{"paper":{"title":"Total-energy-based prediction of a quasicrystal structure","license":"","headline":"","cross_cats":[],"primary_cat":"cond-mat","authors_text":"Bratislava, Carnegie Mellon University), C.L. Henley (Department of Physics, Cornell University), E. Cockayne (Ceramics Division, Germany, I. Al-Lehyani(Department of Physics, Institute of Physics, J.A. Moriarty (Lawrence Livermore National Laboratory), M. Mihalkovi\\v{c}(Institute fur Physik, M. Widom(Department of Physics, NIST), N. Moghadam (Oak Ridge National Laboratory), Slovak Academy of Sciences, Slovakia), Technische Universit\\\"at Chemnitz, Y. Wang (Pittsburgh Supercomputer Center)","submitted_at":"2001-02-05T17:50:08Z","abstract_excerpt":"Quasicrystals are metal alloys whose noncrystallographic symmetry and lack of structural periodicity challenge methods of experimental structure determination. Here we employ quantum-based total-energy calculations to predict the structure of a decagonal quasicrystal from first principles considerations. We employ Monte Carlo simulations, taking as input the knowledge that a decagonal phase occurs in Al-Ni-Co near a given composition, and using a few features of the experimental Patterson function. The resulting structure obeys a nearly deterministic decoration of tiles on a hierarchy of lengt"},"claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"cond-mat/0102085","kind":"arxiv","version":3},"verdict":{"id":null,"model_set":{},"created_at":null,"strongest_claim":"","one_line_summary":"","pipeline_version":null,"weakest_assumption":"","pith_extraction_headline":""},"references":{"count":0,"sample":[],"resolved_work":0,"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57","internal_anchors":0},"formal_canon":{"evidence_count":0,"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"author_claims":{"count":0,"strong_count":0,"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"builder_version":"pith-number-builder-2026-05-17-v1"}