DEVELOPMENT OF COARSE-GRAINING METHODS FOR MODELING OF SILICON NANOSTRUCTURES

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NEJAT PISHKENARI HOSSEIN; DELAFROUZ POURYA

مرکز اطلاعات علمی Scientific Information Database (SID) - Trusted Source for Research and Academic Resources

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Journal: Modares Mechanical Engineering Year:2017 | Volume:17 | Issue:4 Page(s): 267-276

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Information Journal Paper

Title

DEVELOPMENT OF COARSE-GRAINING METHODS FOR MODELING OF SILICON NANOSTRUCTURES

Author(s)

NEJAT PISHKENARI HOSSEIN | DELAFROUZ POURYA | Issue Writer Certificate

Keywords

ACCELERATED MOLECULAR DYNAMICSQ1

COARSE-GRAINING MODELQ1

SILICON STRUCTURESQ1

STILLINGER-WEBER POTENTIALQ1

Abstract

With the rapid progress of nanotechnology, application of nano-scale materials has been extensively increased. Due to increase of surface effects at small sizes, the classical theories are not capable of modeling nano-scale systems. On the other hand, more accurate methods at small sizes are based on the quantum and atomistic models which are too time consuming, and hence using these methods is limited to very small sizes for a short period of time. In this research COARSE-GRAINING MODELs for accelerating molecular dynamics simulations for the analysis of SILICON STRUCTURES are proposed. In this technique, after assigning a proper map between beads of the coarse-grained model and atoms of the main structure, the system parameters are modified in a scheme in which the original model and the coarse-grained models have the same physical properties. By using various static and dynamic simulations and evaluating the size effect, the accuracy and speed of the proposed model is examined. The error of this CG model for investigating the Young modulus, longitudinal and transversal vibration is less than 5 percent, while it is about 8 times faster than AA model.

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APA: Copy

NEJAT PISHKENARI, HOSSEIN, & DELAFROUZ, POURYA. (2017). DEVELOPMENT OF COARSE-GRAINING METHODS FOR MODELING OF SILICON NANOSTRUCTURES. MODARES MECHANICAL ENGINEERING, 17(4 ), 267-276. SID. https://sid.ir/paper/178867/en

Vancouver: Copy

NEJAT PISHKENARI HOSSEIN, DELAFROUZ POURYA. DEVELOPMENT OF COARSE-GRAINING METHODS FOR MODELING OF SILICON NANOSTRUCTURES. MODARES MECHANICAL ENGINEERING[Internet]. 2017;17(4 ):267-276. Available from: https://sid.ir/paper/178867/en

IEEE: Copy

HOSSEIN NEJAT PISHKENARI, and POURYA DELAFROUZ, “DEVELOPMENT OF COARSE-GRAINING METHODS FOR MODELING OF SILICON NANOSTRUCTURES,” MODARES MECHANICAL ENGINEERING, vol. 17, no. 4 , pp. 267–276, 2017, [Online]. Available: https://sid.ir/paper/178867/en

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