US – Page 345 – TechConnect Briefs

Virtual Reality approach for nanoparticles tracking using simulated forces

Ikonomov P.G., Ghantasala M.K., Western Michigan University, US

In this paper we propose a VR approach to track the nanoparticle movement using simulated forces. As a first step in this direction we have considered the representation of the interaction between nanoparticles and Atomic [...]

Designing Opto-Electronic Nanomaterials Using First Principles Simulations

Williamson A.J., Lawrence Livermore National Laboratory, US

The results of recent first principles simulations of the structural and opto-electronic of semiconductor nanomaterials will be presented. We will show how the opto-electronic properties of silicon nanomaterials can be controlled by altering their size, [...]

Phonon Scattering in Doped Silicon by Molecular Dynamics Simulation

Yao M., Watanabe T., Phillpot S.R., Schelling P.K., Keblinski P., Cahill D.G., University of Florida, US

Molecular dynamics simulation is used to study the scattering of phonon wave packets of well–defined frequency . The simulation system is 22 unit cells in the direction normal to phonon propagation and 3000 unit cells [...]

Study of the RF Characteristics features of Optimized SOI – MESFETs

Tarik K., Vasileska D., Thornton T.J., Arizona State University, US

We have already demonstrated that the SOI MESFET device structure is a suitable candidate for micropower circuit applications due to its high anticipated cut-off frequency . Even though the device offers higher fT, there is [...]

Technique for Time and Frequency Dependent Solutions of the Diffusion Equation: Application to temperature of nanoscale devices

Forbes L., Wanalertlak W., Louie M.Y., Oregon State University, US

Typical CMOS device currents have remained around 1mA/um while devices have scaled down. The projection into the 2010 time frame is 0.01um or 10nm dimensions with 0.5V power supplies which results for a minimum dimension [...]

Molecular Simulation Studies on Adsorption of Mercuric Chloride

Kotdawala R.R., Kazantzis N., Thompson R.W., Worcester Polytechnic Institute, US

The need to develop technologies capable of achieving high removal efficiencies for mercury chloride emission control led many researchers to focus their attention on the evaluation of the adsorption capacity and selectivity shown by different [...]

Model of a Liquid Nanofilm on a Solid Substrate

Akhatov I., Gavrilyuk S., North Dakota State University, US

Van der Waals attractive forces drastically change the material properties of thin layers several nanometers when in contact with a solid. At this scale, the fluid is no longer homogeneous. Moreover, it has properties which [...]

Multi-scale Discrete Dislocation Plasticity Analysis: Application to Nano-indentation

Khan S.M.A., Levine L.E., National Institute of Standards and Technology, US

With the growing utilization of nano-scale components in various technologies like MEMS, NEMS, thin films, medical diagnostics etc, nano-indentation testing is finding new expanding applications towards quantitative determination of mechanical properties at the nano-scale. In [...]

DNA-based Killer Automaton: The Innovative Nanomedicine

Liu S., Gaudiot J.-L., University of California Irvine, US

Based upon Shapiro’s molecular automaton model, we propose the DNA-based Killer Automaton (DKA), an innovative nanomedicine for cancer treatment. Each DKA is composed of a DNA cancer detector and a cytotoxic chemical. Equipped with an [...]

ONETEP: Linear-Scaling Density-Functional Theory with Plane-Waves

Mostofi A.A., Haynes P.D., Skylaris C.-K., Payne M.C., Massachusetts Institute of Technology, US

Conventional methods for atomistic simulations based on density-functional theory (DFT), such as the plane-wave pseudopotential approach, have had an immense impact on the way in which material properties are studied. In spite of this success, [...]