose an approach where the outputs of a physically-based hydrologic model are used as an input to a machine learning model to try and better simulate the extreme flows. To demonstrate this offline-coupling approach, the Soil and Water Assessment Tool (SWAT) was selected as the physically-based hydrologic model, the Artificial Neural Network (ANN) as the machine learning model and the Ganges-Brahmaputra-Meghna (GBM) river system as the study area. The GBM river system, located in South Asia, is the third largest in the world in terms of freshwater generated and forms the largest delta in the world. The flows of the GBM rivers were simulated separately in order to test the performance of this proposed approach in accurately simulating the extreme flows generated by different basins that vary in size, climate, hydrology and anthropogenic intervention on stream networks. Results show that by post-processing the simulated flows of the SWAT models with ANN models, simulations of extreme flows can be significantly improved. The mean absolute errors in simulating annual maximum/minimum daily flows were minimized from 4967
Analysis and simulation of mobile air conditioning system coupled with engine cooling system
International Nuclear Information System (INIS)
Qi, Zhao-gang; Chen, Jiang-ping; Chen, Zhi-jiu
2007-01-01
Many components of the mobile air conditioning system and engine cooling system are closely interrelated and make up the vehicle climate control system. In the present paper, a vehicle climate control system model including air conditioning system and engine cooling system has been proposed under different operational conditions. All the components have been modeled on the basis of experimental data. Based on the commercial software, a computer simulation procedure of the vehicle climate control system has been developed. The performance of the vehicle climate control system is simulated, and the calculational data have good agreement with experimental data. Furthermore, the vehicle climate control simulation results have been compared with an individual air conditioning system and engine cooling system. The influences between the mobile air conditioning system and the engine cooling system are discussed
International Nuclear Information System (INIS)
Hashimoto, M.S.; Tobishima, Taeko; Kamitake, Seigo; Yasuda, Kazuo.
1985-01-01
The emission lines for qualitative analysis of rare earth elements by a simulation technique of ICP spectra were proposed. The spectra were simulated by employing a Gaussian (or a Lorentzian at high concentrations) profile. The simulated spectra corresponded quite well with the observed ones. The emission lines were selected so that the interference was as small as possible. The present qualitative analysis is based on a pattern recognition method where observed intensity ratios of the emission lines in each element are compared with those of a single analyte element. The qualitative analysis was performed for twelve standard solutions containing a single rare earth element and for eight standard solutions containing an element other than rare earth elements. The selection of the emission lines and the algorithm of the present qualitative analysis were justified. (author)
Coupled high fidelity thermal hydraulics and neutronics for reactor safety simulations
International Nuclear Information System (INIS)
Vincent A. Mousseau; Hongbin Zhang; Haihua Zhao
2008-01-01
This work is a continuation of previous work on the importance of accuracy in the simulation of nuclear reactor safety transients. This work is qualitative in nature and future work will be more quantitative. The focus of this work will be on a simplified single phase nuclear reactor primary. The transient of interest investigates the importance of accuracy related to passive (inherent) safety systems. The transient run here will be an Unprotected Loss of Flow (ULOF) transient. Here the coolant pump is turned off and the un-SCRAM-ed reactor transitions from forced to free convection (Natural circulation). Results will be presented that show the difference that the first order in time truncation physics makes on the transient. The purpose of this document is to illuminate a possible problem in traditional reactor simulation approaches. Detailed studies need to be done on each simulation code for each transient analyzed to determine if the first order truncation physics plays an important role
Energy Technology Data Exchange (ETDEWEB)
Rutqvist, J.
2010-06-01
This paper presents recent advancement in and applications of TOUGH-FLAC, a simulator for multiphase fluid flow and geomechanics. The TOUGH-FLAC simulator links the TOUGH family multiphase fluid and heat transport codes with the commercial FLAC{sup 3D} geomechanical simulator. The most significant new TOUGH-FLAC development in the past few years is a revised architecture, enabling a more rigorous and tight coupling procedure with improved computational efficiency. The applications presented in this paper are related to modeling of crustal deformations caused by deep underground fluid movements and pressure changes as a result of both industrial activities (the In Salah CO{sub 2} Storage Project and the Geysers Geothermal Field) and natural events (the 1960s Matsushiro Earthquake Swarm). Finally, the paper provides some perspectives on the future of TOUGH-FLAC in light of its applicability to practical problems and the need for high-performance computing capabilities for field-scale problems, such as industrial-scale CO{sub 2} storage and enhanced geothermal systems. It is concluded that despite some limitations to fully adapting a commercial code such as FLAC{sup 3D} for some specialized research and computational needs, TOUGH-FLAC is likely to remain a pragmatic simulation approach, with an increasing number of users in both academia and industry.
