From mechanism-based to data-driven approaches in materials science

S Hiemer, S Zapperi - Materials Theory, 2021 - Springer
A time-honored approach in theoretical materials science revolves around the search for
basic mechanisms that should incorporate key feature of the phenomenon under …

How thermally activated deformation starts in metallic glass

Y Fan, T Iwashita, T Egami - Nature communications, 2014 - nature.com
The studies on dynamics and deformation in glassy materials are particularly challenging
because of their strongly disordered atomic structure. Here, by probing the changes in the …

Long time-scale atomistic modeling and simulation of deformation and flow in solids

Y Fan, P Cao - Handbook of Materials Modeling: Applications: Current …, 2020 - Springer
Atom-based modeling and simulation are essential for the understanding and development
of structural materials such as crystalline and amorphous metals. Classical molecular …

Statistical thermodynamics of crystal plasticity

JS Langer - Journal of Statistical Physics, 2019 - Springer
This article is written in memory of Pierre Hohenberg with appreciation for his deep
commitment to the basic principles of theoretical physics. I summarize recent developments …

Anomalous temperature dependence of elastic limit in metallic glasses

Y Wang, J Liu, JZ Jiang, W Cai - Nature Communications, 2024 - nature.com
Understanding the atomistic mechanisms of inelastic deformation in metallic glasses (MGs)
remains challenging due to their amorphous structure, where local carriers of plasticity …

Predicting plasticity in disordered solids from structural indicators

D Richard, M Ozawa, S Patinet, E Stanifer, B Shang… - Physical Review …, 2020 - APS
Amorphous solids lack long-range order. Therefore identifying structural defects—akin to
dislocations in crystalline solids—that carry plastic flow in these systems remains a daunting …

[HTML][HTML] Room temperature plasticity in amorphous SiO2 and amorphous Al2O3: A computational and topological study

J Zhang, EJ Frankberg, J Kalikka, A Kuronen - Acta Materialia, 2023 - Elsevier
Requirements for room temperature plasticity in oxides glasses have been only recently
established. While atomistic mechanisms of this type of plasticity have been reported, it …

Avalanches and plastic flow in crystal plasticity: an overview

S Papanikolaou, Y Cui, N Ghoniem - Modelling and Simulation in …, 2017 - iopscience.iop.org
Crystal plasticity is mediated through dislocations, which form knotted configurations in a
complex energy landscape. Once they disentangle and move, they may also be impeded by …

Molecular mechanics of disordered solids

F Bamer, F Ebrahem, B Markert, B Stamm - Archives of Computational …, 2023 - Springer
Disordered solids are ubiquitous in engineering and everyday use. Although research has
made considerable progress in the last decades, our understanding of the mechanics of …

Relating plasticity to dislocation properties by data analysis: scaling vs. machine learning approaches

S Hiemer, H Fan, M Zaiser - Materials Theory, 2023 - Springer
Plasticity modelling has long relied on phenomenological models based on ad-hoc
assumption of constitutive relations, which are then fitted to limited data. Other work is based …