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Main Authors: Liu, Huanrong, Li, Qingan, Zhang, Shan, Su, Rui, Wang, Yunjiang, Guan, Pengfei
Format: Preprint
Published: 2025
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Online Access:https://arxiv.org/abs/2512.20196
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author Liu, Huanrong
Li, Qingan
Zhang, Shan
Su, Rui
Wang, Yunjiang
Guan, Pengfei
author_facet Liu, Huanrong
Li, Qingan
Zhang, Shan
Su, Rui
Wang, Yunjiang
Guan, Pengfei
contents Enhancing the kinetic stability of glasses often necessitates deepening thermodynamic stability, which typically compromises ductility due to increased structural rigidity. Decoupling these properties remains a critical challenge for functional applications. Here, we demonstrate that pattern engineering in metallic glasses (MGs) enables unprecedented kinetic ultrastability while retaining thermodynamic metastability and intrinsic plasticity. Through atomistic simulations guided by machine-learning interatomic potentials and replica-exchange molecular dynamics, we reveal that clustering oxygen contents, driven by reaction-diffusion-coupled pattern dynamics, act as localized pinning sites. These motifs drastically slow structural relaxation, yielding kinetic stability comparable to crystal-like ultrastable glasses while retaining an energetic as-cast state. Remarkably, the thermodynamically metastable state preserves heterogeneous atomic mobility, allowing strain delocalization under mechanical stress. By tailoring oxygen modulation via geometric patterning, we achieve an approximately 200 K increase in the onset temperature of the glass transition (Tonset) while maintaining fracture toughness akin to conventional MGs. This work establishes a paradigm of kinetic stabilization without thermodynamic compromise, offering a roadmap to additively manufacture bulk amorphous materials with combined hyperstability and plasticity.
format Preprint
id arxiv_https___arxiv_org_abs_2512_20196
institution arXiv
publishDate 2025
record_format arxiv
spellingShingle Turing Pattern Engineering Enables Kinetically Ultrastable yet Ductile Metallic Glasses
Liu, Huanrong
Li, Qingan
Zhang, Shan
Su, Rui
Wang, Yunjiang
Guan, Pengfei
Materials Science
Enhancing the kinetic stability of glasses often necessitates deepening thermodynamic stability, which typically compromises ductility due to increased structural rigidity. Decoupling these properties remains a critical challenge for functional applications. Here, we demonstrate that pattern engineering in metallic glasses (MGs) enables unprecedented kinetic ultrastability while retaining thermodynamic metastability and intrinsic plasticity. Through atomistic simulations guided by machine-learning interatomic potentials and replica-exchange molecular dynamics, we reveal that clustering oxygen contents, driven by reaction-diffusion-coupled pattern dynamics, act as localized pinning sites. These motifs drastically slow structural relaxation, yielding kinetic stability comparable to crystal-like ultrastable glasses while retaining an energetic as-cast state. Remarkably, the thermodynamically metastable state preserves heterogeneous atomic mobility, allowing strain delocalization under mechanical stress. By tailoring oxygen modulation via geometric patterning, we achieve an approximately 200 K increase in the onset temperature of the glass transition (Tonset) while maintaining fracture toughness akin to conventional MGs. This work establishes a paradigm of kinetic stabilization without thermodynamic compromise, offering a roadmap to additively manufacture bulk amorphous materials with combined hyperstability and plasticity.
title Turing Pattern Engineering Enables Kinetically Ultrastable yet Ductile Metallic Glasses
topic Materials Science
url https://arxiv.org/abs/2512.20196