Informatics, Modeling & Simulation – Page 56

Kinetic Monte Carlo Modeling of Boron Diffusion in Si Crystalline Materials

Seo J., Hwang C-O, Kwon O., Kim K., Won T., School of Engineering, Inha University, KR

In this paper, we report a lattice-free kinetic Monte Carlo (KMC) result of boron diffusion at low temperatures 450o and 550o with vacancy + interstitialcy mechanism or vacancy + kick-out one with dilute self-interstitials (I) [...]

2D Quantum Mechanical Device Modeling and Simulation: Single and Multi-fin FinFET

Kim K., Kwon O., Seo J., Won T., Inha University, KR

A two-dimensional quantum mechanical modeling has been performed to simulate a nano-scale FinFET by obtaining the self-consistent solution of coupled Poisson and Schrödinger equations. Calculated current-voltage (I-V) curves are carefully compared with experimental data to [...]

Molecular Dynamics (MD) Calculation on Ion Implantation Process with Dynamic Annealing for Ultra-shallow Junction Formation

Kwon O., Kim K., Seo J., Won T., Inha University, KR

In this paper, we report a molecular dynamics (MD) simulation of the ion implantation for nano-scale devices with ultra-shallow junctions. In order to model the profile of ion distribution in nanometer scale, the molecular dynamics [...]

Numerical Simulation of Electronic Properties in Quantum Dot Hheterostructures

Vlahovic B., Filikhin I., Suslov V.M., Wang K., North Carolina Central University, US

Because of the strong dependence of energy level on the geometry and sizes, the quantum dots are perfect candidates as high efficiency photovoltaic solar cells. Efficiency of 63.2% solar cell has been predicted by theoretical [...]

Design and Development of Nano-reinforced Bonds and Interfaces

Sun Y., Meguid S.A., Liew K.M., Ong L.S., University of Toronto, CA

This investigation focuses on the design and development of nano-reinforced adhesively-bonded high performance joints. The influence of homogeneous dispersion of carbon nanotubes and alumina nanoparticles on the cohesive strength, interfacial properties and mechanical behaviour of [...]

Thin Film Instability and Nanostructure Formation: a Molecular Dynamics Study

Han M., Lee J.S., Park S., Choi Y.K., Seoul National University, KR

One of the recent studies showed that the structures can be self-constructed by controlling the instability of thin fluid film of a nano-scale [S.Y. Chou and L. Zhuang, , J. Vac. Sci. and Technol. B, [...]

Optical Absorption Modeling of Arbitrary Shaped Nanoparticles

Mullin P., Kozlowski G., Kozlowski P.G., Kozlowski G., Kozlowski P.G., Busbee J.D., Jones J.G., Wright State University, US

A method for modeling the optical absorption spectra of nanosize metal particles is demonstrated. Computer software has been developed to generate the absorption spectra from the particles geometry and material properties. The software breaks the [...]

Modeling of PDMS – Silica Nanocomposites

Smith G.D., Smith J.S., Smith G.D., Smith J.S., Borodin O., University of Utah, US

A hydrogen bonding pathway between polydimethylsiloxane (PDMS) and hydroxyl groups on a silica surface was studied using quantum chemistry calculations of disiloxane and hexamethyldisiloxane molecules with small silica clusters. A newly developed classical force field [...]

Orientation E®ects of Elastic-Plastic Deformation at Surfaces: Nanoindentation of Nickel Single Crystals

Kum O., Clemson University, US

Orientation effects in nanomechanical properties at the surfaces with molecular dyanmics were observed as a function of indenter size and indenter speed in three crystal orientations: 100, 110, and 111. The force vs displacement curves [...]

Modeling and Simulation of Tubular Nanowires

Buldum A., The University of Akron, US

Metallic nanowires have attracted great interest due to their interesting low-dimensional physics and due to possible future technological applications. Most of the previous investigations were related with quantum point contacts and atomic scale nanowires. Recently, [...]