Globus, R. K.; Alwood, J.; Tahimic, C.; Schreurs, A.-S.; Shirazi-Fard, Y.; Terada, M.; Zaragoza, J.; Truong, T.; Bruns, K.; Castillo, A.;
2018-01-01
We examined experimentally the effects of radiation and/or simulated weightlessness by hindlimb unloading on bone and blood vessel function either after a short period or at a later time after transient exposures in adult male, C57Bl6J mice. In sum, recent findings from our studies show that in the short term, ionizing radiation and simulate weightlessness cause greater deficits in blood vessels when combined compared to either challenge alone. In the long term, heavy ion radiation, but not unloading, can lead to persistent, adverse consequences for bone and vessel function, possibly due to oxidative stress-related pathways.
Effects of air-sea coupling over the North Sea and the Baltic Sea on simulated summer precipitation over Central Europe
Ho-Hagemann, Ha Thi Minh; Gröger, Matthias; Rockel, Burkhardt; Zahn, Matthias; Geyer, Beate; Meier, H. E. Markus
2017-12-01
This study introduces a new approach to investigate the potential effects of air-sea coupling on simulated precipitation inland over Central Europe. We present an inter-comparison of two regional climate models (RCMs), namely, the COSMO-CLM (hereafter CCLM) and RCA4 models, which are configured for the EURO-CORDEX domain in the coupled and atmosphere-only modes. Two versions of the CCLM model, namely, 4.8 and 5.0, join the inter-comparison being almost two different models while providing pronouncedly different summer precipitation simulations because of many changes in the dynamics and physics of CCLM in version 5.0. The coupling effect on the prominent summer dry bias over Central Europe is analysed using seasonal (JJA) mean statistics for the 30-year period from 1979 to 2009, with a focus on extreme precipitation under specific weather regimes. The weather regimes are compared between the coupled and uncoupled simulations to better understand the mechanism of the coupling effects. The comparisons of the coupled systems with the atmosphere-only models show that coupling clearly reduces the dry bias over Central Europe for CCLM 4.8, which has a large dry summer bias, but not for CCLM 5.0 and RCA4, which have smaller dry biases. This result implies that if the atmosphere-only model already yields reasonable summer precipitation over Central Europe, not much room for improvement exists that can be caused by the air-sea coupling over the North Sea and the Baltic Sea. However, if the atmosphere-only model shows a pronounced summer dry bias because of a lack of moisture transport from the seas into the region, the considered coupling may create an improved simulation of summer precipitation over Central Europe, such as for CCLM 4.8. For the latter, the benefit of coupling varies over the considered timescales. The precipitation simulations that are generated by the coupled system COSTRICE 4.8 and the atmosphere-only CCLM 4.8 are mostly identical for the summer mean
Cohen, D; Stamnes, S; Tanikawa, T; Sommersten, E R; Stamnes, J J; Lotsberg, J K; Stamnes, K
2013-04-22
A comparison is presented of two different methods for polarized radiative transfer in coupled media consisting of two adjacent slabs with different refractive indices, each slab being a stratified medium with no change in optical properties except in the direction of stratification. One of the methods is based on solving the integro-differential radiative transfer equation for the two coupled slabs using the discrete ordinate approximation. The other method is based on probabilistic and statistical concepts and simulates the propagation of polarized light using the Monte Carlo approach. The emphasis is on non-Rayleigh scattering for particles in the Mie regime. Comparisons with benchmark results available for a slab with constant refractive index show that both methods reproduce these benchmark results when the refractive index is set to be the same in the two slabs. Computed results for test cases with coupling (different refractive indices in the two slabs) show that the two methods produce essentially identical results for identical input in terms of absorption and scattering coefficients and scattering phase matrices.
