21 citations · 78 across the 5 of their papers we have counts for
5 papers
Cluster Expansion of Electronic Excitations: Application to fcc Ni-Al Alloys
H. Y. Geng, M. H. F. Sluiter, N. X. Chen
The cluster expansion method is applied to electronic excitations and a set of effective cluster density of states (ECDOS) are defined, analogous to effective cluster interactions…
Order-disorder Effects on Equation of State in FCC Ni-Al Alloys
H. Y. Geng, M. H. F. Sluiter, N. X. Chen
Order-disorder effects on equation of state (EOS) properties of substitutional binary alloys are investigated with the cluster variation method (CVM) based on ab initio effective c…
Hybrid expansions for local structural relaxations
H. Y. Geng, M. H. F. Sluiter, N. X. Chen
A model is constructed in which pair potentials are combined with the cluster expansion method in order to better describe the energetics of structurally relaxed substitutional all…
Shock Induced Order-disorder Transformation in Ni3Al
H. Y. Geng, N. X. Chen, M. H. F. Sluiter
The Hugoniot of Ni3Al with L12 structure is calculated with an equation of state (EOS) based on a cluster expansion and variation method from first principles. It is found that an…
First-principles equation of state and phase stability for the Ni-Al system under high pressures
H. Y. Geng, N. X. Chen, M. H. F. Sluiter
The equation of state (EOS) of alloys at high pressures is generalized with the cluster expansion method. It is shown that this provides a more accurate description. The low temper…