{"paper":{"title":"Preferential site occupancy of alloying elements in TiAl-based phases","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","headline":"","cross_cats":[],"primary_cat":"cond-mat.mtrl-sci","authors_text":"David Holec, Helmut Clemens, Rajeev K. Reddy, Thomas Klein","submitted_at":"2015-12-23T19:50:20Z","abstract_excerpt":"First principles calculations are used to study the preferential occupation of ternary alloying additions into the binary Ti-Al phases, namely $\\gamma$-TiAl, $\\alpha_2$-Ti$_3$Al, $\\beta_{\\mathrm{o}}$-TiAl, and B19-TiAl. While the early transition metals (TMs, group IVB, VB , and VIB elements) prefer to substitute for Ti atoms in the $\\gamma$-, $\\alpha_2$-, and B19-phases, they preferentially occupy Al sites in the $\\beta_{\\mathrm{o}}$-TiAl. Si is in this context an anomaly, as it prefers to sit on the Al sublattice for all four phases. B and C are shown to prefer octahedral Ti-rich interstitia"},"claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"1512.07601","kind":"arxiv","version":2},"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"}