Modeling and Simulation of Micro and Nano Systems

An Online Tool for Simulating Electro-Thermo-Mechanical Flexures Using Distributed and Lumped Analyses

Li F., Clark J.V., Purdue University, US

We present an online software tool that enables both novices and experts to quickly and fairly accurately model and simulate an electro-thermo-mechanical microdevice. We model and simulate a MEMS thermal actuator by coupling finite element [...]

A Parallel-plate-based Fishbone-Shape MEMS Tunable Capacitor with Linear Capacitance-Voltage Response

Shavezipur M., Nieva P., Khajepour A., Hashemi S.M., University of Waterloo, CA

Conventional designs for MEMS parallel-plate tunable capacitor suggest rectangular electrodes and linear structural stiffness which offer high Q-factor and quick responses; however, they have low tunability of 50% and nonlinear capacitance-voltage responses. This paper presents [...]

Silicon die self-alignment on a wafer: stable and instable modes

Berthier J., Grossi F., Di Cioccio L., CEA/LETI/MINATEC, FR

To create advanced Microsystems by 3D integration, die-to-wafer assembly is required to obtain fast and reliable packaging. In order to overcome the main difficulties of current techniques, self-assembly methods are promising due to their serial [...]

Effect of Nonlinear Structural Stiffness on the Response of Capacitive MEMS Devices

Shavezipur M., Nieva P., Khajepour A., Hashemi S.M., University of Waterloo, CA

In this paper, a design technique is presented that can linearize the response of MEMS capacitive elements such as tunable capacitors, capacitive sensors and out-of-plane electrostatic actuators. The method combinations the electrode flexibility and nonlinear [...]

The Quantum Confinement Effect on the Adsorption and Reaction of Aliphatic and Aromatic Hydrocarbons on ‘Nano Reactor’ ZSM-5 Zeolite: A Newly Developed Density Functional Theory (DFT) Investigation

Boekfa B., Choomwattana S., Maitarad P., Limtrakul J., Limtrakul P., Limtrakul J., Limtrakul P., Kasetsart University, TH

The quantum confinement effect on the adsorption and reaction mechanism of aliphatic and aromatic hydrocarbons on H-ZSM-5 zeolite was studied for the first time with a newly developed functional, M06L. With this well calibrated method, [...]

A Study on Numerical Analysis of Stress Distribution for Thermal Nanoimprint Lithography Process

Cho B-G, Won T., Inha University, KR

We investigated the deformation of the viscoelastic polymethyl methacrylene (PMMA) resist wherein a rigid SiO2 stamp with a rectangular line pattern is imprinted for thermal nano-imprint lithography (NIL). We calculated the stress distribution in the [...]

A Mechanistic Investigation on 1,5- to 2,6-Dimethylnaphthalene Isomerization Catalyzed by Acidic Beta Zeolite: An ONIOM Study with a Newly Developed Density Functional Theory

Kumsapaya C., Bobuatong K., Choomwattana S., Khongpracha P., Tantirungrotechai Y., Limtrakul J., Kasetsart University, TH

2,6-Dimethylnaphthalene (DMN) is the key intermediate in the synthesis of poly (ethylene naphthalate) (PEN), a high-performance polymeric material. The processes to produce 2,6-DMN have been the focus of numerous experimental investigations, yet there is no [...]

Molecular Simulation Studies for the Synthesis of Ni Nanowires in Zeolite Cancrinite

Huertas-Miranda J.A., Quiñones-Fontalvo L., Martínez-Iñesta M.M., University of Puerto Rico, US

Evaluation of the spatial distribution of Ni metal atoms inside CAN was done at two Si/ Al ratios and four Ni loadings. Using Sorption from Material Studio 4.0 (Accelrys, Inc.), Metropolis Monte Carlo simulations under [...]

Design of Silicon-based Leaky-mode Resonant Nanopatterned Devices Using Inverse Numerical Methods

Shokooh-Saremi M., Magnusson R., Suleski T.J., Johnson E.G., University of Texas at Arlington, US

We present single-layer, silicon-based resonant leaky-mode elements implemented with periodic waveguide layers. This new device class has wide applicability in photonic devices and systems. Leaky waveguide modes can be exited when an incident light beam [...]

