Application of FVM-MD coupling algorithm for flow around carbon nanotube

Wen Jing Zhou; Hui Bao Luan; Jie Sun; Ya Ling He; Wen Quan Tao

Application of FVM-MD coupling algorithm for flow around carbon nanotube

Xi'an Jiaotong University

科研成果: 期刊稿件 › 文章 › 同行评审

1 引用（Scopus）

摘要

In this paper, the coupled FVM (finite volume method)-MD (molecular dynamics) algorithm was used to investigate the flow around a carbon nanotube (CNT). The non-periodic boundary condition (NPBC) was applied in both the directions along and perpendicular to the fluid flow, which could describe the flow details better compared with the traditional periodic boundary condition. The results show that the coupled algorithm can not only save computational time, but also provide better microscopic characteristics.

源语言	英语
页（从-至）	679-682
页数	4
期刊	Kung Cheng Je Wu Li Hsueh Pao/Journal of Engineering Thermophysics
卷	32
期	4
出版状态	已出版 - 4月 2011

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abstract = "In this paper, the coupled FVM (finite volume method)-MD (molecular dynamics) algorithm was used to investigate the flow around a carbon nanotube (CNT). The non-periodic boundary condition (NPBC) was applied in both the directions along and perpendicular to the fluid flow, which could describe the flow details better compared with the traditional periodic boundary condition. The results show that the coupled algorithm can not only save computational time, but also provide better microscopic characteristics.",

keywords = "Finite volume method, Molecular dynamics, Multiscale simulation, Non-periodic boundary",

author = "Zhou, \{Wen Jing\} and Luan, \{Hui Bao\} and Jie Sun and He, \{Ya Ling\} and Tao, \{Wen Quan\}",

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T1 - Application of FVM-MD coupling algorithm for flow around carbon nanotube

AU - Zhou, Wen Jing

AU - Luan, Hui Bao

AU - Sun, Jie

AU - He, Ya Ling

AU - Tao, Wen Quan

PY - 2011/4

Y1 - 2011/4

N2 - In this paper, the coupled FVM (finite volume method)-MD (molecular dynamics) algorithm was used to investigate the flow around a carbon nanotube (CNT). The non-periodic boundary condition (NPBC) was applied in both the directions along and perpendicular to the fluid flow, which could describe the flow details better compared with the traditional periodic boundary condition. The results show that the coupled algorithm can not only save computational time, but also provide better microscopic characteristics.

AB - In this paper, the coupled FVM (finite volume method)-MD (molecular dynamics) algorithm was used to investigate the flow around a carbon nanotube (CNT). The non-periodic boundary condition (NPBC) was applied in both the directions along and perpendicular to the fluid flow, which could describe the flow details better compared with the traditional periodic boundary condition. The results show that the coupled algorithm can not only save computational time, but also provide better microscopic characteristics.

KW - Finite volume method

KW - Molecular dynamics

KW - Multiscale simulation

KW - Non-periodic boundary

UR - https://www.scopus.com/pages/publications/79955949875

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AN - SCOPUS:79955949875

SN - 0253-231X

VL - 32

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JO - Kung Cheng Je Wu Li Hsueh Pao/Journal of Engineering Thermophysics

JF - Kung Cheng Je Wu Li Hsueh Pao/Journal of Engineering Thermophysics

IS - 4

ER -

Application of FVM-MD coupling algorithm for flow around carbon nanotube

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