Papers:
Coarse-Grained Molecular Dynamics for Nano-Design
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 [...]
Excited Electronic States and Production Optimizations for Promising Nano-Agents
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 [...]
Theoretical Investigations of Intermolecular Interactions Involving Pi-Systems and Their Utility in the Design of Novel Functional Nanomaterials
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 [...]
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 [...]
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 [...]
Ab Initio Calculations on Magnetic Properties of Diluted Magnetic Semiconductors
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 [...]
Numerical Simulations of Residual Stresses and Their Effects on Electronic Properties in Quantum Dots
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 [...]
Modeling of Brillouin Spectrum of a Quantum Dot Crystal
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 [...]
Mechanical and Electronic Properties of Nanoscale Semiconductors Studied by Density Functional TB and Path Probability Methods
The atomic and electronic structures of semiconductor heterostructures including steps, misfit dislocations and interface disorder are studied by using the density-functional tight-binding (TB) method. Atomic structures of misfit dislocations both edge type 1/2 (001) and [...]
Binary Chemical Nanopatterns: Fabrication and Use as Templates for Electrostatic Self-Assembly
Baralia G., Jonas A.M., Nicol E., Moussa A., Nysten B., Pallandre A., Université catholique de Louvain, BE
We report on surface-directed macromolecular self-assembly at the nanoscale, starting from 2D templates produced by combining electron beam nanolithography with surface chemistry. As assembly process, we concentrate on electrostatic self-assembly, which allows to grow functional [...]
Utilization of SWNT-Filled Polystyrene Obtained by Miniemulsion Polymerization as a Modifier for High-Performance Epoxy Resins
Barraza H.J., Rueda O., Pompeo F., O'Rear E.A., Williams R.J.J., Resasco D.E., University of Oklahoma, US
One of the several reasons that engineering research aimed towards the purification, functionalization and incorporation of carbon nanotubes into polymeric matrices has been actively pursued for the last five years is that vastly important applications, [...]
Magnetic Driven Assembly of Colloidal Particles onto Patterned Surfaces
A two-dimensional array of colloidal particles can be utilized in constructing devices and materials for photonic, electronic, magnetic and sensor applications. Several methods for patterning colloidal particles arrays have emerged in the recent past, including [...]
Water-Carbon Interactions: Potential Energy Calibration Using Experimental Data
Functionalized carbon nanotubes (CNT) are being studied for use as nanoscale biosensors and water or proton channels. Several molecular dynamics (MD) studies of water in carbon nanotubes have recently been performed to gain further insight [...]
Size Effect on the Elastic Modulus of Nanomaterials as Measured by Resonant Contact Atomic Force Microscopy
The elastic modulus of metallic nanowires and polymer nanotubes was measured using a novel method called resonant contact atomic force microscopy. The direct application of a normal load to the contact was obtained using a [...]
Growth and Structure of Fullerene Thin Films and Other Carbon Nanomaterials
Katz E.A., Prilutskiy O., Faiman D., Shtutina S., Ezersky V., Mogilko E., Ben-Gurion University of the Negev, IL
The present paper reports relationships between structural characteristics of carbon materials and conditions of their production. C60 thin films were grown by a vacuum deposition technique on various substrates. We demonstrate effect of the substrate [...]
Journal: TechConnect Briefs
Volume: 3, Technical Proceedings of the 2003 Nanotechnology Conference and Trade Show, Volume 3
Published: February 23, 2003
Industry sector: Advanced Materials & Manufacturing
Topic: Nanoparticle Synthesis & Applications
ISBN: 0-9728422-2-5