Monte-Carlo Simulation of Phenomena Occurring at the Solid Graphite/Fe–C Melt Interface

✍ Scribed by R. Khanna; V. Sahajwalla

• Publisher: John Wiley and Sons
• Year: 1999
• Tongue: English
• Weight: 360 KB
• Volume: 213
• Category: Article
• ISSN: 0370-1972
• DOI: 10.1002/(sici)1521-3951(199905)213:1<47::aid-pssb47>3.0.co;2-r

✦ Synopsis

We report a Monte-Carlo simulation study of solid graphite/Fe±C melt interface at high temperatures. Atoms were arranged on a hexagonal lattice with pair-wise short-range interactions. Simulations in the canonical ensemble were carried out as a function of temperature, carbon content of the melt and interface orientation. Mass transfer between the solid and the liquid was found to be one of the main reactions at the interface. Carbon movement was hindered at low temperatures by strong C±C bonds in the basal planes of graphite. The interface width on the solid side was found to be smaller than one on the melt side and decreased with increasing C content of the melt. The carbon concentration in the melt also affected the graphite dissolution rate in the initial stages but had very little effect later on. These preliminary results follow the trends in experimental data and can be explained in terms of driving force considerations.