Papers:
Atomic Scale Understanding of Intermixing Behavior of Thin Metal Multilayer
Kim S.-P., Park J.Y., Lee K-R, Lee S-C, Lee K-R, Lee S-C, Chung Y.-J., Whang C.N., Korea Institute of Science and Technology, KR
We investigated the intermixing behavior of Co-Al thin layers by a molecular dynmaic simulation. Asymmetic intermixing was observed: a severe intermixing occurs when Co was deposited on Al substrate while an atomically sharp interface forms [...]
Realistic molecular models of porous carbons obtained from Reverse Monte Carlo simulations
Jain S.K., Gubbins K.E., Pellenq R.J.-M., Centre de Recherche en Matière Condensée et Nanosciences, CNRS, FR
We present a simulation protocol based on Reverse Monte Carlo (RMC) which incorporates an energy constraint to model porous carbons. We use our simulation protocol to build molecular models of 3 saccharose based carbons included [...]
Investigation of Different Heating Regimes of Laser-Assisted Cleaning using Molecular Dynamics Simulation
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. [...]
Modeling of multi-scale processes during plasma-assisted growth of carbon nanotubes
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 [...]
Molecular Simulation of Dendritic Systems
Dendrimers are a new class of highly branched polymers consisting of short chain units with multifunctional groups at both ends. Starting from an initiator core, the successive reaction of the functional groups with other units [...]
Finite Temperature Quasicontinuum Method for Thermal and Mechanical Analysis of Silicon Nanostructures
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 [...]
Structural Optimization of Nanoclusters with Adaptive Tempering Monte Carlo Method
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 [...]
ONETEP: Linear-Scaling Density-Functional Theory with Plane-Waves
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, [...]
DNA-based Killer Automaton: The Innovative Nanomedicine
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 [...]
Modeling of Light Reflection from Nanodimensional Anisotropic Multilayer Films on Isotropic Substrate
Nanoscale multilayers offer outstanding possibilities in the technology of various nanoscale photonic or electronic devices. A widespread way to probe nanometric layers is to employ optical reflection methods. A purpose of this paper, first, is [...]
Multiscale Modelling and Simulation of Nanoparticle-reinforced Damping Materials
Kireitseu M., Bochkareva L.V., Altenbach H., Tomlinson G., UIIP National Academy of Sciences of Belarus, BY
Nanoparticle-reinforced composite material is a relatively new vibration damping technology entailing placement of numerous nanoparticles inside vibrating material structure that has wide applica-tions in areas of transportation (aerospace, auto, rail, maritime) and electronics. Carbon nanotubes [...]
Multi-scale Discrete Dislocation Plasticity Analysis: Application to Nano-indentation
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 [...]
Model of a Liquid Nanofilm on a Solid Substrate
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 [...]
Computations on Ba@C74 and Yb@C74
Computations of C74 and Yb@C74 are reported. C74 exhibits just one IPR (isolated-pentagon-rule) structure, however, there are several C74 non-IPR cages with a relatively low energy. C74 is represented here by six cages. The computations [...]
Molecular Simulation Studies on Adsorption of Mercuric Chloride
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 [...]
Technique for Time and Frequency Dependent Solutions of the Diffusion Equation: Application to temperature of nanoscale devices
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 [...]
Study of the RF Characteristics features of Optimized SOI – MESFETs
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 [...]
New One-Particle Monte Carlo Method for Nanoscale Device Simulation
A new one-particle Monte Carlo iteration scheme has been found toself-consistently take into account generation-recombinationprocesses. The basic idea is to couple the BTE not only with thePoisson equation, but also with the continuity equation by [...]
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 [...]
Designing Opto-Electronic Nanomaterials Using First Principles Simulations
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, [...]
Modeling microdrop motion between covered and open regions of EWOD microsystems
Digital microfluidics is a promising way to manipulate biological targets like DNA, proteins or cells in very small liquid volumes. The advantages of such devices are the use of lesser quantities of costly reagents, better [...]
Minimized atomistic model (MAM) of BmIn cluster and the effect of Ge pre-amorphization implant (Ge-PAI) on boron diffusion
Yoo J-H, Yoon K-S, Hwang C-O, Yoon K-S, Kim J-S, Won T., School of Engineering, National IT Research Center for Computational Electronics, Inha University, KR
In this paper, we report on our minimized atomistic model (MAM) composed of the evolution path from B2I to B3I for describing kinetic Monte Carlo (KMC) in boron diffusion. MAM, which is based on the [...]
Virtual Reality approach for nanoparticles tracking using simulated forces
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 [...]
Impacts of High-k Offset Spacer on 65-nm Node SOI Devices
In this paper, the 65-nm node SOI devices with high-k offset spacer was investigated. Calculated results show that the high-k offset spacer can effectively increase Ion and reduce Ioff due to the high vertical fringing [...]
Solving Electric Field in Combined Conductor and Dielectric Devices
In the design and simulation of micro/nano device areas, it becomes more and more important to obtain, fast and accurate, transient electric field solutions in combined conductor/dielectric materials. The time characteristics for such transient process [...]
FEA Simulation of Thin Film Coils to Power Wireless Neural Interfaces
Kim S., Scholz O., Zoschke K., Harrison R., Solzbacher F., Klein M., Toepper M., Fraunhofer Institute for Biomedical Engineering, DE
To wirelessly transfer energy into active biomedical devices such as neural stimulators or bio-monitors implanted in the body, magnetic coupling of a pair of coils has been commonly used. The growing demand for highly miniaturized [...]
A New Grounded Lamination Gate (GLG) SOI MOSFET for Diminished Fringe Capacitance Effects
In this paper, we propose a novel device structure, known as the Grounded Laminated Gate (GLG) SOI MOSFET to eliminate the gate fringe field effects on the threshold voltage of short channel SOI MOSFETs. Our [...]
Efficient Generation of Reduced-Order Circuit and Device Models for Wide Frequency Applications
An attractive approach to enjoy the accuracy of calibrated physical device models in the circuit design, without computational burdens is the reduced-order modeling (ROM). ROM aims at capturing the most important features of the detailed [...]
VHDL Simulation considering Single Event Upsets (SEUs)
The SEEs can be destructive for semiconductor devices, however non-destructive SEE called SEU ( Single Event Upsets) resulting of bit flips seems to be the main problem. Due to reduction of feature size the SEUs [...]
Determination of Frequency Dependent Fluid Damping of Micro and Nano Resonators for Different Cross-sections
This research is to quantitatively investigate the fluid damping of the MEMS and NEMS flexural resonators such as AFM and carbon nanotube resonators. We systematically explore the three most important factors which affect the fluid [...]
A molecular communication system using a network of cytoskeletal filaments
Enomoto A., Moore M., Nakano T., Egashira R., Suda T., Kayasuga A., Kojima H., Sakibara H., Oiwa K., University of California Irvine, US
We have proposed Molecular Communication, a new and interdisciplinary research area that spans over the nanotechnology, biotechnology, and communication technology. Molecular communication allows nanomachines to communicate through the transport of molecules. Using molecular communication to [...]
Journal: TechConnect Briefs
Volume: 1, Technical Proceedings of the 2006 NSTI Nanotechnology Conference and Trade Show, Volume 1
Published: May 7, 2006
Industry sector: Advanced Materials & Manufacturing
Topic: Informatics, Modeling & Simulation
ISBN: 0-9767985-6-5