Showing 2002Show all
2 papers · 1 filter
cond-mat2002
Tile Hamiltonians for Decagonal Phases
M. Widom, I. Al-Lehyani, M. Mihalkovic
A tile Hamiltonian (TH) replaces the actual atomic interactions in a quasicrystal with effective interactions between and within tiles. We study Al-Co-Ni and Al-Co-Cu decagonal qua…
cond-mat2002
Total-energy-based structure prediction for d(AlNiCo)
Christopher L. Henley, Marek Mihalkovic, Michael Widom
One may predict a quasicrystal structure starting from electrons and quantum mechanics, as approximated by interatomic pair potentials calibrated with ab-initio total-energy calcul…