Directory of Open Access Journals (Sweden)
Jorge Pérez Mañes
2014-01-01
Full Text Available The Institute for Neutron Physics and Reactor Technology (INR at the Karlsruhe Institute of Technology (KIT is investigating the application of the meso- and microscale analysis for the prediction of local safety parameters for light water reactors (LWR. By applying codes like CFD (computational fluid dynamics and SP3 (simplified transport reactor dynamics it is possible to describe the underlying phenomena in a more accurate manner than by the nodal/coarse 1D thermal hydraulic coupled codes. By coupling the transport (SP3 based neutron kinetics (NK code DYN3D with NEPTUNE-CFD, within a parallel MPI-environment, the NHESDYN platform is created. The newly developed system will allow high fidelity simulations of LWR fuel assemblies and cores. In NHESDYN, a heat conduction solver, SYRTHES, is coupled to NEPTUNE-CFD. The driver module of NHESDYN controls the sequence of execution of the solvers as well as the communication between the solvers based on MPI. In this paper, the main features of NHESDYN are discussed and the proof of the concept is done by solving a single pin problem. The prediction capability of NHESDYN is demonstrated by a code-to-code comparison with the DYNSUB code. Finally, the future developments and validation efforts are highlighted.
Petit, Odile; Jouanne, Cédric; Litaize, Olivier; Serot, Olivier; Chebboubi, Abdelhazize; Pénéliau, Yannick
2017-09-01
TRIPOLI-4® Monte Carlo transport code and FIFRELIN fission model have been coupled by means of external files so that neutron transport can take into account fission distributions (multiplicities and spectra) that are not averaged, as is the case when using evaluated nuclear data libraries. Spectral effects on responses in shielding configurations with fission sampling are then expected. In the present paper, the principle of this coupling is detailed and a comparison between TRIPOLI-4® fission distributions at the emission of fission neutrons is presented when using JEFF-3.1.1 evaluated data or FIFRELIN data generated either through a n/g-uncoupled mode or through a n/g-coupled mode. Finally, an application to a modified version of the ASPIS benchmark is performed and the impact of using FIFRELIN data on neutron transport is analyzed. Differences noticed on average reaction rates on the surfaces closest to the fission source are mainly due to the average prompt fission spectrum. Moreover, when working with the same average spectrum, a complementary analysis based on non-average reaction rates still shows significant differences that point out the real impact of using a fission model in neutron transport simulations.
International Nuclear Information System (INIS)
Chargui, R.; Sammouda, H.; Farhat, A.
2013-01-01
Highlights: • We simulate a cooling tower coupled with heat pump system and a single zone using TRNSYS. • We examine the temperature of water inside the cooling tower and inside the single zone. • We study the temporal evolution of the all parameters for 4500 h operation in winter in Tunisia. - Abstract: The industrial cooling towers in Tunisia meet difficulties due to the poor coordination between the utility and process sectors. In this study, we will consider especially the vapor recovery of the wastewater from the industrial activity in south Tunisia. By using the heat pump for high capacity, the problem for vapor from wastewater may be resolved. The coupling for the cooling tower and the heat pump system is investigated by TRNSYS software. The system of cooling tower is also associated with a single zone which is related to heat exchangers. An optimization model for the operation of a cooling water system was developed that accounts for a cooling tower, and a network of pipelines and heat exchangers for heating a single house. This work is based on numerical studies; the cooling tower performance, the single house, the heat pump and the heat exchanger that are simulated using TRNSYS model. The circulation of cooling water system is assured by a counter flow. The evaluations of the cooling tower geometry and performances are based on an adaptive version of Merkel’s method witch integrated in TRNSYS. The results of optimization using TRNSYS are validated by several theoretical and experimental studies
Directory of Open Access Journals (Sweden)
M Pomarède
2016-09-01
Full Text Available Numerical simulation of Vortex-Induced-Vibrations (VIV of a rigid circular elastically-mounted cylinder submitted to a fluid cross-flow has been extensively studied over the past decades, both experimentally and numerically, because of its theoretical and practical interest for understanding Flow-Induced-Vibrations (FIV problems. In this context, the present article aims to expose a numerical study based on fully-coupled fluid-solid computations compared to previously published work [34], [36]. The computational procedure relies on a partitioned method ensuring the coupling between fluid and structure solvers. The fluid solver involves a moving mesh formulation for simulation of the fluid structure interface motion. Energy exchanges between fluid and solid models are ensured through convenient numerical schemes. The present study is devoted to a low Reynolds number configuration. Cylinder motion magnitude, hydrodynamic forces, oscillation frequency and fluid vortex shedding modes are investigated and the “lock-in” phenomenon is reproduced numerically. These numerical results are proposed for code validation purposes before investigating larger industrial applications such as configurations involving tube arrays under cross-flows [4].
