{"paper":{"title":"Numerical computation of shape factor for pair distribution function of nanoparticles using atomistic model","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","headline":"","cross_cats":["cond-mat.mes-hall","cond-mat.other","physics.comp-ph"],"primary_cat":"cond-mat.mtrl-sci","authors_text":"Cheuk-Wai Tai, Dung-Trung Tran, Gunnar Svensson","submitted_at":"2016-02-25T20:40:03Z","abstract_excerpt":"The atomic pair distribution function (PDF) for nano-particles has to be corrected with a shape factor, also known as form factor, in order to take size and shape effects into consideration. For most anisotropic shapes an analytical formulation of the shape factor is a challenge. In this paper, we present a new method to numerically compute the shape factor using atomistic model. This numerical method to calculate PDF for a wide range of geometrical shapes is demonstrated. In addition, a fitting formulation, which effectively converts the numerical shape factors for some selected geometrical s"},"claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"1602.08078","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"}