Usage of a reconfigurable computer to simulate multiparticle systems

Fragner, H

doi:10.1016/j.cpc.2006.11.005

Cited by 5 publications

(8 citation statements)

References 11 publications

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“…For instance, at melting the chemical potential of a hard-sphere crystal with vacancies roughly differs by as little as 10 −3 k B T from that of a defect-free crystal for which N c = N [3]. Interestingly, the situation is dramatically different in "cluster crystals" [4,5,6,7,8,9]. These unusual crystalline materials can have a number of particles per lattice site much larger than one.…”

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confidence: 99%

“…Interestingly, the situation is dramatically different for systems that form hypercrystals, such as certain liquid crystal phases [4], quantum Hall effect bubble solids [5,6], or, as in this Letter, ''cluster crystals'' [7][8][9][10][11][12]. These unusual crystalline materials can have a number of particles per lattice site much larger than 1.…”

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confidence: 99%

“…For convenience, we set them to unity and consider only reduced units from this point forward. For n > 2, this system is known to form cluster solids at high densities [7,8,11,16]. Its phase diagram is known qualitatively, but not quantitatively: at high T, the fluid first freezes into a multiply-occupied bcc phase that transforms into a multiply-occupied fcc phase at higher densities.…”

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confidence: 99%

“…This is probably due to finite-size artefacts in Refs. [10,11]. A crucial test of the accuracy of DFT is the prediction of the location of the bcc-fcc transition.…”

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confidence: 99%

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Phase Coexistence of Cluster Crystals: Beyond the Gibbs Phase Rule

2007

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We report a study of the phase behavior of multiple-occupancy crystals through simulation. We argue that in order to reproduce the equilibrium behavior of such crystals, it is essential to treat the number of lattice sites as a constraining thermodynamic variable. The resulting free-energy calculations thus differ considerably from schemes used for single-occupancy lattices. Using our approach, we obtain the phase diagram and the bulk modulus for a generalized exponential model that forms cluster crystals at high densities. We compare the simulation results with existing theoretical predictions. We also identify two types of density fluctuations that can lead to two sound modes and evaluate the corresponding elastic constants.

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confidence: 99%

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confidence: 99%

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confidence: 99%

“…This is probably due to finite-size artefacts in Refs. [10,11]. A crucial test of the accuracy of DFT is the prediction of the location of the bcc-fcc transition.…”

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confidence: 99%

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Phase Coexistence of Cluster Crystals: Beyond the Gibbs Phase Rule

2007

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“…Due to these reasons there is a growing interest in converting existing computationally intensive algorithms such as Fast Fourier Transforms and Monte Carlo simulations into FPGA based implementations [10][11][12][13][14][15] . In this work, the development of a DLA algorithm on a two-dimensional lattice, implemented in a development board based on a Xilinx Spartan 3 FPGA is described.…”

Section: December 2010mentioning

confidence: 99%

Simulation of diffusion limited aggregation in field programmable gate arrays

Wijesinghe

Jayananda²,

Sonnadara

2010

J. Natn. Sci. Foundation Sri Lanka

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This paper presents design considerations and performance in implementation of Diffusion-limited aggregation (DLA) process on a Xilinx Spartan 3 field programmable gate array (FPGA). The DLA cluster algorithm was implemented as a block RAM and two 32-bit Linear Feedback Shift Register random number generators in hardware. The complete design, written in VHDL and synthesized using Xilinx WebPACK 7.2 was downloaded to the Spartan 3 device for speed measurements. A 300% speed improvement compared to a software based implementation of the same algorithm was observed when the design was tested in a XC3S1000 FPGA operated with a 100 MHz clock.

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Clustering in the Absence of Attractions: Density Functional Theory and Computer Simulations

et al. 2007

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We numerically investigate the formation of stable clusters of overlapping particles in certain systems interacting via purely repulsive, bounded pair potentials. In close vicinity of a first-order phase transition between a disordered and an ordered structure, clusters are encountered already in the fluid phase which then freeze into crystals with multiply occupied lattice sites. These hyper-crystals are characterized by a number of remarkable features that are in clear contradiction to our experience with harshly repulsive systems: upon compression, the lattice constant remains invariant, leading to a concomitant linear growth in the cluster population with density; further, the freezing and melting lines are to high accuracy linear in the density-temperature plane, and the conventional indicator that announces freezing, that is, the Hansen-Verlet value of the first peak of the structure factor, attains for these soft systems much higher values than for their hard-matter counterparts. Our investigations are based on the generalized exponential model of index 4 (i.e., Phi(r) approximately exp[-(r/sigma)4]). The properties of the phases involved are calculated via liquid state theory and classical density functional theory. Monte Carlo simulations for selected states confirm the theoretical results for the structural and thermodynamic properties of the system. These numerical data, in turn, fully corroborate an approximate theoretical framework that was recently put forward to explain the clustering phenomenon for systems of this kind (Likos, C. N.; Mladek, B. M.; Gottwald, D.; Kahl, G. J. Chem. Phys. 2007, 126, 224502).

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Usage of a reconfigurable computer to simulate multiparticle systems

Cited by 5 publications

References 11 publications

Phase Coexistence of Cluster Crystals: Beyond the Gibbs Phase Rule

Phase Coexistence of Cluster Crystals: Beyond the Gibbs Phase Rule

Simulation of diffusion limited aggregation in field programmable gate arrays

Clustering in the Absence of Attractions: Density Functional Theory and Computer Simulations

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