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6th IEEE International Symposium on Cluster Computing and the Grid, 2006. CCGRID 06

作者： Foo, G.M. Liangzhu, Feng Hien, Vuong Thi Minh Supercomputing and Visualization Unit National University of Singapore Singapore

ISBN: (纸本)0769525857

At the National University of Singapore, many departments have compute resources that are not well utilized all the time. To improve utilization and enable resource sharing among the departments, a computational grid test bed was developed. Called NUSgrid, the test bed creates a virtualized pool of computing resources larger than that available at any one location. This enables the University research community to access a greater number of compute resources for their research needs. Access to the grid is made easy and convenient through a friendly web interface. In this paper, some design and implementation issues are discussed. © 2006 IEEE.

关键词： Parallel processing systems

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Characteristics of driven polymer surfaces: Growth and roughness

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Physical Review E 2000年第2期61卷 1793-1793页

作者： Grace M. Foo R. B. Pandey Supercomputing and Visualization Unit Computer Center National University of Singapore Singapore 119260 Department of Physics and Astronomy University of Southern Mississippi Hattiesburg Mississippi 39406-5046

Using a Monte Carlo simulation, the growth and roughness characteristics of polymer surfaces are studied in 2+1 dimensions. Kink-jump and reptation dynamics are used to move polymer chains under a driving field where they deposit onto an impenetrable attractive wall. Effects of field (E), chain length (Lc), and the substrate size (L) on the growing surfaces are studied. In low field, the interface width (W) shows a crossover from one power-law growth in time (W∼tβ1) to another (W∼tβ2), before reaching its asymptotic value (Ws), with β1(∼0.5±0.1)<β2(∼0.6−1.0). For short chain lengths (Lc=4), the saturated width (Ws) is independent of the substrate length (L), while for long chain lengths, Ws decays with L before becoming independent at large L. Ws depends strongly on the magnitude of the field: for short chains, Ws∼E−δ with δ≃0.4, while for long chains, it varies nonmonotonically with E.

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Characteristics of driven polymer surfaces: Growth and roughness

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Physical Review E - Statistical, Nonlinear, and Soft Matter Physics 2000年第2期61卷 1793-1799页

作者： Foo, Grace M. Pandey, R.B. Supercomputing and Visualization Unit Computer Center National University of Singapore Singapore119260 Singapore Department of Physics and Astronomy University of Southern Mississippi HattiesburgMS39406-5046 United States

Using a Monte Carlo simulation, the growth and roughness characteristics of polymer surfaces are studied in 2 + 1 dimensions. Kink-jump and reptation dynamics are used to move polymer chains under a driving field where they deposit onto an impenetrable attractive wall. Effects of field (E), chain length (Lc), and the substrate size (L) on the growing surfaces are studied. In low field, the interface width (W) shows a crossover from one power-law growth in time (W∼tβ1) to another (W∼tβ2), before reaching its asymptotic value (Ws), with β1(∼0.5±0.1) 2(∼0.6-1.0). For short chain lengths (Lc = 4), the saturated width (Ws) is independent of the substrate length (L), while for long chain lengths, Ws decays with L before becoming independent at large L. Ws depends strongly on the magnitude of the field: for short chains, Ws∼E-δ with δ0.4, while for long chains, it varies nonmonotonically with E. ©2000 The American Physical Society.

关键词： Chain length

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Electrophoretic Deposition of Polymer Chains on an Adsorbing Surface in (2+1) Dimensions: Conformational Anisotropy and Nonuniversal Coverage

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Physical Review Letters 1998年第17期80卷 3767-3767页

Electrophoretic deposition of polymer chains flowing in a (2+1)-dimensional system is studied by computer simulations. Steady-state surface coverage (θj) is found to decay with the chain's length, i.e., θj∼Lc−α with a nonuniversal exponent α≃0.0–0.9 depending on the magnitude of driving field and temperature. Conformational crossover occurs for chains from a surface or wall to an adjacent bulk region with different scaling exponents for their longitudinal and transverse spread.

