Open Access. Powered by Scholars. Published by Universities.®

Physics Commons

Open Access. Powered by Scholars. Published by Universities.®

Articles 1 - 2 of 2

Full-Text Articles in Physics

Composition-Dependent Stability Of The Medium-Range Order Responsible For Metallic Glass Formation, Feng Zhang, Min Ji, Xiao-Wei Fang, Yang Sun, Cai-Zhuang Wang, Mikhail I. Mendelev, Matthew J. Kramer, Ralph E. Napolitano, Kai-Ming Ho Aug 2019

Composition-Dependent Stability Of The Medium-Range Order Responsible For Metallic Glass Formation, Feng Zhang, Min Ji, Xiao-Wei Fang, Yang Sun, Cai-Zhuang Wang, Mikhail I. Mendelev, Matthew J. Kramer, Ralph E. Napolitano, Kai-Ming Ho

Ralph E. Napolitano

The competition between the characteristic medium-range order corresponding to amorphous alloys and that in ordered crystalline phases is central to phase selection and morphology evolution under various processing conditions. We examine the stability of a model glass system, Cu–Zr, by comparing the energetics of various medium-range structural motifs over a wide range of compositions using first-principles calculations. We focus specifically on motifs that represent possible building blocks for competing glassy and crystalline phases, and we employ a genetic algorithm to efficiently identify the energetically favored decorations of each motif for specific compositions. Our results show that a Bergman-type motif ...


A Computational Study Of Diffusion In A Glass-Forming Metallic Liquid, T. Wang, F. Zhang, L. Yang, X. W. Fang, S. H. Zhou, Matthew J. Kramer, Cai-Zhuang Wang, Kai-Ming Ho, Ralph E. Napolitano Aug 2019

A Computational Study Of Diffusion In A Glass-Forming Metallic Liquid, T. Wang, F. Zhang, L. Yang, X. W. Fang, S. H. Zhou, Matthew J. Kramer, Cai-Zhuang Wang, Kai-Ming Ho, Ralph E. Napolitano

Ralph E. Napolitano

Liquid phase diffusion plays a critical role in phase transformations (e.g. glass transformation and devitrification) observed in marginal glass forming systems such as Al-Sm. Controlling transformation pathways in such cases requires a comprehensive description of diffusivity, including the associated composition and temperature dependencies. In the computational study reported here, we examine atomic diffusion in Al-Sm liquids using ab initio molecular dynamics (AIMD) and determine the diffusivities of Al and Sm for selected alloy compositions. Non-Arrhenius diffusion behavior is observed in the undercooled liquids with an enhanced local structural ordering. Through assessment of our AIMD result, we construct a general ...