| Reference : Crystallization mechanism in melts of short n-alkane chains |
| Scientific journals : Article | |||
| Physical, chemical, mathematical & earth Sciences : Physics | |||
| http://hdl.handle.net/10993/12814 | |||
| Crystallization mechanism in melts of short n-alkane chains | |
| English | |
Anwar, Muhammad  [University of Luxembourg > Faculty of Science, Technology and Communication (FSTC) > Physics and Materials Science Research Unit >] | |
| Turci, Francesco [University of Luxembourg > Faculty of Science, Technology and Communication (FSTC) > Physics and Materials Science Research Unit >] | |
| Schilling, Tanja [University of Luxembourg > Faculty of Science, Technology and Communication (FSTC) > Physics and Materials Science Research Unit >] | |
| 4-Dec-2013 | |
| Journal of Chemical Physics | |
| American Institute of Physics | |
| 139 | |
| 21 | |
| Yes (verified by ORBilu) | |
| International | |
| 0021-9606 | |
| 1089-7690 | |
| New York | |
| NY | |
| [en] We study crystallization in a model system for eicosane (C20) by means of molecular dynamics
simulation and identify the microscopic mechanisms of homogeneous crystal nucleation and growth. For the nucleation process, we observe that chains first align and then straighten. Then the local density increases and finally the monomer units become ordered positionally. The subsequent crystal growth process is characterized by a sliding-in motion of the chains. Chains preferably attach to the crystalline cluster with one end and then move along the stems of already crystallized chains towards their final position. This process is cooperative, i.e., neighboring chains tend to get attached in clusters rather than independently. | |
| University of Luxembourg: High Performance Computing - ULHPC | |
| http://hdl.handle.net/10993/12814 | |
| 10.1063/1.4835015 | |
| http://dx.doi.org/10.1063/1.4835015 |
| File(s) associated to this reference | ||||||||||||||
|
Fulltext file(s):
| ||||||||||||||
All documents in ORBilu are protected by a user license.
