Details
| Original language | English |
|---|---|
| Pages (from-to) | 307-326 |
| Number of pages | 20 |
| Journal | International Journal for Multiscale Computational Engineering |
| Volume | 10 |
| Issue number | 4 |
| Publication status | Published - Jun 2012 |
Abstract
Analyzing contact performances between two surfaces plays a key role in studying friction, wear, and lubrication in tribological systems. Advancements of micro/nano-electromechanical system (MEMS/NEMS) and nanotechnology in recent years demand the developments of multiscale contact mechanics. By using multiscale methods, calculation domains which consider local mechanical behaviors with nanoscale characteristics could be simulated by atomistic methods, and other domains can still use conventional methods for larger lengths and time scales in order to save computational costs or achieve high-performance calculations for larger scale systems. A molecular dynamics-continuum concurrent multiscale model for quasi-static nanoscale contacts is presented, which can both implement equilibrium of the energy field and force field in different scale domains. In molecular dynamics simulations, since the speed of the approaching probe is very small in comparison with the longitudinal sound speed, which is usually in the order of 10 3 m/s, the results of the contact process can be treated approximately as the quasi-static case in nature. For continuum simulations, the Cauchy-Born rule is employed to evaluate the nonlinear constitutive relationship of the coarse scale. By using the present multiscale model, simulations of nanoscale adhesive contacts between a cylinder and a substrate are implemented. The results show that the boundary conditions are effective for the contact problems. Furthermore, 2-D adhesive contacts of rough surfaces are investigated. Some behaviors of the nanoscale contact processes are discussed, and differences between the multiscale model and the pure molecular dynamics simulation are revealed.
Keywords
- Continuum mechanics, Molecular dynamics, Multiscale modeling, Nanoscale contacts
ASJC Scopus subject areas
- Engineering(all)
- Control and Systems Engineering
- Engineering(all)
- Computational Mechanics
- Computer Science(all)
- Computer Networks and Communications
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In: International Journal for Multiscale Computational Engineering, Vol. 10, No. 4, 06.2012, p. 307-326.
Research output: Contribution to journal › Article › Research › peer review
}
TY - JOUR
T1 - A molecular dynamics-continuum concurrent multiscale model for quasi-static nanoscale contact problems
AU - Liu, Tianxiang
AU - Wriggers, Peter
AU - Liu, Geng
PY - 2012/6
Y1 - 2012/6
N2 - Analyzing contact performances between two surfaces plays a key role in studying friction, wear, and lubrication in tribological systems. Advancements of micro/nano-electromechanical system (MEMS/NEMS) and nanotechnology in recent years demand the developments of multiscale contact mechanics. By using multiscale methods, calculation domains which consider local mechanical behaviors with nanoscale characteristics could be simulated by atomistic methods, and other domains can still use conventional methods for larger lengths and time scales in order to save computational costs or achieve high-performance calculations for larger scale systems. A molecular dynamics-continuum concurrent multiscale model for quasi-static nanoscale contacts is presented, which can both implement equilibrium of the energy field and force field in different scale domains. In molecular dynamics simulations, since the speed of the approaching probe is very small in comparison with the longitudinal sound speed, which is usually in the order of 10 3 m/s, the results of the contact process can be treated approximately as the quasi-static case in nature. For continuum simulations, the Cauchy-Born rule is employed to evaluate the nonlinear constitutive relationship of the coarse scale. By using the present multiscale model, simulations of nanoscale adhesive contacts between a cylinder and a substrate are implemented. The results show that the boundary conditions are effective for the contact problems. Furthermore, 2-D adhesive contacts of rough surfaces are investigated. Some behaviors of the nanoscale contact processes are discussed, and differences between the multiscale model and the pure molecular dynamics simulation are revealed.
AB - Analyzing contact performances between two surfaces plays a key role in studying friction, wear, and lubrication in tribological systems. Advancements of micro/nano-electromechanical system (MEMS/NEMS) and nanotechnology in recent years demand the developments of multiscale contact mechanics. By using multiscale methods, calculation domains which consider local mechanical behaviors with nanoscale characteristics could be simulated by atomistic methods, and other domains can still use conventional methods for larger lengths and time scales in order to save computational costs or achieve high-performance calculations for larger scale systems. A molecular dynamics-continuum concurrent multiscale model for quasi-static nanoscale contacts is presented, which can both implement equilibrium of the energy field and force field in different scale domains. In molecular dynamics simulations, since the speed of the approaching probe is very small in comparison with the longitudinal sound speed, which is usually in the order of 10 3 m/s, the results of the contact process can be treated approximately as the quasi-static case in nature. For continuum simulations, the Cauchy-Born rule is employed to evaluate the nonlinear constitutive relationship of the coarse scale. By using the present multiscale model, simulations of nanoscale adhesive contacts between a cylinder and a substrate are implemented. The results show that the boundary conditions are effective for the contact problems. Furthermore, 2-D adhesive contacts of rough surfaces are investigated. Some behaviors of the nanoscale contact processes are discussed, and differences between the multiscale model and the pure molecular dynamics simulation are revealed.
KW - Continuum mechanics
KW - Molecular dynamics
KW - Multiscale modeling
KW - Nanoscale contacts
UR - http://www.scopus.com/inward/record.url?scp=84861882303&partnerID=8YFLogxK
U2 - 10.1615/IntJMultCompEng.2012002133
DO - 10.1615/IntJMultCompEng.2012002133
M3 - Article
AN - SCOPUS:84861882303
VL - 10
SP - 307
EP - 326
JO - International Journal for Multiscale Computational Engineering
JF - International Journal for Multiscale Computational Engineering
SN - 1543-1649
IS - 4
ER -