A Coupled Finite Difference and Moving Least Squares Simulation of Violent Breaking Wave Impact
DEFF Research Database (Denmark)
Lindberg, Ole; Bingham, Harry B.; Engsig-Karup, Allan Peter
2012-01-01
feature of this model is a generalized finite point set method which is applied to the solution of the Poisson equation on an unstructured point distribution. The presented finite point set method is generalized to arbitrary order of approximation. The two models are applied to simulation of steep...
Numerical Simulations of Flow and Fuel Regression Rate Coupling in Hybrid Rocket Motors
Directory of Open Access Journals (Sweden)
Marius STOIA-DJESKA
2017-03-01
Full Text Available The hybrid propulsion offers some remarkable advantages like high safety and high specific impulse and thus it is considered a promising technology for the next generation launchers and space systems. The purpose of this work is to validate a design tool for hybrid rocket motors (HRM through numerical simulations.
Evolution of Occupant Survivability Simulation Framework Using FEM-SPH Coupling
2011-08-10
Conference (Oral only). • [5] K. Williams, et. al, “Validation of a Loading Model for Simulating Blast Mine Effects on Armoured Vehicles”, 7th...necessarily state or reflect those of the United States Government or the Department of the Army (DoA), and shall not be used for advertising or product endorsement purposes. 24
Waseda, O.; Goldenstein, H.; Silva, G. F. B. Lenz e.; Neiva, A.; Chantrenne, P.; Morthomas, J.; Perez, M.; Becquart, C. S.; Veiga, R. G. A.
2017-10-01
The thermal stability of nanocrystalline Ni due to small additions of Mo or W (up to 1 at%) was investigated in computer simulations by means of a combined Monte Carlo (MC)/molecular dynamics (MD) two-steps approach. In the first step, energy-biased on-lattice MC revealed segregation of the alloying elements to grain boundaries. However, the condition for the thermodynamic stability of these nanocrystalline Ni alloys (zero grain boundary energy) was not fulfilled. Subsequently, MD simulations were carried out for up to 0.5 μs at 1000 K. At this temperature, grain growth was hindered for minimum global concentrations of 0.5 at% W and 0.7 at% Mo, thus preserving most of the nanocrystalline structure. This is in clear contrast to a pure Ni model system, for which the transformation into a monocrystal was observed in MD simulations within 0.2 μs at the same temperature. These results suggest that grain boundary segregation of low-soluble alloying elements in low-alloyed systems can produce high-temperature metastable nanocrystalline materials. MD simulations carried out at 1200 K for 1 at% Mo/W showed significant grain boundary migration accompanied by some degree of solute diffusion, thus providing additional evidence that solute drag mostly contributed to the nanostructure stability observed at lower temperature.
Bao, Kai; Yan, Mi; Lu, Ligang; Allen, Rebecca; Salam, Amgad; Jordan, Kirk E.; Sun, Shuyu
2013-01-01
multicomponent compositional flow simulation to handle more complicated physical process in the future. Accuracy and scalability analysis are performed on an IBM BlueGene/P and on an IBM BlueGene/Q, the latest IBM supercomputer. Results show good accuracy of our
A Coupled VOF-Eulerian Multiphase CFD Model to Simulate Breaking Wave Impacts on Offshore Structures
DEFF Research Database (Denmark)
Tomaselli, Pietro; Christensen, Erik Damgaard
2016-01-01
Breaking wave-induced loads on offshore structures can be extremely severe. The air entrainment mechanism during the breaking process plays a not well-known role in the exerted forces. This paper present a CFD solver, developed in the Open-FOAM environment, capable of simulating the wave breaking...
García-Barberena, Javier; Mutuberria, Amaia; Palacin, Luis G.; Sanz, Javier L.; Pereira, Daniel; Bernardos, Ana; Sanchez, Marcelino; Rocha, Alberto R.
