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Japan

Ab Initio Simulation on Deposit Process of Al on Si Surface

Umeno Y., Kitamura T., Kyoto University, JP
It is important to clarify structure of contact between different materials for evaluation of properties of interfaces, which are substantial in electronic devices. Since interaction between different materials has to be evaluated based on the [...]

Computing Enthalpy-Entropy Interplay for Isomeric Fullerenes: C94 IPR Set

Zhao X., Slanina Z., Goto H., Osawa E., Toyohashi University of Technology, JP
The complete set of 134 isolated-pentagon-rule (IPR) isomers of C94 has been studied by the SAM1, PM3, AM1, and MNDO quantum-chemical methods, MM3 force field method, ab initio HF/4-31G SCF calculation and density functional theory [...]

STM/STS Studies of SWNTs in Bundles, C60 Thin Films and DNA Molecules

Maruyama Y., Ikeda K., Suzuki K., Yoshikawa T., Kato T., Iijima M., Hosei University, JP
The electronic structures of individual carbon nanotubes in a bundle are characterized by STM/STS technique. It is statistically found that the tubes with the same character tend to be assembled in one bundle and its [...]

Massively Parallel Simulation on Large-Scale Carbon Nanotubes

Tejima S., Berber S., Minami K., Jimbo N., Namamura H., Kanada Y., Tomanek D., Research Organization for Information Science & Technology, JP
Carbon nanotubes and fullerene have a lot of applicability for industries as nanotechnology. In order to extend its applicability, the computational simulation would be powerful and effective tools for finding and creating new materials and [...]

Criterion for Electrostatic Detachment of an Adhering Microparticle

Saito S., Himeno H., Takahashi K., Onzawa T., Tokyo Institute of Technology, JP
During micromanipulation, the influence of gravitational force becomes extremely small. The adhesional force is more significant for smaller objects. An adhered object can be detached by electrostatic interaction. In our earlier study, the electrostatic force [...]

Gas-phase Production of Monodisperse Ferroelectric Nanoparticles

Seol K.S., Tomita S., Takeuchi K., Katagiri T., Miyagawa T., Ohki Y., RIKEN, JP
Laser ablative technology was used to prepare monodisperse nanoparticles (4-20 nm in diameter) of lead zirconate titanate (PZT). Laser ablation of a PZT ceramic target in oxygen ambience produced amorphous and irregularly-shaped PZT nanoparticles. A [...]

Fabrication and Characterization of Cobalt Particles by Ion-beam Induced Chemical Vapor Deposition (IBICVD)

Lin K-W, Suzuki T., Kang K., Zhang Z., Toyota Technological Institute, JP
Nanometer-sized patterned media has been of great interest in high density data storage application [1,2]. Different fabrication techniques have been studied with its unique physical properties of nanoscale features. Among these, ion-beam induced chemical vapor [...]

A Space-time Coarse-grained Model for Particle Simulations of Soft Matter

Liew C.C., Mikami M., Research Institute for Computational Sciences (RICS), AIST, JP
We have developed a series of particle models that are consistent in phase behavior at various space-time coarse-grained levels based on three coarse-graining procedures: Grouping (Gp) for monomer or segment of molecules, Packing (Pk) for [...]

Fast, Accurate Molecular Dynamics Simulations for Surfaces and Membranes

Kawata M., Nagashima U., National Institute of Advanced Industrial Science and Technology, JP
We have developed new fast method for calculating the accurate Coulomb interactions for quasi-2D systems and implemented in the MD calculations. We present the details of the computational steps to implement the 2D-PME method, focusing [...]

Primary Consideration on Compact Modeling of DG MOSFETs with Four-terminal Operation Mode

Nakagawa T., Sekigawa T., Tsutsumi T., Suzuki E., Koike H., Electroinformatics Group, AIST, JP
Recently, a double-gate structure has attracted much attention as an emerging device concept. The DG MOSFET is regarded as the most scalable device. Usually the DG MOSFET is supposed to be used as a three-terminal [...]

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