CALCULATION OF THE BULK MODULUS OF A LIQUID-METAL USING THE PRESSURE-FLUCTUATIONS IN A MICROCANONICAL ENSEMBLE AND A NUMERICAL APPLICATION TO LIQUID ALUMINUM

From standard formulae of statistical mechanics the authors derive a formula for the bulk modulus and the thermal pressure coefficient of a liquid which is valid for an effective ionic interaction potential and which depends not only on the atomic distances but also on the volume, and in this respect generalises formulae derived by Cheung. A derivation of the related formula for the specific heat given earlier by Lebowitz and co-workers (1967) is added. The formula for the bulk modulus is applied to aluminium and gives satisfactory agreement with experiments and other methods used by us to calculate this quantity.