Diamond is, by virtue of the covalent bonding between atoms and the very strong carbon to
carbon bonds, the hardest natural material. It has been a fascinating material since its …

Plastic deformation in solids constitutes a multifaceted and intricate multiscale process that
remains, to a large extent, not fully understood. Especially, in metals, plasticity is inherently …

Using molecular dynamics simulation, we study the effect of a shock wave on the refractory
high-entropy alloy HfNbTaTiZr. A single-crystalline sample, shocked along the [001] …

Abstract Refractory High Entropy Alloys (RHEAs) are advanced materials suitable for high-
temperature applications due to their remarkable properties, such as excellent strength …

Atomistic simulations were employed to investigate the mechanical properties of a Face-
centered Cubic (FCC) FeNiCrCoCu and a base centered cubic (BCC) HfNbTaZrTi High …

We study the effects of uniaxial pressure on the thermal conductivity between two
nanoparticles using atomistic simulation. While the system is compressed, we analyze the …

Kohonen Maps, aka. Self-organizing maps (SOMs) are neural networks that visualize a high-
dimensional feature space on a low-dimensional map. While SOMs are an excellent tool for …

The dynamic behavior of materials under shock has been a deeply studied topic due to the
different ways materials respond to high strain rate situations compared to static …