Development of Software Framework for X-Ray Optics Simulation and Modeling

The accelerator light source community has developed a library of well-validated numerical tools for studying X-ray generation from spontaneous emission. Many of these use approximate techniques, which may neglect key physics. It is therefore necessary to develop a complete framework for start-to-end modeling with a user-friendly interface. RadiaSoft LLC, in collaboration with Brookhaven National Laboratory, will develop an open-source Python framework around the Synchrotron Radiation Workshop (SRW). This tool will be available in the cloud, with support for existing beamlines at light sources from around the world. IPython notebooks will be used to leverage existing scientific libraries, and to provide a user-friendly interface for customers who are not experts in X-ray optics. We successfully containerized SRW for the cloud. We also added a number of physical modules and algorithmic improvements to the SRW library. Finally, we developed an IPython prototype, with simple GUI features, for start-to-end simulations of the CHX beamline at NSLS-II. In Phase II, we will make SRW more available to the open source community and further expand its library of supported optics. We will also develop the commercial infrastructure required for running IPython-based virtual X-ray beamlines in the cloud. COMMERCIAL APPLICATIONS AND OTHER BENEFITS: By making SRW available for subscription-based use in the cloud, RadiaSoft will provide a reliable, accurate, easy-to-use simulation tool for the users at the over 40 synchrotron radiation facilities across the world. This will help fields ranging from crystallography to chemistry to materials science.