Showing papers by "Aneesur Rahman published in 1985"
TL;DR: Using a flexible version of a rigid-molecule model of water, the velocity autocorrelation functions are analyzed to investigate the effect of the liquid milieu on the high-frequency internal modes of molecular motion.
Abstract: Using a flexible version of a rigid-molecule model of water we have analyzed the velocity autocorrelation functions to investigate the effect of the liquid milieu on the high-frequency internal modes of molecular motion. The calculations have been made at 1 g ${\mathrm{cm}}^{\mathrm{\ensuremath{-}}3}$ and at 250, 325, and 375 K. Good agreement with experimentally determined pair correlations has also been found.
685 citations
TL;DR: The epitaxial growth of a Lennard-Jones system is studied as a function of substrate temperature T/sub s/ and deposition rate and for all substrate temperatures the growth is into well-ordered layers.
Abstract: The epitaxial growth of a Lennard-Jones system is studied as a function of substrate temperature ${T}_{s}$ and deposition rate. For all substrate temperatures the growth is into well-ordered layers. Layers become fully completed at intermediate ${T}_{s}$. At very low ${T}_{s}$ the layers contain defects and voids; however, the atoms are still arranged in close-packed islands within the layers.
104 citations
TL;DR: By using a fluctuation formula involving the internal stress tensor it is possible to calculate the elastic constants at the ambient temperature with ease and accuracy and when the system is subjected to an arbitrary external stress.
Abstract: We have performed molecular dynamics calculations for a crystalline system in equilibrium to show that by using a fluctuation formula involving the internal stress tensor it is possible to calculate the elastic constants at the ambient temperature with ease and accuracy. The method also allows one to calculate the elastic constants when the system is subjected to an arbitrary external stress.
99 citations
TL;DR: A Comment on the Letter by S. Williamson, G. Morou, J. C. Li and M. M. Li to the editor of the British Journal of Sports Medicine.
Abstract: A Comment on the Letter by S. Williamson, G. Morou, J. C. M. Li, Phys. Rev. Lett. 52, 2364 (1985).
4 citations