## Papers:

### A Novel Grid Adaptation Procedure for Stationary 2D Device Simulation

A novel anisotropic grid adaptation procedure for the stationary 2D drift-diffusion model in semiconductor device simulation is presented. The adaptation approach is based on the principle of equidistributing local dissipation rate errors and suitable for [...]

### Fast Methods for Biomolecule Charge Optimization

Bardhan J.P., Lee J-H., Kuo S.S., Altman M.D., Tidor B., White J.K.,

*Massachusetts Institute of Technology, US*We report a Hessian-implicit optimization method for linearly constrained quadratic programs. Our research focuses on the energetics of protein-protein interactions, and this method was developed to quickly solve the charge optimization problem: given a ligand [...]

### Nonlinear Dynamical Aspects of Atomic Scale Friction

This work presents a detailed computational and analytical investigation of Tomlinsons model for atomic scale dry friction [1]. The model (Figure 1) describes a prototypical mechanism of energy dissipation from an atom dragged across a [...]

### Evolving Molecular Force Field Parameters for Si and Ge

A genetic algorithm (GA) has been developed to fit parameters for multi-species reactive inter-atomic force field functions. While GA has successfully parameterized force fields in the past [Hunger, Beyreuther, Huttner, Allinger, Radelof, Zsolnai (1998), Hunger, [...]

### A Numerical Model of Viscoelastic Flows in Microchannels

We present a numerical method to model non-Newtonian, viscoelastic flow at the microscale. The equations of motion are the incompressible Navier-Stokes equations coupled with the Oldroyd-B constitutive equation. This constitutive equation is chosen to model [...]

### Coarse-Grained Molecular Dynamics for Nano-Design

The design of nanoscale mechanical systems poses a novel set of challenges for modeling and simulation. The need for an accurate model of the nanoscale components is clear. This can be of the form of [...]

### Converging Technologies (NBIC)

The convergence of nanotechnology, biotechnology, information technology and cognitive science can greatly improve human performance over the next ten to twenty years. The chief areas of application include: expanding human cognition and communication, improving human [...]

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

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 [...]

### Convergence Acceleration Techniques

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 [...]

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

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, [...]

### Proper Orthogonal Modes for Macromodel Generation for Complex MEMS Devices

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 [...]

### 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 [...]

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

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 [...]

### Fast, Accurate Molecular Dynamics Simulations for Surfaces and Membranes

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 [...]

### 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 [...]

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

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 [...]

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

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 [...]

### Study of Misaligned Lateral Combdrive Static Actuators

In-plane combdrive misalignments are studied using developed analytical and numerical (FEA) models and techniques. Issues of decreasing precision and stability are discussed. The analytical models are closed form and can be used by designers of [...]

### Advanced Modelling Technique for Microscale Heat Transfer Analysis : Application to the flexible printed circuit microconnectors

The paper presents an advanced modelling technique of 3D multi-scale heat conduction problem for the thermal analysis of microsystems and especially flexible printed circuit microconnectors (FPC). Nowadays, more and more applications in automotive and aerospace [...]

### A Fully Coulpled Computational Model of the Silylation Process

This paper describes a fully coupled computational model of the positive tone silylation process. The model is two-dimensional and transient and focuses on the part of the lithography process in which crosslinked and uncrosslinked resist [...]

### Krylov-Subspace-Based Order Reduction Methods Applied to Generate Compact Thermo-Electric Models for MEMS

Bechtold T., Salimbahrami B., Rudnyi E.B., Lohmann B., Korvink J.G.,

*IMTEK, University of Freiburg, DE*A high power dissipation density in todays miniature electronic/mechanical systems makes on-chip thermal management very important. In order to achieve quick to evaluate, yet accurate thermo-electric models, needed for the thermal management of microsystems, a [...]

Journal: TechConnect Briefs

Volume: 2, Technical Proceedings of the 2003 Nanotechnology Conference and Trade Show, Volume 2

Published: February 23, 2003

Industry sectors: Advanced Materials & Manufacturing | Sensors, MEMS, Electronics

Topic: Informatics, Modeling & Simulation

ISBN: 0-9728422-1-7