{"paper":{"title":"Excess Volume at Grain Boundaries in hcp Metals","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","headline":"","cross_cats":[],"primary_cat":"cond-mat.mtrl-sci","authors_text":"J. L. Cao, W. T. Geng","submitted_at":"2016-10-29T11:59:01Z","abstract_excerpt":"The excess volume associated with grain boundaries represents a key structural parameter for the characterization of grain boundaries. It plays a critical role in segregation of impurity and alloy elements to grain boundaries, and influences significantly the mechanical and functional properties of materials. We have carried out first-principles density functional calculations on the atomic structure of the (10-12) coherent twin boundary in hexagonal close packed (hcp) Ti and Zr and the basal-prismatic boundary in Zn, Cd, and Zr. We find the calculated excess volume has a vanishing magnitude a"},"claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"1610.09494","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"}