TY - RPRT TI - Model Parameter Development for Complex Materials: Species-Specific Diffusion Barriers in 316 Stainless Steel from Systematic DFT Calculations AU - Muller, Scott E. [Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)] AU - Barker, Erin I. [Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)] AU - Hilty, Floyd W. [Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)] AU - Nwe, Kathy [Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)] (ORCID:0000000333337673) AU - Nguyen, Julia H. [Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)] AU - Bonilla, Emmanuel [Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)] PY - 2026 DO - 10.2172/3021337 UR - https://www.osti.gov/biblio/3021337 ID - 3021337 ER -