2017-06-01
The National Renewable Energy Centre of Spain, CENER, and the Technology & Innovation area of ACS Cobra, as a result of their long term expertise in the CSP field, have developed a high-quality and high level of detail optical and thermal simulation software for the accurate evaluation of Molten Salts Solar Towers. The main purpose of this software is to make a step forward in the state-of-the-art of the Solar Towers simulation programs. Generally, these programs deal with the most critical systems of such plants, i.e. the solar field and the receiver, on an independent basis. Therefore, these programs typically neglect relevant aspects in the operation of the plant as heliostat aiming strategies, solar flux shapes onto the receiver, material physical and operational limitations, transient processes as preheating and secure cloud passing operating modes, and more. The modelling approach implemented in the developed program consists on effectively coupling detailed optical simulations of the heliostat field with also detailed and full-transient thermal simulations of the molten salts tube-based external receiver. The optical model is based on an accurate Monte Carlo ray-tracing method which solves the complete solar field by simulating each of the heliostats at once according to their specific layout in the field. In the thermal side, the tube-based cylindrical external receiver of a Molten Salts Solar Tower is modelled assuming one representative tube per panel, and implementing the specific connection layout of the panels as well as the internal receiver pipes. Each tube is longitudinally discretized and the transient energy and mass balances in the temperature dependent molten salts and steel tube models are solved. For this, a one dimensional radial heat transfer model based is used. The thermal model is completed with a detailed control and operation strategy module, able to represent the appropriate operation of the plant. An integration framework has been
Numerical Coupling and Simulation of Point-Mass System with the Turbulent Fluid Flow
Gao, Zheng
A computational framework that combines the Eulerian description of the turbulence field with a Lagrangian point-mass ensemble is proposed in this dissertation. Depending on the Reynolds number, the turbulence field is simulated using Direct Numerical Simulation (DNS) or eddy viscosity model. In the meanwhile, the particle system, such as spring-mass system and cloud droplets, are modeled using the ordinary differential system, which is stiff and hence poses a challenge to the stability of the entire system. This computational framework is applied to the numerical study of parachute deceleration and cloud microphysics. These two distinct problems can be uniformly modeled with Partial Differential Equations (PDEs) and Ordinary Differential Equations (ODEs), and numerically solved in the same framework. For the parachute simulation, a novel porosity model is proposed to simulate the porous effects of the parachute canopy. This model is easy to implement with the projection method and is able to reproduce Darcy's law observed in the experiment. Moreover, the impacts of using different versions of k-epsilon turbulence model in the parachute simulation have been investigated and conclude that the standard and Re-Normalisation Group (RNG) model may overestimate the turbulence effects when Reynolds number is small while the Realizable model has a consistent performance with both large and small Reynolds number. For another application, cloud microphysics, the cloud entrainment-mixing problem is studied in the same numerical framework. Three sets of DNS are carried out with both decaying and forced turbulence. The numerical result suggests a new way parameterize the cloud mixing degree using the dynamical measures. The numerical experiments also verify the negative relationship between the droplets number concentration and the vorticity field. The results imply that the gravity has fewer impacts on the forced turbulence than the decaying turbulence. In summary, the
Three dimensional neutronic/thermal-hydraulic coupled simulation of MSR in transient state condition
International Nuclear Information System (INIS)
Zhou, Jianjun; Zhang, Daling; Qiu, Suizheng; Su, Guanghui; Tian, Wenxi; Wu, Yingwei
2015-01-01
Highlights: • Developed a three dimensional neutronic/thermal-hydraulic coupled transient analysis code for MSR. • Investigated the neutron distribution and thermal-hydraulic characters of the core under transient condition. • Analyzed three different transient conditions of inlet temperature drop, reactivity jump and pump coastdown. - Abstract: MSR (molten salt reactor) use liquid molten salt as coolant and fuel solvent, which was the only one liquid reactor of six Generation IV reactor types. As a liquid reactor the physical property of reactor was significantly influenced by fuel salt flow and the conventional analysis methods applied in solid fuel reactors are not applicable for this type of reactors. The present work developed a three dimensional neutronic/thermal-hydraulic coupled code investigated the neutronics and thermo-hydraulics characteristics of the core in transient condition based on neutron diffusion theory and numerical heat transfer. The code consists of two group neutron diffusion equations for fast and thermal neutron fluxes and six group balance equations for delayed neutron precursors. The code was separately validated by neutron benchmark and flow and heat transfer benchmark. Three different transient conditions was analyzed with inlet temperature drop, reactivity jump and pump coastdown. The results provide some valuable information in design and research this kind of reactor
