Formation of Dislocations in the Growth of Silicon along Different Crystallographic Directions—A Molecular Dynamics Study
Molecular dynamics simulations of the seeded solidification of silicon along <100>, <110>, <111> and <112> directions have been carried out. The Tersoff potential is adopted for computing atomic interaction. The control of uniaxial strains in t...
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MDPI AG
2018-08-01
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| Series: | Crystals |
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| Online Access: | http://www.mdpi.com/2073-4352/8/9/346 |
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doaj-2e0d67583f754c7d8e8b3848b3b1db5b2020-11-25T00:13:15ZengMDPI AGCrystals2073-43522018-08-018934610.3390/cryst8090346cryst8090346Formation of Dislocations in the Growth of Silicon along Different Crystallographic Directions—A Molecular Dynamics StudyNaigen Zhou0Xiuqin Wei1Lang Zhou2Institute of Photovoltaics, Nanchang University, Nanchang 330031, ChinaInstitute of Photovoltaics, Nanchang University, Nanchang 330031, ChinaInstitute of Photovoltaics, Nanchang University, Nanchang 330031, ChinaMolecular dynamics simulations of the seeded solidification of silicon along <100>, <110>, <111> and <112> directions have been carried out. The Tersoff potential is adopted for computing atomic interaction. The control of uniaxial strains in the seed crystals is enabled in the simulations. The results show that the dislocation forms stochastically at the crystal/melt interface, with the highest probability of the formation in <111> growth, which agrees with the prediction from a previously proposed twinning-associated dislocation formation mechanism. Applications of the strains within a certain range are found to inhibit the {111}-twinning-associated dislocation formation, while beyond this range they are found to induce dislocation formation by different mechanisms.http://www.mdpi.com/2073-4352/8/9/346dislocationgrowthsiliconmolecular dynamicsstrain effectsimulation |
| collection |
DOAJ |
| language |
English |
| format |
Article |
| sources |
DOAJ |
| author |
Naigen Zhou Xiuqin Wei Lang Zhou |
| spellingShingle |
Naigen Zhou Xiuqin Wei Lang Zhou Formation of Dislocations in the Growth of Silicon along Different Crystallographic Directions—A Molecular Dynamics Study Crystals dislocation growth silicon molecular dynamics strain effect simulation |
| author_facet |
Naigen Zhou Xiuqin Wei Lang Zhou |
| author_sort |
Naigen Zhou |
| title |
Formation of Dislocations in the Growth of Silicon along Different Crystallographic Directions—A Molecular Dynamics Study |
| title_short |
Formation of Dislocations in the Growth of Silicon along Different Crystallographic Directions—A Molecular Dynamics Study |
| title_full |
Formation of Dislocations in the Growth of Silicon along Different Crystallographic Directions—A Molecular Dynamics Study |
| title_fullStr |
Formation of Dislocations in the Growth of Silicon along Different Crystallographic Directions—A Molecular Dynamics Study |
| title_full_unstemmed |
Formation of Dislocations in the Growth of Silicon along Different Crystallographic Directions—A Molecular Dynamics Study |
| title_sort |
formation of dislocations in the growth of silicon along different crystallographic directions—a molecular dynamics study |
| publisher |
MDPI AG |
| series |
Crystals |
| issn |
2073-4352 |
| publishDate |
2018-08-01 |
| description |
Molecular dynamics simulations of the seeded solidification of silicon along <100>, <110>, <111> and <112> directions have been carried out. The Tersoff potential is adopted for computing atomic interaction. The control of uniaxial strains in the seed crystals is enabled in the simulations. The results show that the dislocation forms stochastically at the crystal/melt interface, with the highest probability of the formation in <111> growth, which agrees with the prediction from a previously proposed twinning-associated dislocation formation mechanism. Applications of the strains within a certain range are found to inhibit the {111}-twinning-associated dislocation formation, while beyond this range they are found to induce dislocation formation by different mechanisms. |
| topic |
dislocation growth silicon molecular dynamics strain effect simulation |
| url |
http://www.mdpi.com/2073-4352/8/9/346 |
| work_keys_str_mv |
AT naigenzhou formationofdislocationsinthegrowthofsiliconalongdifferentcrystallographicdirectionsamoleculardynamicsstudy AT xiuqinwei formationofdislocationsinthegrowthofsiliconalongdifferentcrystallographicdirectionsamoleculardynamicsstudy AT langzhou formationofdislocationsinthegrowthofsiliconalongdifferentcrystallographicdirectionsamoleculardynamicsstudy |
| _version_ |
1725395433623126016 |