First-principles calculations of the viscosity in multicomponent metallic melts: Al-Cu-Ni as a test case
Calculating viscosity in multicompoinent metallic melts is a challenging task for both
classical and ab initio molecular dynamics simulations methods. The former may not to …
classical and ab initio molecular dynamics simulations methods. The former may not to …
On structural rearrangements during the vitrification of molten copper
MI Ojovan, DV Louzguine-Luzgin - Materials, 2022 - mdpi.com
We utilise displacement analysis of Cu-atoms between the chemical bond-centred Voronoi
polyhedrons to reveal structural changes at the glass transition. We confirm that the …
polyhedrons to reveal structural changes at the glass transition. We confirm that the …
Crystallization of FCC and BCC liquid metals studied by molecular dynamics simulation
DV Louzguine-Luzgin, AI Bazlov - Metals, 2020 - mdpi.com
The atomic structure variations on cooling, vitrification and crystallization processes in liquid
metals face centered cubic (FCC) Cu are simulated in the present work in comparison with …
metals face centered cubic (FCC) Cu are simulated in the present work in comparison with …
[HTML][HTML] Crystal nucleation and growth processes in Cu-rich glass-forming Cu–Zr alloys
AKA Lu, DV Louzguine-Luzgin - The Journal of Chemical Physics, 2022 - pubs.aip.org
The glass formation ability of an alloy depends on two competing processes: glass-
transition, on one hand, and crystal nucleation and growth, on the other hand. While these …
transition, on one hand, and crystal nucleation and growth, on the other hand. While these …
Theoretical and computational approaches to predicting the viscosity of liquids
Predictive models for the shear viscosity of liquids and gases along with exact equations of
state are of great practical importance for hydrodynamic modeling of processes occurring in …
state are of great practical importance for hydrodynamic modeling of processes occurring in …
Can we accurately calculate viscosity in multicomponent metallic melts?
Calculating viscosity in multicompoinent metallic melts is a challenging task for both
classical and\textit {ab~ initio} molecular dynamics simulations methods. The former may not …
classical and\textit {ab~ initio} molecular dynamics simulations methods. The former may not …
Molecular dynamics simulation of glass transition of the supercooled Zr–Nb melt
SS Kliavinek, LN Kolotova - Journal of Experimental and Theoretical …, 2020 - Springer
The glass transition of the supercooled Zr–Nb melt has been investigated by molecular
dynamics simulation. The dependence of the critical glass transition rate on the percentage …
dynamics simulation. The dependence of the critical glass transition rate on the percentage …
Modeling of glass transition process and elastic properties of Zr-Nb amorphous alloys
SS Kliavinek, LN Kolotova - Journal of Non-Crystalline Solids, 2021 - Elsevier
The glass transition of supercooled Z r− N b melt was studied by molecular dynamics
modeling. Glass transition temperature was determined using by different criteria such as …
modeling. Glass transition temperature was determined using by different criteria such as …
Collective behaviour of a glass-forming film of pure aluminium
The previously discovered features of the temperature behaviour of four-point spatial
correlators allow us to study transitions to metastable states. Similar integral characteristics …
correlators allow us to study transitions to metastable states. Similar integral characteristics …
Probing the self-diffusion process in Aluminium
JH Mokkath - Journal of Molecular Modeling, 2022 - Springer
An in-depth understanding of the diffusion process in liquid metals is a key to design and
engineering new high-performance materials. In this study, using molecular dynamics …
engineering new high-performance materials. In this study, using molecular dynamics …