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Discrete-to-continuum simulation approach to polymer chain systems: Subdiffusion, segregation, and chain folding

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Physical Review E 1998年第5期57卷 5802-5802页

作者： Grace M. Foo R. B. Pandey Supercomputing and Visualization Unit Computer Center National University of Singapore 119260 Singapore Department of Physics and Astronomy University of Southern Mississippi Hattiesburg Mississippi 39406-5046

A discrete-to-continuum approach is introduced to study the static and dynamic properties of polymer chain systems with a bead-spring chain model in two dimensions. A finitely extensible nonlinear elastic potential is used for the bond between the consecutive beads with the Lennard-Jones (LJ) potential with smaller (Rc=21/6σ=0.95) and larger (Rc=2.5σ=2.1) values of the upper cutoff for the nonbonding interaction among the neighboring beads. We find that chains segregate at temperature T=1.0 with Rc=2.1 and remain desegregated with Rc=0.95. At low temperature (T=0.2), chains become folded, in a ribbonlike conformation, unlike random and self-avoiding walk conformations at T=1.0. The power-law dependence of the rms displacements of the center of mass (Rc.m.) of the chains and their center node (Rcn) with time are nonuniversal, with the range of exponents ν1≃0.45−0.25 and ν2≃0.30−0.10, respectively. Both radius of gyration (Rg) and average bond length (〈l〉) decrease on increasing the range of interaction (Rc), consistent with the extended state in good solvent to collapsed state in poor solvent description of the polymer chains. Analysis of the radial distribution function supports these observations.

关键词： Polymers

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Nonuniversal Scaling and Conformational Crossover of Polymer Chains in an Electrophoretic Deposition

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Physical Review Letters 1997年第15期79卷 2903-2903页

作者： Grace M. Foo R. B. Pandey Supercomputing and Visualization Unit National University of Singapore Singapore 119260 Department of Physics and Astronomy Program in Scientific Computing University of Southern Mississippi Hattiesburg Mississippi 39406-5046

A computer simulation model of electrodeposition of polymer chains on an impenetrable wall is used to evaluate the power-law scaling exponents ( νx(y)) for the longitudinal and transverse spread, Rgx(y)∼Lcνx(y); we find that the exponents νx(y) depend on the field strength, i.e., they are nonuniversal. A conformational crossover is observed for the transverse spread from the bulk with νy≃1/3–2/3 to the wall with νy≃2/3–1. A similar crossover also occurs for the longitudinal component of Rg but with an opposite trend, i.e., magnitude of νx is larger in bulk than at the wall.

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Crossover Dynamics for Polymer Simulation in Porous Media

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Physical Review Letters 1997年第12期79卷 2356-2356页

作者： V. Yamakov D. Stauffer A. Milchev G. M. Foo R. B. Pandey Department of Physics and Astronomy University of Southern Mississippi Hattiesburg Mississippi 39406-5046 Institute for Theoretical Physics Cologne University 50923 Köln Germany Supercomputing and Visualization Unit National University of Singapore Singapore 119620

Off-lattice Monte Carlo simulations show anomalous diffusion at intermediate times without a clear Rouse regime, for the motion of chains through a random porous medium.

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Conformation of interacting polymer chains: Effects of temperature, bias, polymer concentration, and porosity

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Physical Review E 1997年第4期55卷 4433-4433页

作者： Grace M. Foo R. B. Pandey Program in Scientific Computing University of Southern Mississippi Hattiesburg Mississippi 39406-5046 Supercomputing and Visualization Unit Computer Center National University of Singapore 119260 Singapore Department of Physics and Astronomy University of Southern Mississippi Hattiesburg Mississippi 39406-5046

The conformations of interacting polymer chains driven by a biased field in heterogeneous media are studied using Monte Carlo simulations in three dimensions. In addition to excluded volume, a nearest-neighbor interaction is considered with polymer-polymer repulsion and polymer-solvent attraction. Two types of heterogeneous media are considered: (i) a homogeneous-annealed system consisting of mobile polymer chains and solvents and (ii) quenched porous media, generated by adding a random distribution of quenched barriers. Effects of polymer concentration (p), bias (B), temperature (T), and porosity (ps) on the magnitude of the radius of gyration (Rg) of the chains and its scaling with the chain length (Lc) are studied. In an annealed system, we observe a crossover in power-law variation of the radius of gyration with the chain length, Rg∼Lcγ, from an extended conformation with γ≃0.7 at low bias (B=0.2), low p, and high T to a collapsed conformation with γ∼0.20-0.31 at high bias (B⩾0.5) and low T. In a quenched porous medium, we observe a somewhat lower value of the power-law exponent, γ∼0.60-0.70, from its annealed value at high T and low bias. At low temperatures, in contrast, the magnitude of γ∼0.39-0.47 is enhanced with respect to its annealed value. Various nonlinear responses of Rg to bias are observed in different ranges of B, Lc, ps, and T. In particular, we find that the response is nonmonotonic at low temperatures (T≃0.1) in the annealed system and at high temperatures (T≃100.0) in a porous medium with a relatively high barrier concentration (pb⩾0.3).

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