{"paper":{"title":"Estimates of bond length and thermal expansion coefficients from x-ray scattering experimental data using reverse Monte Carlo simulations","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","headline":"","cross_cats":["cond-mat.soft"],"primary_cat":"cond-mat.mtrl-sci","authors_text":"K. F. Kelton, R. Ashcraft","submitted_at":"2018-10-21T03:22:55Z","abstract_excerpt":"The previously discussed anomalous behavior (i.e. negative) of the thermal expansion coefficient obtained from the pair correlation function is examined in the context of the nearest-neighbor distance (bond length) distribution. The bond length distribution is obtained from a Voronoi tessellation analysis of the atomic structures obtained from both reverse Monte Carlo simulations of x-ray scattering data and molecular dynamics simulations. When a robust measure of central tendency (mean or median) is used a positive thermal expansion is obtained from the temperature-dependent bond length that "},"claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"1810.08889","kind":"arxiv","version":1},"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"}