Three dimensional neutronic/thermal-hydraulic coupled simulation of MSR in transient state condition
Energy Technology Data Exchange (ETDEWEB)
Zhou, Jianjun [School of Nuclear Science and Technology, Xi’an Jiaotong University, Xianning Road, 28, Xi’an 710049, Shaanxi (China); College of Mechanical and Power Engineering, China Three Gorges University, No 8, Daxue road, Yichang, Hubei 443002 (China); Zhang, Daling, E-mail: dlzhang@mail.xjtu.edu.cn [School of Nuclear Science and Technology, Xi’an Jiaotong University, Xianning Road, 28, Xi’an 710049, Shaanxi (China); Qiu, Suizheng; Su, Guanghui; Tian, Wenxi; Wu, Yingwei [School of Nuclear Science and Technology, Xi’an Jiaotong University, Xianning Road, 28, Xi’an 710049, Shaanxi (China)
2015-02-15
Highlights: • Developed a three dimensional neutronic/thermal-hydraulic coupled transient analysis code for MSR. • Investigated the neutron distribution and thermal-hydraulic characters of the core under transient condition. • Analyzed three different transient conditions of inlet temperature drop, reactivity jump and pump coastdown. - Abstract: MSR (molten salt reactor) use liquid molten salt as coolant and fuel solvent, which was the only one liquid reactor of six Generation IV reactor types. As a liquid reactor the physical property of reactor was significantly influenced by fuel salt flow and the conventional analysis methods applied in solid fuel reactors are not applicable for this type of reactors. The present work developed a three dimensional neutronic/thermal-hydraulic coupled code investigated the neutronics and thermo-hydraulics characteristics of the core in transient condition based on neutron diffusion theory and numerical heat transfer. The code consists of two group neutron diffusion equations for fast and thermal neutron fluxes and six group balance equations for delayed neutron precursors. The code was separately validated by neutron benchmark and flow and heat transfer benchmark. Three different transient conditions was analyzed with inlet temperature drop, reactivity jump and pump coastdown. The results provide some valuable information in design and research this kind of reactor.
Coupled slow and fast surface dynamics in an electrocatalytic oscillator: Model and simulations
International Nuclear Information System (INIS)
Nascimento, Melke A.; Nagao, Raphael; Eiswirth, Markus; Varela, Hamilton
2014-01-01
The co-existence of disparate time scales is pervasive in many systems. In particular for surface reactions, it has been shown that the long-term evolution of the core oscillator is decisively influenced by slow surface changes, such as progressing deactivation. Here we present an in-depth numerical investigation of the coupled slow and fast surface dynamics in an electrocatalytic oscillator. The model consists of four nonlinear coupled ordinary differential equations, investigated over a wide parameter range. Besides the conventional bifurcation analysis, the system was studied by means of high-resolution period and Lyapunov diagrams. It was observed that the bifurcation diagram changes considerably as the irreversible surface poisoning evolves, and the oscillatory region shrinks. The qualitative dynamics changes accordingly and the chaotic oscillations are dramatically suppressed. Nevertheless, periodic cascades are preserved in a confined region of the resistance vs. voltage diagram. Numerical results are compared to experiments published earlier and the latter reinterpreted. Finally, the comprehensive description of the time-evolution in the period and Lyapunov diagrams suggests further experimental studies correlating the evolution of the system's dynamics with changes of the catalyst structure
Simulation of a passive house coupled with a heat pump/organic Rankine cycle reversible unit
DEFF Research Database (Denmark)
Dumont, Olivier; Carmo, Carolina; Randaxhe, François
2014-01-01
This paper presents a dynamic model of a passive house located in Denmark with a large solar absorber, a horizontal ground heat exchanger coupled with a HP/ORC unit. The HP/ORC reversible unit is a module able to work as an Organic Rankine Cycle (ORC) or as a heat pump (HP). There are 3 possible ...... presents a higher global COP because the heat produced on the roof can heat the storage directly.......This paper presents a dynamic model of a passive house located in Denmark with a large solar absorber, a horizontal ground heat exchanger coupled with a HP/ORC unit. The HP/ORC reversible unit is a module able to work as an Organic Rankine Cycle (ORC) or as a heat pump (HP). There are 3 possible...... modes that need to be chosen optimally depending on the weather conditions, the heat demand and the temperature level of the storage. The ORC mode is activated, as long as the heat demand of the house is covered by the storage to produce electricity based upon the heat generated by the solar roof...