Atomistic modeling of the mechanical properties: the rise of machine learning interatomic potentials
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 …
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
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 …
amorphous solids, including oxide and metallic glasses. We consider simulations at different …
From metadynamics to dynamics
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 …
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 …
Here we provide perspective on recent progress in this field. The interpretation of …
How thermally activated deformation starts in metallic glass
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 …
because of their strongly disordered atomic structure. Here, by probing the changes in the …
Viscosity of glass‐forming systems
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 …
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
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 …
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
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 …
Secondary (β) relaxation has been assumed to be a relevant plastic mechanism in …
Understanding the mechanisms of amorphous creep through molecular simulation
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 …
timescales using a metadynamics-based atomistic method. Space–time evolutions of the …
Potential energy landscape activations governing plastic flows in glass rheology
While glasses are ubiquitous in natural and manufactured materials, the atomic-level
mechanisms governing their deformation and how these mechanisms relate to rheological …
mechanisms governing their deformation and how these mechanisms relate to rheological …