Atomistic modeling of the mechanical properties: the rise of machine learning interatomic potentials

B Mortazavi, X Zhuang, T Rabczuk, AV Shapeev - Materials Horizons, 2023 - pubs.rsc.org
Since the birth of the concept of machine learning interatomic potentials (MLIPs) in 2007, a
growing interest has been developed in the replacement of empirical interatomic potentials …

Modeling the mechanics of amorphous solids at different length scale and time scale

D Rodney, A Tanguy… - Modelling and Simulation …, 2011 - iopscience.iop.org
We review the recent literature on the simulation of the structure and deformation of
amorphous solids, including oxide and metallic glasses. We consider simulations at different …

From metadynamics to dynamics

P Tiwary, M Parrinello - Physical review letters, 2013 - APS
Metadynamics is a commonly used and successful enhanced sampling method. By the
introduction of a history dependent bias which depends on a restricted number of collective …

Perspective: Supercooled liquids and glasses

MD Ediger, P Harrowell - The Journal of chemical physics, 2012 - pubs.aip.org
Supercooled liquids and glasses are important for current and develo** technologies.
Here we provide perspective on recent progress in this field. The interpretation of …

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 …

Viscosity of glass‐forming systems

Q Zheng, JC Mauro - Journal of the American Ceramic Society, 2017 - Wiley Online Library
As one of the most important properties of glass‐forming liquids, viscosity has drawn
significant attention in both glass manufacturing and fundamental research. We review the …

Glassy nature of water in an ultraconfining disordered material: the case of calcium− silicate− hydrate

M Youssef, RJM Pellenq, B Yildiz - Journal of the American …, 2011 - ACS Publications
We present the structural and dynamic nature of water ultraconfined in the quasi-two-
dimensional nanopores of the highly disordered calcium− silicate− hydrate (CSH), the major …

Fundamental links between shear transformation, β relaxation, and string-like motion in metallic glasses

ZY Zhou, Y Sun, L Gao, YJ Wang, HB Yu - Acta Materialia, 2023 - Elsevier
Plastic deformation and relaxation dynamics are two major topics in glass physics.
Secondary (β) relaxation has been assumed to be a relevant plastic mechanism in …

Understanding the mechanisms of amorphous creep through molecular simulation

P Cao, MP Short, S Yip - Proceedings of the National …, 2017 - National Acad Sciences
Molecular processes of creep in metallic glass thin films are simulated at experimental
timescales using a metadynamics-based atomistic method. Space–time evolutions of the …

Potential energy landscape activations governing plastic flows in glass rheology

P Cao, MP Short, S Yip - Proceedings of the National …, 2019 - National Acad Sciences
While glasses are ubiquitous in natural and manufactured materials, the atomic-level
mechanisms governing their deformation and how these mechanisms relate to rheological …