Can the Lennard-Jones solid be expected to be fcc?
- 2 December 1991
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review Letters
- Vol. 67 (23) , 3263-3266
- https://doi.org/10.1103/physrevlett.67.3263
Abstract
The structure of the Lennard-Jones solid, obtained by molecular-dynamics simulation of crystallization in the supercooled liquid, may be fcc, although the hcp structure is energetically more favorable. This could derive from the cubic symmetry of the fcc lattice, allowing lattice defects that are not possible in the hcp arrangement, but are essential to crystal growth in the simulated liquid. Two crossing stacking faults in a small fcc crystallite can produce nonvanishing, growth-promoting, but stacking-fault-resisting, surface steps.Keywords
This publication has 13 references indexed in Scilit:
- Molecular dynamics investigation of deeply quenched liquidsThe Journal of Chemical Physics, 1990
- Crystallization of fcc (111) and (100) crystal-melt interfaces: A comparison by molecular dynamics for the Lennard-Jones systemThe Journal of Chemical Physics, 1988
- Crystallization and glass formation processes in liquid sodium: A molecular dynamics studyThe Journal of Chemical Physics, 1987
- Noncrystalline structure of argon clusters. II. Multilayer icosahedral structure of ArN clusters 50<N<750The Journal of Chemical Physics, 1986
- Isothermal–isobaric computer simulations of melting and crystallization of a Lennard-Jones systemThe Journal of Chemical Physics, 1986
- Molecular dynamics investigation of homogeneous nucleation for inverse power potential liquids and for a modified Lennard-Jones liquidThe Journal of Chemical Physics, 1984
- Interaction potentials and their effect on crystal nucleation and symmetryThe Journal of Chemical Physics, 1979
- Crystal Structures and Intermolecular Forces of Rare GasesJournal of the Physics Society Japan, 1952
- The growth of crystals and the equilibrium structure of their surfacesPhilosophical Transactions of the Royal Society of London. Series A, Mathematical and Physical Sciences, 1951
- The influence of dislocations on crystal growthDiscussions of the Faraday Society, 1949