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| Content Provider | Springer Nature Link |
|---|---|
| Author | Wu, Cheng Da Lin, Jen Fin |
| Copyright Year | 2008 |
| Abstract | A multiscale particle method for coupling continuum and molecular models is described. In this method, the continuum model was assumed to be a lattice form and can be applied in non-characteristic areas or far-away regions from the large deformations to save computational time. Defining a series of critical energies for different lattice sizes is convenient for lattice refinement. In the thermal equilibrium case, the efficiency is around six times higher than that of a classical molecular dynamics (MD) simulation; in addition, great numerical precision is achieved. To test the connection at the molecular/continuum interface, a large-deformation case was studied in a nanoimprinting process. The results were compared with the MD simulation and it was found that the deviation could be reduced through a moderate adjustment of the critical energy in the lattices. This is good evidence that this method is a seamless treatment technology. |
| Starting Page | 273 |
| Ending Page | 279 |
| Page Count | 7 |
| File Format | |
| ISSN | 09478396 |
| Journal | Applied Physics A |
| Volume Number | 91 |
| Issue Number | 2 |
| e-ISSN | 14320630 |
| Language | English |
| Publisher | Springer-Verlag |
| Publisher Date | 2008-02-15 |
| Publisher Place | Berlin, Heidelberg |
| Access Restriction | One Nation One Subscription (ONOS) |
| Subject Keyword | Operating Procedures, Materials Treatment Surfaces and Interfaces, Thin Films Characterization and Evaluation of Materials Nanotechnology Optical and Electronic Materials Condensed Matter |
| Content Type | Text |
| Resource Type | Article |
| Subject | Chemistry Materials Science |
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