Ti-Al-based alloys, particularly two-phase TiAl and Ti3Al alloys, have garnered significant
attention as potential replacements for various high-temperature structural materials due to …

In this study, series of Co/zeolites with diverse microporous structures were prepared and
applied for N2O catalytic decomposition. The corresponding activities followed the order …

Molecular dynamics (MD) simulations are performed to study the growth mechanisms of Nb
thin film on Cu substrate. In this investigation, we provide insights and information about the …

Molecular dynamics (MD) simulations have come of age. They have been increasingly used
by scientists and engineers over the last two decades, and have attracted attention also in …

Significant advances in nanoscale research have enabled the continuous miniaturization of
devices. With the reduction in the size of the devices, it is important to identify if the …

We study the problem of a projectile impacting on a target at different length scales
employing two widely used techniques—molecular dynamics (MD) simulations at atomistic …

Sampling from an unnormalized probability distribution is a fundamental problem in
machine learning with applications including Bayesian modeling, latent factor inference, and …

This study aims to investigate a novel magnesia-based cement material, Basic magnesium
sulfate cement (BMSC), with a focus on its effectiveness in the solidification of Pb (II). First …

We derive statistical-mechanical speed limits on dissipation from the classical, chaotic
dynamics of many-particle systems. In one, the rate of irreversible entropy production in the …

Most of the continuum scale processes, such as fracture, plasticity, etc., trace their origin to
atomistic scale phenomena. To gain deeper insights into these processes, one needs to …