Dehydration of Hydrous Ethanol to Ethylene over H-MOR Investigated by the ONIOM Method

Meeprasert J., Choomwattana S., Pantu P., Limtrakul J., Laboratory for Computational and Applied Chemistry, Physical Chemistry Division, TH

The conversion of ethanol to ethylene, which is one of the most important feed stocks for the petrochemical industry, is of particular commercial interest. Two mechanisms, stepwise and concerted, of the ethanol dehydration to ethylene [...]

The Theoretical Investigation of Oxidative Dehydrogenation of Ethane to Ethene over Fe-ZSM-5: a QM/MM Study

Bobuatong K., Sirijaraensre J., Khongpracha P., Pantu P., Limtrakul J., Laboratory for Computational and Applied Chemistry, Physical Chemistry Division, TH

The complete detailed reaction mechanism for the oxidative dehydrogenation of ethane over Fe-ZSM-5 zeolite has been systematically investigated by means of the ONIOM(MP2/6-31G(d,p):UFF)//ONIOM(B3LYP/6-31G(d,p):UFF) scheme. Two types of reaction mechanisms for the oxidative dehydrogenation of ethane [...]

Dynamic change in water meniscus arising from tapping of an AFM tip

Hong S.D., Choi H.J., Ha M.Y., Jang J., Pusan National University, KR

We perform a molecular dynamics simulation to emulate the retraction followed by re-approach of an AFM with respect to a surface. We found a hysteresis in the snap-off distance and energy during such a tapping [...]

DFT Calculation of interaction energies in model alanine and valine using different Basis sets

Singh J., Singh S.C., Singh J., Singh S.C., Allahabad University, IN

Alanine and valine are the most important primary amino acids and take important roles in the protein, DNA, RNA and other biological molecular synthesis. Computational approaches to solve the complex problem in material science and [...]

Comparing the Stabilities of Nanoclusters and Cluster-Based Materials: Alkali Halides and the First Row Element Compounds

Sangthong W., Bromley S.T., Illasc F., Limtrakul J., Kasetsart University, TH

The stability of (MX)12 cage clusters and cluster-based polymorphs of a large range of alkali halides and the first row element compounds (LiF, BeO, BN and C) were investigated using state-of-the-art plane wave density functional [...]

Structures and Mechanism of MOF-505 and Cu-ZSM-5 Promoted Mukaiyama Aldol Reaction: An ONIOM study

Yadnum S., Choomwattana S., Khongpracha P., Limtrakul J., Kasetsart University, TH

The reaction mechanism of Metal organic framework (MOF-505) and Cu-exchange ZSM-5 zeolite promoted Mukaiyama Aldol reaction is studied theoretically. Density-functional theory (B3LYP/6-31G(d,p)) and ONIOM (B3LYP/6-31G(d,p):UFF) have been employed to investigate the reaction of Mukaiyama aldol [...]

Computations on Encapsulations of Lanthanides into C74

Slanina Z., Nagase S., Institute for Molecular Science, JP

While the empty C74 fullerene has still not been available, various related C74-based metallofullerenes have been known and studied vigorously like Ca@C74, Sm@C74, Sr@C74, Ba@C74, La@C74, Eu@C74, Yb@C74, Sc2@C74 or Er3@C74. This contributions will deal [...]

Multiscale modeling carbon nanotube growth on a supercapacitor electrode

Vasenkov A.V., CFD Research Corporation, US

Recently, the supercapacitors utilizing Carbon Nanotubes (CNTs) were reported. Currently, the fabrication of CNT-based supercapacitors involves manipulation of CNTs that is difficult and expensive owing to tiny size of CNTs. The direct deposition of well [...]

A Multiscale Model of Micro Cantilever Arrays

Lenczner M., Pillet E., Cogan S., Hui H., FEMTO-ST, FR

Abstract:The presentation is a contribution in the area of MEMS Array modelling. In some cases, Arrayed Microsystems present coupling between their components, and their global simulation cannot be performed taking into account individual sub-systems separately. [...]

Transition from exo to endo Cu absorption in SinCu clusters: A Genetic Algorithms Density Functional Theory (DFT) Study

Oña O.B., Ferraro M.B., Facelli J.C., University of Utah, US

The characterization and prediction of the structures of metal silicon clusters is important for nanotechnology research because these clusters can be used as building blocks for nano devices. Several authors have postulated that there is [...]

