Monte Carlo simulation – TechConnect Briefs

Monte Carlo simulation of the energetics and thermodynamics of polypyrrole in condensed phases

Helmick G., Abere Y., Blaisten-Barojas E., George Mason University, US

Polypyrrole (PPy) is a conducting polymer with a wide range of applications such as supercapacitors, sensors, batteries, actuators, and neural prosthetics. PPy is a popular polymer in experimentation not so easily accessed in computational modeling [...]

Morphological change from nano-cube to nano-sphere by addition of Ni to W in RF thermal plasma synthesis

Kim Y.M., Na H., Lee B.J., Lee W., Lee B.J., Lee W., Hwang N.M., Choi H., Korea Institute of Industrial Technology, KR

Pure W and W-Ni nano-particles were effectively synthesized by feeding thermo-physically favorable oxide feedstock micro-powder into argon-hydrogen thermal plasma. During the process, feedstock particle underwent a vaporization, reduction, and condensation pathway. Significant amount of nano-cube [...]

Controlling Oxidation Reaction on Platinum by Spin Manipulation

Sison Escaño M.C., Nguyen T.Q., Nakanishi H., Kasai H., Osaka University, JP

Oxidation of metal surface is of outstanding practical importance in microelectronics, energy conversion systems and environmental devices. As an oxidation catalyst, platinum (Pt) is widely used in chemical and automotive industries. Thus far, the dissociative [...]

Monte Carlo simulations of 1keV to 100keV electron trajectories from vacuum through solids into air and resulting current density and energy profiles

Hieke A., GEMIO Technologies, Inc., US

Increased awareness to use environmentally friendly methods for surface sterilization has rejuvenated interest in methods based on electron beam irradiation. Thus far, Monte Carlo electron beam simulations have been described either as typical electron optics [...]

Monte Carlo Multi-Criteria Risk Analysis of Single Wall Carbon Nanotube Production Processes Under Uncertain Manufacturing Costs, Occupational Health Risks, and Regulatory Standards

Ok Z.D., Isaacs J.A., Benneyan J.C., Northeastern University, US

Considerable uncertainty exists regarding full-scale manufacturing costs, occupational risks, and probable future regulatory standards for various single wall carbon nanotube (SWNT) manufacturing processes. Monte Carlo models have been developed to investigate these implications and compare [...]

Development of an Advanced Simulation System for the Analysis of Particle Dynamics in LASER based Protein Ion Sources

Hieke A., Ciphergen Biosystems, Inc., US

An advanced multi-physics simulation system henceforth referred to as GEMIOS (Gas and Electromagnetic Ion Optical Simulator) has been implemented which allows the computation of 3D trajectories and energy exchange of ion beams/clouds under the influence [...]

BioMOCA: A Transport Monte Carlo Approach to Ion Channel Simulation

van der Straaten T.A., Kathawala G., Ravaioli U., Beckman Institute, University of Illinois, US

Ion channels are highly charged proteins found in the cell membrane, which regulate ion transport to the cell. Most channels switch between conducting and non-conducting states and many can selectively transmit or block a particular [...]

Kinetic Monte Carolo Simulation of Thin Film Growth with Void Formation – Application to via Filling

Hiwatari Y., Kaneko Y., Ohara K., Murakami T., Kanazawa University, JP

In this paper, we study the void formation during via ﬁlling as a model of copper damascene plating for LSI interconnects. We developed a new model for crystal growth which enables us to study the [...]

Study of Electron Transport in SOI MOSFETs using Monte Carlo Technique with Full-Band Modeling

Takeda H., Mori N., Hamaguchi C., Osaka University, JP

In SOI MOSFETs, electrons are quantized into two-dimensional electron gas by the strong electric field normal to the interface. When the Si-layer thickness is thinner than the inversion layer width, the confinement becomes stronger and [...]

Fullband Particle-Based Simulation of High-Field Transient Transport in III-V Semiconductors

Wigger S., Saraniti M., Goodnick S.M., Leitenstorfer A., Arizona State University, US

Motivated by the recent experimental measurements of Tera-Hertz radiation [1], this work presents the transient analysis of photogenerated electron-hole pairs in GaAs and InP pin diodes usinga full-band particlebased simulator. Excellent agreement is found between [...]