Exploring the impact of cooling rates and pressure on fragility and structural transformations in iron monatomic metallic glasses: Insights from molecular dynamics …
In this study, we investigate Fe metallic glass under pressures from 0 to 20 GPa and cooling
rates of 5× 10 12 to 10 14 K/s using molecular dynamics (MD) simulations with an …
rates of 5× 10 12 to 10 14 K/s using molecular dynamics (MD) simulations with an …
Mechanical and structural properties of monatomic zirconium metallic glass under pressure variations and annealing processes: A molecular dynamics study
The aim of this study is to investigate how different pressure levels and annealing times
affect the local atomic structure and mechanical properties of pure zirconium metallic …
affect the local atomic structure and mechanical properties of pure zirconium metallic …
Exploring structural and dynamic characteristics of supercooled liquid silver under varying hydrostatic pressures: A molecular dynamics investigation
This study employs molecular dynamics simulations using the embedded-atom method to
investigate the structural and dynamic properties of supercooled liquid silver (Ag) metal …
investigate the structural and dynamic properties of supercooled liquid silver (Ag) metal …
The Effect of Electroplating Nickel on the Mechanical Properties of Brittle Mg-Based Bulk Metallic Glasses
J Zhang, J Li, M Jing, L Zhao, Y Qi, W Yang, X Wang - Coatings, 2023 - mdpi.com
Magnesium-based bulk metallic glasses (BMGs) are typical intrinsic brittle lightweight BMG
alloys, and their improvement in plasticity has attracted widespread attention in the field of …
alloys, and their improvement in plasticity has attracted widespread attention in the field of …
Atomistic mechanism of AlCu thin film alloy growth on trenched Si substrate
M Lablali, H Mes-adi, A Eddiai, M Mazroui - Computational Materials …, 2024 - Elsevier
Molecular dynamics simulation was employed to study the growth mechanisms of an AlCu
thin film on a trenched Si (0 0 1) substrate. The atomic interactions between Al, Cu, and Si …
thin film on a trenched Si (0 0 1) substrate. The atomic interactions between Al, Cu, and Si …
Unraveling the atomic-scale mechanism of interfacial alkali ion close packing in nano glassy fibers driven by CO 2-mediated attraction
The poor alkali resistance of nano-glassy fiber (NGF) hinders its application in aggressive
alkaline environments like cement and alkaline wastewater. This study introduced a …
alkaline environments like cement and alkaline wastewater. This study introduced a …
Density functional theory calculations of surface thermochemistry in Al/CuO thermite reaction
This paper investigates the thermochemistry of the heterogeneous Al/CuO thermite reaction
through density functional theory calculations. We examine the interactions of atomic Al, Cu …
through density functional theory calculations. We examine the interactions of atomic Al, Cu …
Tailoring thermodynamic stability, mechanical properties, and anisotropies in TiX (X= Nb, Zr) disordered alloys: A first-principles study
W Song, S Feng, Q Du, L Yang, LM Wang - Journal of Non-Crystalline …, 2024 - Elsevier
This paper employs first principles to calculate the elastic modulus and anisotropies of β-TiX
(X= Nb/Zr) disordered models. Based on the special quasi-random structures (SQS) theory …
(X= Nb/Zr) disordered models. Based on the special quasi-random structures (SQS) theory …
Structural behavior of copper monatomic metallic glass under various cooling conditions investigated by molecular dynamics simulations
The present research explores the structural characteristics of pure copper (Cu) metallic
glass using the embedded atom method (EAM) potential in molecular dynamics simulations …
glass using the embedded atom method (EAM) potential in molecular dynamics simulations …
Increasing Electro-Optical Properties of Perovskite FAPbI3 Under the Effect of Doping by Sn
M Karouchi, O Bajjou, H Jabraoui… - … Research in Applied …, 2023 - ieeexplore.ieee.org
The development of valuable materials for photovoltaics is occurring at a rapid pace,
particularly in the area of perovskite materials. The present study examines the impact of …
particularly in the area of perovskite materials. The present study examines the impact of …