|About this Abstract
||2017 TMS Annual Meeting & Exhibition
||Bulk Metallic Glasses XIV
||Accurate Peak Prediction of Pair Correlation Functions in Metallic Glasses
||Jun Ding, Mark Asta, Robert Ritchie
|On-Site Speaker (Planned)
Pair correlation functions (PCFs) have been widely utilized to characterize the internal structure of metallic glasses. This type of structural characterization exhibits several advantages, especially since PCFs can be readily extracted from measurements like neutron scattering or x-ray powder diffraction. Here we introduce a novel algorithm to accurately predict the peak positions of both total and partial PCFs beyond short-range length scales in metallic glasses, which is validated by molecular dynamics simulations for several model metallic glass systems. Further, the link between the PCF peaks and glass-forming ability are extensively studied in a wide range of Cu-Zr model metallic glasses by molecular dynamics simulation. We reveal such a novel structural signature underlying the glass-forming ability of metallic glasses, which we anticipate will be highly useful for guiding the development and application of those advanced structural alloys. This work was supported by DoE-BES-DMSE, under Contract No. DE-AC02-05CH11231.
||Planned: Supplemental Proceedings volume