Modeling of Electronic Transport in Molecular Devices

Lamba V.K., Engles D., Malik S.S., Verma M., HCTM Kaithal, IN

Abstract— In this paper a novel approach for simulating electronic transport in nanoscale structures is introduced. We consider an open quantum system (the electrons of structure) accelerated by an external electromotive force and dissipating energy [...]

Determination of Non-local Elasticity Constants for the Torsional Buckling of Single-Wall Carbon Nanotubes Using Molecular Dynamics

Khademolhosseini F., Rajapakse R.K.N.D., Nojeh A., University of British Columbia, CA

Recently, devices have been developed which use Carbon Nanotubes (CNTs) as torsional spring elements. In order to define the range of applicability of CNTs in such devices, it is important to fully understand their torsional [...]

Finite Element Method and Genetic Algorithm for Analysis MEMS

Ortiz V.H., Chairez I., Biochip Bubbles, MX

This paper presents an analysis of the finite element method (FEM) and genetic algorithms for the analysis of MEMS and BIOMEMS design. The finite element method is the method used for the computational analysis of [...]

Kinetic Monte Carlo Study on Carbon Trapping Effect with Pre-amorphized Silicon

Park S., Cho B., Won T., Inha University, KR

We report our kinetic Monte Carlo (kMC) study of the effect of carbon co-implant on the pre-amorphization implant (PAI) process. We employed BCA (Binary Collision Approximation) approach for the acquisition of the initial as-implant dopant [...]

Sacrificial membranes for serial valving in microsystems

Allain M., Berthier J., Basrour S., Pouteau P., CEA/LETI/MINATEC, FR

Valving is essential to microflow circuits in microsystem technology. Many different types of valves have already been designed. Membranes of sacrificial materials have been studied for one shot valving; however, the new design proposed here, [...]

A Comparison of Surface Acoustic Wave Modeling Methods

Wilson W.C., Atkinson G.M., NASA Langley Research Center, US

Surface Acoustic Wave (SAW) technology is low cost, rugged, lightweight, extremely low power and can be used to develop passive wireless sensors. For these reasons, NASA is investigating the use of SAW technology for Integrated [...]

Determination of droplet shape in digital microfluidic systems using two-dimensional flow analysis

Ahmadi A., Najjaran H., Holzman J.F., Hoorfar M., University of British Columbia Okanagan, CA

A two-dimensional model for fluid flow in a digital microfluidic system is introduced, and the results are compared to experimental data. Resistive flow effects based upon contact line forces, filler effects and shear forces are [...]

Simulation of Decrease in Lag phenomena and Current Slump of Field-Plate GaAs FETs

Itagaki K., Ueda H., Terao Y., Horio K., Shibaura Institute of Technology, JP

Two-dimensional transient analysis of field-plate GaAs MESFETs is performed in which a deep donor “EL2” and a shallow acceptor are considered in a semi-insulating substrate, and the results are compared between the two cases with [...]

Performance study of Ballistic and Quasi-Ballistic on Double-Gate MOSFETs 6T SRAM cell

Martinie S., Jaud M-A, Munteanu D., Thomas O., Le Carval G., Autran J-L, CEA/LETI/MINATEC, FR

The impact of ballistic/quasi-ballistic carrier transport on the switch of a CMOS inverter and on the noise margin of a 6T SRAM cell, both based on Double-Gate MOSFETs (DGMOS), is analysed using mixed-mode simulation. To [...]

An Analytic Terahertz Signal Detection Model of Silicon-based Nanowire Gated Field Effect Transistor

He F., Chen Y., Mu X., Lou H., Zhang L., Song Y., SZPKU, CN

In this paper, an analytical terahertz (THz) signal detection model of Silicon-based nanowire MOSFET (NWFET) is proposed. Beginning from the fundamental hydrodynamic transport equations, the expressions of the velocity spatial distribution and inversion charge transport [...]

Generic Compact Model Development of Double-Gate MOSFETs with Inclusion of Different Operation Modes and Channels from Heavily Doped to Intrinsic Case

Zhou X., Zhang J., Zhang L., Zhang J., Zhang L., Ma C., He J., Chan M., Peking University, CN

In this paper, the Double-Gate MOSFET’s operation modes such as symmetric, asymmetric and independent-gate-operation are discussed and an idea for the generic compact model development is proposed. It is shown that the presented generic model [...]