Crack dynamics in brittle fracture: An atomistic study
Farid F. Abraham
Nuclear Instruments and Methods in Physics Research, Section B: Beam Interactions with Materials and Atoms
Gibbs free energies were calculated for the gas phase reaction: ion(H 2O)N-1 + H2O(vapour) = ion(H 2O)N for the Li+, Na+, K +, Cl-, and F- ions and for N = 1 to 6. The Monte Carlo method was used to evaluate the appropriate classical expressions of statistical mechanics by employing the intermolecular potential functions recently developed from ab initio Hartree-Fock calculations. Enthalpies and structural information were also calculated. Agreement with experiment is sufficiently good to demonstrate the feasibility of this approach.
Farid F. Abraham
Nuclear Instruments and Methods in Physics Research, Section B: Beam Interactions with Materials and Atoms
Jeremy Q. Broughton, Farid F. Abraham
Journal of Crystal Growth
Matthias Schöbinger, Farid F. Abraham
Physical Review B
Jeremy Q. Broughton, Farid F. Abraham
Journal of Physical Chemistry