Papers – Page 932 – TechConnect Briefs

Modeling Nanosized Colloidal Particle Interactions with Brownian Dynamics Using Discrete Element Method

Li J-F, Yu W-H, Chen C-S, J. Wei W-C, National Taiwan University, TW

Discrete element method (DEM) has been developed in an integrated software system to study ceramic particle suspension and colloidal forming process recently [1, 2, 3]. Particle interactions such as van der Waals attraction, electrical double-layer [...]

A Space-time Coarse-grained Model for Particle Simulations of Soft Matter

Liew C.C., Mikami M., Research Institute for Computational Sciences (RICS), AIST, JP

We have developed a series of particle models that are consistent in phase behavior at various space-time coarse-grained levels based on three coarse-graining procedures: Grouping (Gp) for monomer or segment of molecules, Packing (Pk) for [...]

System Identification for Motion of Proteins Using an AFM-based Nanorobotic Manipulation

Park J., Kim B-K., Kim D-H., Kim B-K., Kim D-H., Lee K-I., Korea Institute of Science and Technology, KR

It is greatly important to understand the mechanics of AFM-based nanorobotic manipulation for efficient and reliable handling of nanoparticles. Robust motion control of an AFM-based nanorobotic manipulation is much challenging due to uncertain mechanics in [...]

Fast, Accurate Molecular Dynamics Simulations for Surfaces and Membranes

Kawata M., Nagashima U., National Institute of Advanced Industrial Science and Technology, JP

We have developed new fast method for calculating the accurate Coulomb interactions for quasi-2D systems and implemented in the MD calculations. We present the details of the computational steps to implement the 2D-PME method, focusing [...]

A Multiscale Meshfree Method for the Mechanical Analysis of Low Dimensional Nanostructures

Qian D., Liu W.K., University of Cincinnati, US

A new multiscale meshfree approach for the mechanical analysis of low dimensional nanostructures is proposed, with the objective that both computational efficiency and accuracy can be achieved for systems involving large number of atoms or [...]

A Neural-Network-Based-Method on Speed Control of Ultrasonic Motors

Liang Y.C., Shi X.H., Lee H.P., Lee K.H., Lin W.Z., Xu X., Lim S.P., Lee H.P., Lee K.H., Jilin University, CN

An improved Elman network models, output-input feedback (OIF) Elman networks is proposed based on the modified Elman network. A neural-network-based iteration control system (NNICS)) is developed by using the OIF Elman network as a passageway [...]

Proper Orthogonal Modes for Macromodel Generation for Complex MEMS Devices

Lin W.Z., Lee K.H., Lim S.P., Institute of High Performance Computing, SG

In this paper, a novel method for macromodel generation for the dynamic analysis of structurally complex MEMS devices is developed by making use of proper orthogonal decomposition (POD) and classical component mode synthesis (CMS). The [...]

Calculation of Shock Waves and Temperatures of FCC Single Crystals (Nickel) using Large-Scale Molecular Dynamics

Kum O., Clemson University, US

Multimillion-atom molecular dynamics simulations using double-SPMD (SPSPMD) have been applied to calculate fcc single crystal, Nickel, shock wave and temperature profiles on a CrayT3E. Three well known model potentials, analytical EAM, Morse type simple pair, [...]

Convergence Acceleration Techniques

Jentschura U.D., Aksenov S.V., Mohr P.J., Savageau M.A., Soff G., Universität Freiburg, DE

This work describes numerical methods which are useful in many areas: examples include statistical modelling (bioinformatics, computational biology), theoretical physics, and even pure mathematics. The methods are primarily useful for the acceleration of slowly convergent [...]

ABC: A double-conversion compiler/solver for nanoscopic calculus

Kulik I.O., Bilkent University, TR

The progress and demand of nanoscience, nanotechnology and molecular electronics is ultimately related to the progress and the perspectives of computational science. We report on the development of a new computing device which was termed [...]