Predicting complex relaxation processes in metallic glass

Y Sun, SX Peng, Q Yang, F Zhang, MH Yang… - Physical Review Letters, 2019 - APS
Relaxation processes significantly influence the properties of glass materials. However,
understanding their specific origins is difficult; even more challenging is to forecast them …

[HTML][HTML] Theoretical search for possible Li–Ni–B crystal structures using an adaptive genetic algorithm

R Wang, Y Sun, V Gvozdetskyi, X Zhao… - Journal of Applied …, 2020 - pubs.aip.org
The structural diversity of rare-earth and transition metal borides indicates that alkali-
transition metal borides (ATB) show tremendous promise in exhibiting a variety of crystal …

Phase selection in aluminum rare-earth metallic alloys by molecular dynamics simulations using machine learning interatomic potentials

L Tang, MJ Kramer, KM Ho, CZ Wang - Physical Review Materials, 2023 - APS
Aluminum rare-earth (Al-RE) metallic alloys and glasses with Al-rich compositions have
attracted much attention owing to their high strength-to-weight ratio and superior thermal …

Unveiling the medium-range order in glass models and its role in glass formation

X Fan, Y Sun, CZ Wang, KM Ho, MS Altman, L Huang - Physical Review B, 2020 - APS
The correlation between structure and glass formability in glassy systems is a long-standing
puzzle. To solve this puzzle, many descriptors based on the short-range order (SRO) have …

Molecular Dynamics Study of Mechanism of Solid–Liquid Interface Migration and Defect Formation in Al3Sm Alloy

H Song, MI Mendelev - JOM, 2021 - Springer
Abstract We developed a Finnis–Sinclair potential suitable for molecular dynamics (MD)
simulation of solidification of Al3Sm alloy. The MD simulation showed a layer-by-layer solid …

Unveiling the mechanism of phase and morphology selections during the devitrification of Al-Sm amorphous ribbon

F Meng, Y Sun, F Zhang, B Da, CZ Wang… - Physical Review …, 2021 - APS
The complex interplay between energetic and kinetic factors that governs the phase and
morphology selections can originate at the earliest stage of crystallization in the amorphous …

A Genetic Algorithmic Approach to Determine the Structure of Li–Al Layered Double Hydroxides

J Roberts, Y Song, M Crocker… - Journal of Chemical …, 2020 - ACS Publications
Layered double hydroxides (LDH) demonstrate significant potential across a range of
applications, including as catalysts, delivery vehicles for pharmaceuticals, environmental …

Investigation of partitionless growth of ε-Al60Sm11 phase in Al-10 at% Sm liquid

Y Sun, Z Ye, F Zhang, ZJ Ding, CZ Wang… - … and Simulation in …, 2017 - iopscience.iop.org
Recent experiments on devitrification of Al 90 Sm 10 amorphous alloys revealed an unusual
polymorphic transformation to a complex cubic crystal structure called the ε-Al 60 Sm 11 …

An abnormal meta-stable nanoscale eutectic reaction revealed by in-situ observations

L Zhou, F Meng, S Zhou, K Sun, TH Kim, R Ott… - Acta Materialia, 2019 - Elsevier
Phase selection and growth of materials far from equilibrium provides fertile ground for novel
phases and morphologies since a multitude of different pathways may be energetically …

Competitive devitrification and metastable phase selection in amorphous Al–Sm

FQ Meng, SH Zhou, RT Ott, MJ Kramer, RE Napolitano - Materialia, 2020 - Elsevier
Competitive phase selection during devitrification of Al–Sm glassy alloys is investigated for
compositions ranging from 9.0 to 14.1 at% Sm. The crystallization response under …