Two-phase solid–liquid coexistence of Ni, Cu, and Al by molecular dynamics simulations using the modified embedded-atom method

Solidification in a Supercomputer: From Crystal Nuclei to Dendrite Assemblages

“…This is in agreement with the information Table I. Thermodynamic and kinetic parameters estimated from molecular dynamics simulations [41][42][43][44][45][46][47][48][49] Element (potential) 46b Sun et al 45c Asadi et al 48d Asta et al 42e Hoyt et al 41f Hoyt et al 44g Hashimoto et al 47h Asadi et al 49i Morris 43 . in Table I, in which the kinetic coefficient of the h100i direction is larger than that of the h110i direction.…”

“…The estimated values of these properties in representative papers [41][42][43][44][45][46][47][48][49] are summarized in Table I. As can be seen in the table, the kinetic coefficient of the bcc h100i orientation is slightly higher than those of the h110i and h100i orientations in general.…”

“…[41][42][43][44][45][46][47][48][49] In particular, the anisotropy in the interfacial parameters is a key factor determining the morphology of dendrite structures, although there are few reliable experimental values for the degree of anisotropy in the interfacial parameters. Therefore, an important role of molecular dynamics simulations is to provide interfacial parameters estimated from atomic-scale information for use in mesoscale simulations, which is a basic concept of multiscale modeling.…”

Recent Advances in Study of Solid-Liquid Interfaces and Solidification of Metals

“…It basically determines the nano-and microstructures and the resultant properties of manufactured materials. Understanding the solid-liquid behavior and determining solid-liquid interface properties [9][10][11] are essential steps towards predicting the nano-and microstructure patterns. It is clear that further fundamental computational and experimental studies are required in order to acquire enough information on solid-liquid properties for different material systems (e.g., alloys).…”

A Molecular Dynamics Study of Partitionless Solidification and Melting of Al–Cu Alloys

“…solid-liquid interfacial energy including the anisotropy in several metals, e.g., Ni, [22][23][24][25] Cu, 23,24) Au, 26) Ag, 24,26) Al, 23,24) Pb 23,24,27) and Fe [28][29][30] as well as the model system such as hard-sphere 31) and Lennard-Jones systems. 32) Importantly, the kinetic coefficients were studied for several physical systems characterized by different interatomic potentials such as Lennard-Jones potential, 33,34) embedded atom method (EAM), 26,28,35) Finnis-Sinclair (FS) potential 30) and hard-sphere model.…”