Evaluation of structure and transport properties of Ni-B glass melts

Abstract

Lebowitz's solution of C⁰_ij(r) for binary mixtures with a square-well attractive tail is applied to compute three partial structure factors S₁₁(k), S₂₂(k), and S₁₂(k) of NiB glass melts. The total structure factors obtained from these partial structure factors are found to be in excellent agreement with experimental results. The isothermal compressibilities of these melts are calculated from the partial structure factors in the long-wave limit through the Kirkwood-Buff equation. An estimate of the Bhatia-Thornton structure factors is made. The linear trajectory principle due to Helfand is utilised to calculated the diffusion coefficients of the NiB glass melts. It may be pointed out that this is perhaps the first application of Lebowitz's equations to glassy materials.