Document Type

Student Presentation

Presentation Date

3-31-2021

College

College of Arts and Sciences
College of Engineering

Department

Department of Mathematics
Department of Computer Science

Faculty Mentor

Eric Jankowski, Ph.D.

Abstract

GIXStapose helps materials simulators reproducibly generate figures involving diffraction patterns and atomic coordinates. Used interactively, GIXStapose allows real-space coordinates of atoms to be rotated, juxtaposing grazing incidence X-ray scattering (GIXS) patterns from the atoms™ orientation. GIXStapose provides tools for writing and reading the rotation matrices used to generate a specific orientation of a system, allowing researchers to recall and interact with a specific figure (e.g., Might we see additional reflections if that figure were rotated 90 degrees about the y-axis?). Used as a python library, these features facilitate reproducible figure creation and analysis.

Funding Statement

This material is based upon work supported by the National Science Foundation under Grant No. 1835593.

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