Determination of effect of hydrogen on strength of aluminum by MD simulation


Tigli A., Sahin H., Dizdar K. C., Dışpınar D.

APPLIED PHYSICS A-MATERIALS SCIENCE & PROCESSING, cilt.128, sa.9, 2022 (SCI-Expanded) identifier identifier

  • Yayın Türü: Makale / Tam Makale
  • Cilt numarası: 128 Sayı: 9
  • Basım Tarihi: 2022
  • Doi Numarası: 10.1007/s00339-022-05981-4
  • Dergi Adı: APPLIED PHYSICS A-MATERIALS SCIENCE & PROCESSING
  • Derginin Tarandığı İndeksler: Science Citation Index Expanded (SCI-EXPANDED), Scopus, Academic Search Premier, Aerospace Database, Chemical Abstracts Core, Chimica, Communication Abstracts, Compendex, INSPEC, Metadex
  • Anahtar Kelimeler: Molecular dynamic, Hydrogen effect, Dislocation density, Grain effect, Diffusion, REDUCED PRESSURE TEST, OXIDE-FILM DEFECTS, MECHANICAL-PROPERTIES, COMMERCIAL PURITY, POROSITY, FRACTURE
  • İstanbul Teknik Üniversitesi Adresli: Evet

Özet

The determination of types of defects that may be present in aluminum alloys has been a long-going discussion. Porosity has been held responsible for many of the failures in cast aluminum alloys. Due to the dramatic decrease in the solubility of hydrogen from liquid to solid aluminum, hydrogen is believed to be released from the solidification front and nucleate to form porosity. In this work, the diffusivity of hydrogen at different temperatures were investigated by means of Molecular Dynamic (MD) simulations. Dislocation density, crystal lattice deformation, and related changes in the tensile properties were determined in the presence of hydrogen for mono and nanocrystalline aluminum structures. The findings were correlated with the experimental and simulation data found in the literature where different tensile results were reported at different casting conditions.