Yıl 2012,
Cilt: 2 Sayı: 2, 44 - 48, 23.12.2012
Öz
The crystallization process of a aluminium (Al) amorphous mono-atomic with 2048 atoms is studied with molecular dynamics (MD) simulation. Amorphous and crystal structure of Al is reproduced by applying fast cooling treatment and crystal behaviour from amorphous phase by means of MD simulation. The local order of the system have been analysed by bond orientational order parameters, the radial distribution functions and atomic coordinates. The simulation results also show that there are transformations from a disordered structure to a stable crystal phase during the crystallization.
Anahtar Kelimeler
Molecular dynamics embedded atom method local order nucleation
Kaynakça
- Aste T, Saadatfar M, Senden TJ (2005). Geometrical structure of disordered sphere packing. Phys Rev E 71, 061302.
- Brown TM, Adams JB (1995). EAM calculations of the thermodynamics of amorphous copper. J Non-Crys Sol 180, 275.
- Celik FA, Kazanc S, Yildiz AK, Ozgen S (2008). Pressure effect on the structural properties of amorphous Ag during isothermal annealing. Intermetallics 16, 793- 800.
- Daw S, Baskes ML (1984). Embedded-atom method: derivation and application to impuries, surfaces and other defects in metals. Phys Rev B 29, 6443-6453.
- Desré PJ, Cini E, Vinet B (2001). Homophase-fluctuation- mediated mechanism of nucleation in multicomponent liquid alloys and glass-forming ability. J Non-Crys Sol 288, 210-217.
- Erkoc S (1998). Physics of clusters. ARI 51, 11-14.
- Gasser U, Schofield A, Weitz, DA (2003). Local order in a supercooled colloidal fluid observed by confocal microscopy. J Phys Condens Matter 15, S375 –S380.
- Kazanc S (2007). Molecular dynamics study of pressure effect on crystallization behavior of amorphous CuNi alloy during isothermal annealing. Phys Let A 365, 473-477.
- Lechner W, Dellago. C (2008). Accurate determinations of crystal strtuctures based on averaged local bond order parameters. J Chem Phys 129, 114707.
- Lu K (1996). Nanocrystalline metals crystallized from amorphous solids: nonocrystallization, structure, and properties. Mater Sci Eng R 16, 161-221.
- Nelson DR, Toner J (1981). Bond-orientational order, dislocation loops, and melting of solids and smectic-a liquid crystals. Phys Rev B 24, 363-387.
- Ozgen S, Duruk E (2004). Molecular Dynamics Simulation of Solidification Kinetics of Aluminium Using Sutton- Chen Version of EAM. Mater Lett 58, 1071-1075.
- Parrinello M, Rahman A (1981). Polymorphic transitions in single crystals: a new molecular dynamics methodi. J Appl Phys 52, 7182.
- Pei QX, Lu C, Lee HP (2005). Crystallization of amorphous alloy during isothermal annealing: a molecular dynamics study. J Phys Condens Matter 17, 1493– 1504.
- Proykova A, Berry RS (2006). Insights into phase transitions from phase changes of clusters. J Phys B: At Mol Opt Phys 39, 167-202.
- Schuh CA, Hufnagel TC, Ramamurty U (2007). Mechanical behavior of amorphous alloys. Acta Mater 55, 4067-4109.
- Steinhardt PJ, Nelson DR, Ronchetti M (1983). Bond orientational order in liquids and glasses. Phys Rev B 28, 784-804.
- Wang Y, Dellago. C (2003). Structural and morphological transitions in gold nanorods: A computer simulation study. J Phys Chem B 107, 9214-9219
Yıl 2012,
Cilt: 2 Sayı: 2, 44 - 48, 23.12.2012
Öz
Kaynakça
- Aste T, Saadatfar M, Senden TJ (2005). Geometrical structure of disordered sphere packing. Phys Rev E 71, 061302.
- Brown TM, Adams JB (1995). EAM calculations of the thermodynamics of amorphous copper. J Non-Crys Sol 180, 275.
- Celik FA, Kazanc S, Yildiz AK, Ozgen S (2008). Pressure effect on the structural properties of amorphous Ag during isothermal annealing. Intermetallics 16, 793- 800.
- Daw S, Baskes ML (1984). Embedded-atom method: derivation and application to impuries, surfaces and other defects in metals. Phys Rev B 29, 6443-6453.
- Desré PJ, Cini E, Vinet B (2001). Homophase-fluctuation- mediated mechanism of nucleation in multicomponent liquid alloys and glass-forming ability. J Non-Crys Sol 288, 210-217.
- Erkoc S (1998). Physics of clusters. ARI 51, 11-14.
- Gasser U, Schofield A, Weitz, DA (2003). Local order in a supercooled colloidal fluid observed by confocal microscopy. J Phys Condens Matter 15, S375 –S380.
- Kazanc S (2007). Molecular dynamics study of pressure effect on crystallization behavior of amorphous CuNi alloy during isothermal annealing. Phys Let A 365, 473-477.
- Lechner W, Dellago. C (2008). Accurate determinations of crystal strtuctures based on averaged local bond order parameters. J Chem Phys 129, 114707.
- Lu K (1996). Nanocrystalline metals crystallized from amorphous solids: nonocrystallization, structure, and properties. Mater Sci Eng R 16, 161-221.
- Nelson DR, Toner J (1981). Bond-orientational order, dislocation loops, and melting of solids and smectic-a liquid crystals. Phys Rev B 24, 363-387.
- Ozgen S, Duruk E (2004). Molecular Dynamics Simulation of Solidification Kinetics of Aluminium Using Sutton- Chen Version of EAM. Mater Lett 58, 1071-1075.
- Parrinello M, Rahman A (1981). Polymorphic transitions in single crystals: a new molecular dynamics methodi. J Appl Phys 52, 7182.
- Pei QX, Lu C, Lee HP (2005). Crystallization of amorphous alloy during isothermal annealing: a molecular dynamics study. J Phys Condens Matter 17, 1493– 1504.
- Proykova A, Berry RS (2006). Insights into phase transitions from phase changes of clusters. J Phys B: At Mol Opt Phys 39, 167-202.
- Schuh CA, Hufnagel TC, Ramamurty U (2007). Mechanical behavior of amorphous alloys. Acta Mater 55, 4067-4109.
- Steinhardt PJ, Nelson DR, Ronchetti M (1983). Bond orientational order in liquids and glasses. Phys Rev B 28, 784-804.
- Wang Y, Dellago. C (2003). Structural and morphological transitions in gold nanorods: A computer simulation study. J Phys Chem B 107, 9214-9219
Toplam 18 adet kaynakça vardır.
Ayrıntılar
| Birincil Dil | İngilizce |
|---|---|
| Bölüm | Makaleler |
| Yazarlar | |
| Yayımlanma Tarihi | 23 Aralık 2012 |
| Gönderilme Tarihi | 23 Ağustos 2012 |
| Yayımlandığı Sayı | Yıl 2012 Cilt: 2 Sayı: 2 |
