Study on crystallization process of SiO2 based SiO2-Li2O nano-wire glass ceramic: A molecular dynamics simulation based on SCC-DFTB calculations

Fatih Ahmet ÇELİK

doi:https://doi.org/10.17678/beuscitech.1018226

Makale detayları

Study on crystallization process of SiO2 based SiO2-Li2O nano-wire glass ceramic: A molecular dynamics simulation based on SCC-DFTB calculations

Yazarlar:

Fatih Ahmet ÇELİK

Yayıncı:

Bitlis Eren University

Dergi:

Bitlis Eren University Journal of Science and Technology 2021 Vol.11 Issue 2, pp.87-90

Belge Tipi:

Makale

Yayın Tarihi:

12/2021

Belge Dili:

İngilizce

Document ID (Org No.):

2000887793

Sıklık:

İki Yıllık

eISSN:

2146-7706

DOI:

https://doi.org/10.17678/beuscitech.1018226

Özet:

 

The aim of this study was to investigate the crystallization behavior of nano-wire SiO2-Li2O glass ceramic during the slow cooling process by using density functional theory (DFT). For this purpose, the extended tight-binding with self-consistent charge (SCC-DFTB) was used to investigate the geometric optimization and molecular dynamics (MD) process for model system. The structural development was analysed by radial distribution function (RDF) at determined temperatures. The results show that the system tends to crystallization at lower temperatures and transforms from liquid phase to crystal phase with a slow cooling rate.

Makale detayları

Study on crystallization process of SiO2 based SiO2-Li2O nano-wire glass ceramic: A molecular dynamics simulation based on SCC-DFTB calculations

Yazarlar: Fatih Ahmet ÇELİK

Yayıncı: Bitlis Eren University

Dergi: Bitlis Eren University Journal of Science and Technology 2021 Vol.11 Issue 2, pp.87-90

Belge Tipi: Makale

Yayın Tarihi: 12/2021

Belge Dili: İngilizce

Document ID (Org No.): 2000887793

Sıklık: İki Yıllık

eISSN: 2146-7706

DOI: https://doi.org/10.17678/beuscitech.1018226

Sayı

Yazarlar:

Fatih Ahmet ÇELİK

Yayıncı:

Bitlis Eren University

Dergi:

Bitlis Eren University Journal of Science and Technology 2021 Vol.11 Issue 2, pp.87-90

Belge Tipi:

Makale

Yayın Tarihi:

12/2021

Belge Dili:

İngilizce

Document ID (Org No.):

2000887793

Sıklık:

İki Yıllık

eISSN:

2146-7706

DOI:

https://doi.org/10.17678/beuscitech.1018226