Papers:
Effect of Electronic and Optical Properties of Quantum Dots on Hydrogenation of
Functionalization of silicon surfaces at the nanoclusters size is a crucial step that can give a great opportunity to use them in an enormous range of applications, including optical sensing, biological fluorescence imaging and optoelectronic [...]
Electron transition energies of single-walled carbon nanotubes: Hartree – Fock’s CNDOL approaches for describing excitations and related properties
Montero A.L., Montero L.A., Fuentes M.E., Menéndez E., Orellana W., Bunge C., Montero A.L., Montero L.A., García de la Vega J.M., Universidad de La Habana, CU
Electronic properties of two kinds of zig-zag (13,0) and (9,0) single walled carbon nanotubes (SWCNT) are studied using both Density Functional Theory (DFT) and an approximate Hartree-Fock (HF) named as Complete Neglect of Differential Overlap [...]
MD boundary conditions for pressure gradient flows: nano-mixing, and nano-droplet deformation in extensional flows
We develop new non-periodic boundary conditions in molecular dynamics (MD) simulations, applied to inlets and outlets of nanochannel flow problems. We demonstrate Poiseuille-type flow simulations for two applications in relatively complex geometries: a mixing channel [...]
Novel first-principle simulations of 3D atomistic structure
Modeling approaches in computational electronics have become increasingly driven by the need of more fundamental and comprehensive understanding of the nanoscale physics of system only through knowledge of the constituent atoms. First principle calculation, which [...]
Designing universal oligonucleotides for DNA/nanoparticle conjugates
As DNA sequences originating from different species are highly specific, it is a challenge to design “universal” DNA/nanoparticle conjugates that are able to hybridize to each member of a set of nucleotide sequences. Possible applications [...]
A Sparse Grid based Collocation Method for Model Order Reduction of Finite Element Models of MEMS under Uncertainty
A methodology is proposed for the model order reduction of finite element models of MEMS devices under random input conditions. In this approach, the reduced order system matrices are represented in terms of their convergent [...]
Calibration and Validation Procedure for Reliable and Predictive High-level Transducer Models Suited for System-level Design
We present an elaborated parameter extraction and model validation procedure for high-level transducer models that are aimed for system-level design as well as for hardware-software co-simulation (Matlab/Simulink transducer model embedded in control circuitry) in order [...]
An Online Electrostatics Modeling Tool for Microdevices with Dirichlet Boundary Conditions by Schwarz-Christoffel Mapping
We present an online software tool that quickly and accurately models and simulates the electrostatic properties, such as capacitance, charge distribution, and electrostatic force, of microdevices in 2.5D domain with Dirichlet boundary conditions by using [...]
Dynamic Compact Thermal Model of an Electrothermal Micromirror Based on Transmission Line Theory
The two main challenges in electrothermal MEMS design are their slow response and inherently low efficiency. Therefore, thermal modeling is essential for design and optimization. A compact parametric model is desirable as it computationally efficient [...]
Passive Temperature-Compensation of MEM Resonators
Rottenberg X., Jansen R., Stoffels S., De Coster J., De Raedt W., De Coster J., De Raedt W., Tilmans H.A.C., IMEC, BE
MEM-resonators are recognized key components for future sensing, wireless and communications applications. Si-based resonators have gained special interest since they offer the perspective to replace bulky quartz resonators on-chip, maintaining high Q-factor and reaching high [...]
Improved Modeling of the Comb Drive Levitation Effect
Lumped comb drive models found in the literature ignore the electrostatic levitation effect, which decreases their accuracy. The levitation effect occurs when the substrate is within close proximity to the comb drive. This common configuration [...]
Finite Element Modeling and Analysis of CMOS-SAW Sensors
Finite element (FE) modeling and performance analysis of Surface Acoustic Wave (SAW) devices that are developed in CMOS (Complementary Metal Oxide Semiconductor) technology are presented. CMOS-SAW devices were designed, fabricated and characterized as a biosensor [...]
Modeling study of capacitance and gate current in strained High–K Metal gate technology: impact of Si/SiO2/HK interfacial layer and band structure model
Garetto D., Rideau D., Dornel E., Clark W.F., Tavernier C., Leblebici Y., Schmid A., Jaouen H., IBM France, FR
The importance of developing predictive modeling tools has considerably increased with the diffusion of nanoscale technologies, in which strained layers and heterojunctions determine the materials modeling complexity. A self--consistent Poisson--Schroedinger solver based on a full-band [...]
Polymer Simulation in a Microfluidic Entropic Trap
We have developed a novel algorithm for the simulation of polymer-laden flows in microfluidic devices. Our algorithm is based on a hybridization of high order accurate continuum and particle methods. The continuum method provides the [...]
Computer Simulations of CrO2 as a Spin Polarized Material for Spintronics
Despite theoretical predictions of chromium dioxide being a half-metallic ferromagnet. Devices based on chromium dioxide have performed poorly. One major issue is the influence of defects on the electronic structure and magnetic properties as well [...]
Comparing the Effect of 2nd Row Dopants on the Carbon Support to improve Pt Catalytic Activity and Durability
Groves M.N., Chan A.S.W., Malardier-Jugroot C., Jugroot M., Malardier-Jugroot C., Royal Military College of Canada, CA
This work outlines improvements to the Pt catalyst durability and activity by modifying the carbon catalyst support for use in the proton exchange membrane fuel cell. Computational methods have shown that nitrogen and boron dopants [...]
Simulation and Experiment on 2PC Transmitted Diffraction Grating for GaN LEDs
To test 2PC structures by experiment, we affixed 2PC structures onto a hemicylinder of polydimethylsiloxane (PDMS) and placed the sample on a rotating stage with a green laser beam (λ=532nm) incident on the grating structure. [...]