We present the current status of a large-scale computing framework to address the need of the multidisciplinary effort to study chemical dynamics. Specifically, we are enabling scientists to process and store experimental data, run large-scale computationally expensive high-fidelity physical simulation, and analyze these results using the state-of-the-art data analytics tools, machine learning, and uncertainty quantification methods using heterogeneous computing resources, such as CPU and GPU cluster. The framework can integrate or abstract out multiple domains based on roles. In order to develop this framework, we have leveraged an existing framework coupled with in-house heterogeneous computing resources. We present the results of using this framework on a single metadata triggered workflow to accelerate an additive manufacturing use case.

heterogeneous computing, hpc, workflows, reproduci↗

DOE OSTI2020

Composition measurements of the quenched, high-chromium matrix glasses

In this report, the Savannah River National Laboratory provides analyses of glass compositions for a series of simulated Direct Feed High-Level Waste glasses fabricated at the Pacific Northwest National Laboratory. The series included quenched versions of the glasses. These data will be used in the development of improved property/composition models for waste vitrification at Hanford.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2020

Characterization of Hanford LAW phase 3 glasses. Revision 2

This report provides analyses of glass compositions, wash solution compositions, and Product Consistency Test (PCT) leachate compositions for a series of simulated low-activity waste (LAW) glasses fabricated at the Pacific Northwest National Laboratory (PNNL). These data will be used in the development of improved property/composition models for LAW glass at Hanford.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