MultiSOM: Multi-layer Self Organizing Maps for local structure identification in crystalline structures

F Aquistapace, N Amigo, JF Troncoso, O Deluigi… - Computational Materials …, 2023 - Elsevier
Identification of defects in crystalline structures is of vital importance when describing the
plastic behavior of metals. Despite the increasing number of tools available in the literature …

Influence of grain size on mechanical properties of a refractory high entropy alloy under uniaxial tension

O Deluigi, F Valencia, DR Tramontina, N Amigo… - Crystals, 2023 - mdpi.com
There is a growing interest in High Entropy Alloys (HEAs) due to their outstanding
mechanical properties. Most simulation studies have focused on face-centered cubic (fcc) …

Impact of edge dislocation and grain boundaries on mechanical properties in CoCrCuFeNi high entropy alloy

M Khan, MZ Rahaman, ML Ali - Journal of Applied Physics, 2024 - pubs.aip.org
This study uses molecular dynamics simulations to explore the mechanical behavior of a
CoCrCuFeNi high-entropy alloy (HEA) with Σ5 and Σ13 grain boundaries (GBs) as well as …

Atomistic simulations of tensile deformation of a nanoporous high-entropy alloy

OR Deluigi, F Valencia, N Amigo, F Aquistapace… - Journal of Materials …, 2022 - Springer
High-entropy alloys (HEAs) display outstanding mechanical properties which make possible
new technological applications. There are many studies of bulk HEAs, but here we focus on …

Uniaxial deformation of nanowires in 16 refractory multi-principal element alloys

S Xu, A Al Mamun, S Mu, Y Su - Journal of Alloys and Compounds, 2023 - Elsevier
Metallic nanowires are widely employed as small-scale structural materials due to their
characteristically small volume and high strength compared with their bulk counterparts …

Influence of chemistry and temperature on mechanical behavior and deformation mechanisms of refractory high-entropy alloys: an integrated simulation-modeling …

J Li, S Ren, B Liu, PK Liaw, Q Fang - Acta Mechanica Sinica, 2024 - Springer
The equiatomic refractory high-entropy alloys (RHEAs) exhibit the excellent performance at
high temperatures, breaking through the upper limits of operating temperatures in the …

Nanoindentation into a bcc high-entropy HfNbTaTiZr alloy—an atomistic study of the effect of short-range order

IA Alhafez, OR Deluigi, D Tramontina, N Merkert… - Scientific Reports, 2024 - nature.com
The plastic response of the Senkov HfNbTaTiZr high-entropy alloy is explored by means of
simulated nanoindentation tests. Both a random alloy and an alloy with chemical short …

Atomistic Simulations of the Shock and Spall Behavior of the Refractory High-Entropy Alloy HfNbTaTiZr

D Thürmer, OR Deluigi, HM Urbassek… - High Entropy Alloys & …, 2024 - Springer
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] …

Plasticity and strength of an equiatomic and a non-equiatomic HfNbTaTiZr high entropy alloy during uniaxial loading: A molecular dynamics simulation study

P Bordoloi, MP Hazarika, A Tripathi… - Materials Research …, 2024 - iopscience.iop.org
Understanding plasticity and strength of high entropy alloys of HfNbTaTiZr is extremely
significant in building nuclear reactors, gas turbines, aerospace devices etc. Here we study …

Temperature effects on the strength of a nanocrystalline refractory high entropy alloy

FR Roco, O Deluigi, M Opazo, N Amigo… - International Journal of …, 2025 - Elsevier
Abstract Refractory High Entropy Alloys (RHEAs) are advanced materials suitable for high-
temperature applications due to their remarkable properties, such as excellent strength …