Molecular dynamics study of a thermal expansion coefficient: Ti bulk with an elastic minimum image method

Hundur Y., HIPPLER R., GUVENC Z.

CHINESE PHYSICS LETTERS, cilt.23, sa.5, ss.1068-1071, 2006 (SCI-Expanded) identifier identifier

  • Yayın Türü: Makale / Tam Makale
  • Cilt numarası: 23 Sayı: 5
  • Basım Tarihi: 2006
  • Doi Numarası: 10.1088/0256-307x/23/5/002
  • Dergi Adı: CHINESE PHYSICS LETTERS
  • Derginin Tarandığı İndeksler: Science Citation Index Expanded (SCI-EXPANDED), Scopus
  • Sayfa Sayıları: ss.1068-1071
  • İstanbul Teknik Üniversitesi Adresli: Evet

Özet

Linear thermal expansion coefficient (TEC) of Ti bulk is investigated by means of molecular dynamics simulation. The elastic minimum image convention of periodic boundary conditions is introduced to allow the bulk to adjust its size according to the new fixed temperature. The TEC and the specific heat of Ti are compared to the available theoretical and experimental data.