On the double structure of the crystal-melt transition layer: Density functional analysis of a (111) fcc crystal-melt interface

A comparison of the fcc(111) and (100) c

A comparison of the fcc(111) and (100) crystal-melt interfaces by molecular dynamics simulation

✍ Jeremy Q. Broughton; Farid F. Abraham 📂 Article 📅 1980 🏛 Elsevier Science 🌐 English ⚖ 327 KB

The molecular dynamics nmulatxm technique 1s employed to study the fee (100) and ( 111) crystal-melt mterfaces of a s) stem of Lennard-Jones atoms near the triple--pomt. A comparison of the stiucture and thermodynamics of the two mterfaces results in a simple picture concernmg the role of crystal on