SLADS: a parallel code for direct simulations of scattering of large anisotropic dense nanoparticle systems. Issue 3 (13th April 2017)

• Record Type: Journal Article
• Authors: Chen, Sen; E, Juncheng; Luo, Sheng-Nian
• Is Part Of: Journal of applied crystallography. Volume 50:Issue 3(2017)
• Page Start: 951
• Page End: 958
• Publication Date: 2017-04-13
• Subjects: small‐angle X‐ray scattering -- SAXS -- direct simulation -- anisotropy -- nanoparticle systems -- computer programs; Crystallography -- Periodicals; 548.05
• DOI: 10.1107/S1600576717004162
• Languages: English
• ISSNs: 0021-8898

Abstract

Abstract : SLADS is a parallel code for direct simulations of single‐shot X‐ray scattering of large anisotropic dense nanoparticle systems of arbitrary species and atomic configurations. Particles can be of arbitrary shapes and dispersities, and interactions between particles are considered. Abstract : SLADS (http://www.pims.ac.cn/Resources.html ), a parallel code for direct simulations of X‐ray scattering of large anisotropic dense nanoparticle systems of arbitrary species and atomic configurations, is presented. Particles can be of arbitrary shapes and dispersities, and interactions between particles are considered. Parallelization is achieved in real space for the sake of memory limitation. The system sizes attempted are up to one billion atoms, and particle concentrations in dense systems up to 0.36. Anisotropy is explored in terms of superlattices. One‐ and two‐dimensional small‐angle scattering or diffraction patterns are obtained. SLADS is validated self‐consistently or against cases with analytical solutions.