Informatics, Modeling & Simulation – Page 49

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 [...]

Molecular Simulation of Dendritic Systems

Sadus R.J., Swinburne University of Technology, AU

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 [...]

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 [...]

Topic: Informatics, Modeling & Simulation

Structural Optimization of Nanoclusters with Adaptive Tempering Monte Carlo Method

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

Molecular Simulation of Dendritic Systems

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

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

Realistic molecular models of porous carbons obtained from Reverse Monte Carlo simulations

Atomic Scale Understanding of Intermixing Behavior of Thin Metal Multilayer

Nanoscale Modeling

Motion of a Cylinder Partially Filled With a Nano-Ferro-Fluid Suspension in a Magnetic Field

Size Related Contribution to Electron Energy of the Quantum Ring