Correlated atomic motions in liquid aluminum
Abstract
The statics and dynamics of liquid Al just above the melting point were studied using simulation calculations in the range of small times (less than 10(12) s) and small distances (less than 1 nm). The static calculations for 500 atoms were performed using the Monte Carlo method and an interaction potential from the literature; for the timedependent investigations the molecular dynamics with equal input data was used. It is shown that liquid Al in the qdomain around 15 1/nm can be considered as an harmonic, amorphous system. Excitation spectra in the static case were calculated as eigenvalue spectra of the coupling matrix and composed with results from molecular dynamics. The dynamic calculations show that the longitudinal motion suggests cluster oscillations, while in the transversal part the diffusion behavior, expected for longer times, is already visible in the considered domain of small times.
 Publication:

Ph.D. Thesis
 Pub Date:
 1988
 Bibcode:
 1988PhDT........31M
 Keywords:

 Aluminum;
 Atomic Interactions;
 Autocorrelation;
 Liquid Metals;
 Statistical Correlation;
 Amorphous Materials;
 Digital Simulation;
 Molecular Excitation;
 Monte Carlo Method;
 Atomic and Molecular Physics