Nanoparticle Synthesis & Applications – Page 65

Modeling of Brillouin Spectrum of a Quantum Dot Crystal

Lazarenkova O.L., Balandin A.A., University of California Riverside, US

Model for simulation of the Brillouin spectra of three-dimensional regimented array of GeSi quantum dots in Si is proposed. We consider the low-energy part of the Raman spectrum that is determined by the transformed modes [...]

Numerical Simulations of Residual Stresses and Their Effects on Electronic Properties in Quantum Dots

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

A finite element method has been utilized to simulate the residual stress distributions in the quantum dots. Both lattice mismatch and thermal expansion effects are included. Our calculation indicates that the residual stresses concentrate at [...]

Ab Initio Calculations on Magnetic Properties of Diluted Magnetic Semiconductors

Kim H., Kim Y-S, Kim H., Kim Y-S, Chung Y-C, Hanyang University, KR

Some diluted magnetic semiconductors (DMS), in which magnetic elements are substituted for a small fraction (~5%) of host elements in a semiconductor lattice, show ferromagnetism, and thus possess potential applicability in spintronics. To obtain quantum-mechanical [...]

The Structures of Fibril Aggregates of Beta-amyloid Peptide 1-40 upon Addition of Dihexanoylphosphatidylcholine

Lin C-M, Lin H-N, Lin T., Huang C-L, Lin C-M, Lin H-N, Lin T., Lin C-M, Lin H-N, Lin T., National Tsing Hua University, TW

The amyloid peptides were found to form fibril aggregates in aqueous solutions and the formation of fibril aggregates is thought to be the cause of the Alzheimers disease [1-2]. It was found that the beta-amyloid [...]

A Comparison of Straight- and Branch-Chained Lipid Bilayers for the Static and Dynamic Properties: A molecular dynamics study

Shinoda W., Mikami M., Baba T., Hato M., National Institute of Advanced Industrial Science & Technology, JP

A bilayer composed of branched chain lipid molecules is generally believed to have high bilayer stability and low ion leakage. To understand how the chain branching affects the bilayer properties on the molecular level, two [...]

Theoretical Investigations of Intermolecular Interactions Involving Pi-Systems and Their Utility in the Design of Novel Functional Nanomaterials

Tarakeshwar P., Kim K.S., Pohang University of Science and Technology, KR

The design and development of novel functional nano-systems has received great attention because of their potential applications in electronics, physics, chemistry, biology, and medicine. An effective design strategy requires a thorough understanding of various interaction [...]

Excited Electronic States and Production Optimizations for Promising Nano-Agents

Slanina Z., Kobayashi K., Nagase S., Academia Sinica, TW

Very high temperatures of fullerene and nanotube syntheses do allow for a significant population of excited electronic states and thus for non-negligible electronic partition functions. This unique feature can have some interesting consequences for computed [...]

Coarse-Grained Molecular Dynamics for Nano-Design

Rudd R.E., Lawrence Livermore National Laboratory, US

The design of nanoscale mechanical systems poses a novel set of challenges for modeling and simulation. The need for an accurate model of the nanoscale components is clear. This can be of the form of [...]

Physical Chemistry of Nanomaterials

Microstructure Changes Induced by Low-energy High-temperature Nitrogen Ion Implantation on Vanadium-Titanium Alloys

Varela M., García J.A., Rodríguez R., Ballesteros C., Univ. Carlos III de Madrid, ES

A detailed structural characterization of unimplanted and low-energy, nitrogen implanted V5at.%Ti alloy is presented. The alloys were produced by repeated arc melting in a high-purity He atmosphere. Samples were nitrogen-implanted at 1,2 kV and 1 [...]