Parallel multigrid summation for the -body problem

Izaguirre, Jesús A.; Hampton, Scott; Matthey, Thierry

doi:10.1016/j.jpdc.2005.03.006

Cited by 35 publications

(33 citation statements)

References 55 publications

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“…169 The multi-grid approach is also a possible approach, whose sequential processing can attain roughly the same computational speed as the PME. 170 A number of attempts have been made to implement the computation of the Coulombic force, see for example Ref. 171.…”

Section: Recon¯gurable Computingmentioning

confidence: 99%

Molecular Dynamics Simulation of Iron — A Review

Chui

Liu

et al. 2015

SPIN

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Molecular dynamics (MD) is a technique of atomistic simulation which has facilitated scienti¯c discovery of interactions among particles since its advent in the late 1950s. Its merit lies in incorporating statistical mechanics to allow for examination of varying atomic con¯gurations at nite temperatures. Its contributions to materials science from modeling pure metal properties to designing nanowires is also remarkable. This review paper focuses on the progress of MD in understanding the behavior of iron -in pure metal form, in alloys, and in composite nanomaterials. It also discusses the interatomic potentials and the integration algorithms used for simulating iron in the literature. Furthermore, it reveals the current progress of MD in simulating iron by exhibiting some results in the literature. Finally, the review paper brie°y mentions the development of the hardware and software tools for such large-scale computations.

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Section: Recon¯gurable Computingmentioning

confidence: 99%

Molecular Dynamics Simulation of Iron — A Review

Chui

Liu

et al. 2015

SPIN

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“…Choose a cut-off in both real-space and reciprocal-space so that the neglected terms in the real-space and reciprocal-space parts are of the same order δ , or less. The truncation in real-space implies that a sufficient number of terms must be included in the reciprocal-space sums, Equation (28).…”

Section: Formulas For Energy and Forces In Ewald Summationmentioning

confidence: 99%

“…There is also a multitude of alternative methods for representing electrostatic interactions. Examples are methods based on a cut-off [17][18][19], tree and multipole based methods [20][21][22][23][24][25], multigrid methods [26][27][28], reaction field methods [29][30][31], the particle mesh method [32,33] and the isotropic sum method [34].…”

Section: Introductionmentioning

confidence: 99%

Non-Uniform FFT and Its Applications in Particle Simulations

Wang¹,

Hedman²,

Porcu³

et al. 2014

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“…many-body potential summations [25], for which the influence of particles is first redistributed to the nodes of a Cartesian grid. On the finest level, the Cartesian grid is related to a cut-off distance for the used interaction function.…”

Section: For Each Such Regionmentioning

confidence: 99%

“…The BBGKY approximation for which the collision term is provided in equation (8.17) results in the following expression for the pressure of dense single phase gases [24] 25) where the long range part is related to the attractive force potential V m by…”

Section: Bbgky Approximationmentioning

confidence: 99%

Dispersed droplet dynamics during produced water treatment in oil industry

Eijkeren¹

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For Lagrangian particle tracking applied to swirling flow produced water treatment the influence of the history force is investigated. In the expression for the history force an existing Reynolds number dependent kernel is adapted and validated for a range of experimental data for settling spheres. This kernel is used during the numerical simulation of oil-droplets in an idealized flow field as model for flow fields observed in swirling flow separators. It is shown that the history force should not be neglected for the motion of particles in such flows. However, for this specific type of flow it is shown that the contribution of the history force might be approximated as a drag-like expression.Subsequently, an efficient collision detection mechanism is developed to obtain collision detection with a work-load of O (N p ln N p ). The scheme is validated for settling spheres and applied to the swirling flow field used during the investigation of the influence of the history force.Finally, two approaches for the lattice Boltzmann method, taking into account the equation of state for water, are presented. One approach utilizing a pressure corrected BGK approximation, the other a dense gas BBGKY approximation. A novel approach is used to obtain the macroscopic quantities and boundary conditions. It is shown that for modeling the flow of water around a particle an ideal-gas lattice Boltzmann method to simulate water is not capable of capturing all relevant details. However, modeling the flow with both proposed approaches, which take the equation of state into account, lead to similar results.v Samenvatting Dit onderzoek gaat in op de kracht op een deeltje nodig voor een Lagrangiaanse methode voor het voorspellen van deeltjesbanen, toegepast op het behandelen van geproduceerd water met oliedeeltjes met behulp van een roterende stroming. De bijdrage in de kracht gerelateerd aan de historie van de beweging van het deeltje wordt in detail behandeld. Een bestaande kernel, afhankelijk van het Reynoldsgetal, voor de integraal in deze bijdrage in de kracht is aangepast en gevalideerd aan de hand van experimentele data voor sedimenterende bollen uit de literatuur. Deze aangepaste kernel is toegepast bij het numerieke voorspellen van banen van oliedruppels in een geïdealiseerd stromingsveld, kenmerkend voor roterende-stromingsscheiders. Dit onderzoek laat zien dat de historiekracht niet verwaarloosd kan worden bij het berekenen van de baan van deeltjes in zulke stromingen. Voor een specifiek geval wordt getoond dat deze kracht benaderd kan worden met een uitdrukking die lijkt op die van de weerstandskracht.Vervolgens gaat dit onderzoek in op een efficiënte methode om botsingen te detecteren in dergelijke numerieke berekeningen. De benodigde rekentijd van deze methode varieert als O (N p ln N p ). De methode is eerst gevalideerd voor sedimenterende bollen. Vervolgens is de methode toegepast en onderzocht in het bovengenoemde kenmerkende stromingsveld in roterende stromingsscheiders.Tenslotte worden twee methodes gepresent...

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Parallel multigrid summation for the -body problem

Cited by 35 publications

References 55 publications

Molecular Dynamics Simulation of Iron — A Review

Molecular Dynamics Simulation of Iron — A Review

Non-Uniform FFT and Its Applications in Particle Simulations

Dispersed droplet dynamics during produced water treatment in oil industry

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