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Structural Optimization of Nanoclusters with Adaptive Tempering Monte Carlo Method

Dong X., Blaisten-Barojas E., George Mason University, US
The Adaptive Tempering Monte Carlo (ATMC) method was proposed for the optimization of nanosystems. In the simulation, tempering is applied such that the temperature of the system is changed adaptively such that a multitude of [...]

Finite Temperature Quasicontinuum Method for Thermal and Mechanical Analysis of Silicon Nanostructures

Tang Z., Zhao H., Li G., Aluru N.R., University of Illinois at Urbana-Champaign, US
We formulate a finite temperature quasicontinuum method to calculate the thermodynamic and elastic properties of crystalline silicon as well as the mechanical response of silicon nanostructures subjected to externally applied forces. We solve the continuum [...]

Modeling of multi-scale processes during plasma-assisted growth of carbon nanotubes

Vasenkov A.V., Kolobov V.I., CFD Research Corporation, US
Multi-Scale Computational Framework (MSCF) has been recently developed for nanostructured materials’ fabrication. This framework integrates a Computational Fluid Dynamic solver for computing reactor scale process, a Kinetic Monte Carlo simulator for the growth of nanostructured [...]

Investigation of Different Heating Regimes of Laser-Assisted Cleaning using Molecular Dynamics Simulation

Unlusu B., Varo E., Hussaini M.Y., Gelb L.D., Florida State University, US
Laser-assisted cleaning is a technique developed in the early 90s that can efficiently remove micro and sub-micro scale particles from critical surfaces. It is a non-contact method that can be applied in two different ways. [...]

Aggregation and Fate of Fullerene Nanoparticles in Aquatic Environments

Chen K.L., Elimelech M., Yale University, US
Fullerene has unique chemical properties and physical structure, and is emerging in a wide range of electronics and biomedical applications. However, toxicity studies have raised concern that fullerene may have adverse human health effects. With [...]

Multi-scale, Mechano-biological Model of Nanoparticle Toxicity

Jenkins J., Pant K., Hood J., Sundaram S., CFD Research Corporation, US
Multiscale simulation of the toxic physiological effects of short and long term exposure to nanoparticles (NP) requires a unified quantitative understanding of NP deposition, partitioning of NP within the body (lung, liver, spleen, and brain), [...]

Testing and Evaluation of Nanoparticle Efficacy on E. Coli, and Bacillus Anthracis Spores

Sloan M., Farnsworth S., Nanotechnologies, Inc., US
Nanoparticles of metals, including silver, when dispersed in wayer were shown to have efficacy against e. coli and bacillus anthracis.

New Guidelines for Selecting Best Extraction Methods of EPS Using Atomic Force Microscopy

Kang S., Ahn Y., Choi H., Elimelech M., Yale University, US
In this study, we applied AFM to develop the guideline during the selection of best extraction methods for exocellular polymeric substances (EPS). A single cell of S. cerevisiae was glued at the end of the [...]

Growth and Some Enzymatic Responses of E. coli to Photocatalytic TiO2

Erdem A., Metzler D., Chou H.W., Lin H-Y, Huang C.P., University of Delaware, US
The effects of photocatalytic nano-TiO2 on the survival or die-off of E. coli (e.g. TK2) were investigated under ambient conditions. Experimentally, a 28-h E. coli culture was exposed to photocatalytic nano-TiO2 at various concentrations, e.g., [...]

“Cultural Bonds” in High Technology: Collaborations between Chinese Researchers in Nanotechnology

Leung R., Li J., University of Wisconsin-Madison, US
Socio-cultural issues have attracted increasing attention from policy makers in high technology. For example, a certain “culture” of high-tech fear, exemplified by Michael Crichton’s best-selling novel Prey, seems to have emerged in U.S. In this [...]

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