Equations of state for amorphous and crystalline nickel by means of molecular dynamics method

Soner ÖZGEN; Levent SONĞUR and İzzet KARA

Makale detayları

Equations of state for amorphous and crystalline nickel by means of molecular dynamics method

Yazarlar:

Soner ÖZGEN | Levent SONĞUR and İzzet KARA

Yayıncı:

TUBITAK

Dergi:

Turkish Journal of Physics 2012 Vol.36 Issue 1, pp.59-66

Belge Tipi:

Makale

Yayın Tarihi:

12/2011

Belge Dili:

Türkçe

Document ID (Org No.):

2000760480

Sıklık:

İki Aylık

eISSN:

1303-6122

pISSN:

1300-0101

Anahtar kelimeler:

Özet:

 

There are few theoretical studies on the equation of state  (EOS) for amorphous materials while much work has been carried out for  crystalline systems.  In this study, the EOSs for both crystal- and  amorphous-structured nickel are obtained by using an anisotropic  molecular dynamics method based on the Voter-Chen formalism of  embedded atom method.  In order to achieve the EOSs, polynomial curve  fitting method has been applied to the data obtained from molecular  dynamics simulations carried assuming isothermal and isobaric  conditions.  Isothermal bulk modulus and their pressure derivatives  for both amorphous and crystal structures have also been calculated.  The results are compared with the values obtained from well-known  Vinet and Davydov EOSs.

 

There are few theoretical studies on the equation of state  (EOS) for amorphous materials while much work has been carried out for  crystalline systems.  In this study, the EOSs for both crystal- and  amorphous-structured nickel are obtained by using an anisotropic  molecular dynamics method based on the Voter-Chen formalism of  embedded atom method.  In order to achieve the EOSs, polynomial curve  fitting method has been applied to the data obtained from molecular  dynamics simulations carried assuming isothermal and isobaric  conditions.  Isothermal bulk modulus and their pressure derivatives  for both amorphous and crystal structures have also been calculated.  The results are compared with the values obtained from well-known  Vinet and Davydov EOSs.

Makale detayları

Equations of state for amorphous and crystalline nickel by means of molecular dynamics method

Yazarlar:

Soner ÖZGEN | Levent SONĞUR and İzzet KARA

Yayıncı:

TUBITAK

Dergi:

Turkish Journal of Physics 2012 Vol.36 Issue 1, pp.59-66

Belge Tipi:

Makale

Yayın Tarihi:

12/2011

Belge Dili:

Türkçe

Document ID (Org No.):

2000760480

Sıklık:

İki Aylık

eISSN:

1303-6122

pISSN:

1300-0101

Equation of state

molecular dynamics simulation

amorphous structures

embedded atom method

Sayı

Makale detayları

Equations of state for amorphous and crystalline nickel by means of molecular dynamics method

Yazarlar: Soner ÖZGEN | Levent SONĞUR and İzzet KARA

Yayıncı: TUBITAK

Dergi: Turkish Journal of Physics 2012 Vol.36 Issue 1, pp.59-66

Belge Tipi: Makale

Yayın Tarihi: 12/2011

Belge Dili: Türkçe

Document ID (Org No.): 2000760480

Sıklık: İki Aylık

eISSN: 1303-6122

pISSN: 1300-0101

Equation of state

molecular dynamics simulation

amorphous structures

embedded atom method

Sayı

Yazarlar:

Soner ÖZGEN | Levent SONĞUR and İzzet KARA

Yayıncı:

TUBITAK

Dergi:

Turkish Journal of Physics 2012 Vol.36 Issue 1, pp.59-66

Belge Tipi:

Makale

Yayın Tarihi:

12/2011

Belge Dili:

Türkçe

Document ID (Org No.):

2000760480

Sıklık:

İki Aylık

eISSN:

1303-6122

pISSN:

1300-0101