Metastable grain boundaries: the roles of structural and chemical disorders in their energetics, non-equilibrium kinetic evolution, and mechanical behaviors

M He, Y Wang, Y Fan - Journal of Physics: Condensed Matter, 2024 - iopscience.iop.org
Complex environments in advanced manufacturing usually involve ultrafast laser or ion
irradiation which leads to rapid heating and cooling and drives grain boundaries (GBs) to …

Temperature gradient enhances the solidification process and properties of a CoCrFeNi high-entropy alloy: Atomic insights from molecular dynamics simulations

L Xie, GD Wu, PK Liaw, WR Wang, DY Li… - Computational Materials …, 2024 - Elsevier
Material properties are substantially affected by the process during fabrication. To what
extent for high-entropy alloys (HEAs), however, is still an open question. Herein, we …

Atomistic simulation of primary microstructure formation in metals during crystallization from the melt

VV Dremov, PV Chirkov, RM Kichigin, AV Karavaev… - Scientific Reports, 2024 - nature.com
Additive manufacturing of metallic parts by Selective Laser Melting (SLM) implies high
temperature gradients and small volume of the melt bath. These conditions make the …

Atomic Investigation of Corrosion Mechanism and Surface Degradation of Fe–Cr–Ni Alloy in Presence of Water: Advance Reactive Molecular Dynamics Simulation

R Kumar, S Kumar, RK Sahu, AJ Kailath - … of the Indian Institute of Metals, 2024 - Springer
Steel is the most versatile engineering and construction material. Construction, power,
automobiles, infrastructure, manufacturing and various different industrial sectors are using …

Fabrication, mechanical, finite element and In vitro evaluation of 3D printed polylactide/biphasic calcium phosphate composite blends

MM Alam, S Kumar, G Gopan, M Mani… - Materials Chemistry and …, 2024 - Elsevier
Polylactic acid (PLA) reinforced with biphasic calcium phosphate mixtures were extruded as
filaments and subsequently 3D printed into definite shapes in accordance with the ASTM …

[HTML][HTML] Directional solidification of Cu with dispersed W nanoparticles: A molecular dynamics study in the context of additive manufacturing

Q Bizot, O Politano, F Baras, V Turlo - Materialia, 2024 - Elsevier
Directional solidification, resulting in the development of columnar grains, is prevalent in
laser-additive manufacturing of metal parts. The addition of grain refiners or inoculants …

Atomic-Scale Dislocation Structure Evolution and Crystal Ordering Analysis of Melting and Crystallization Microprocesses in Laser Powder Bed Melting of γ-TiAl Alloys

B Gu, Q Wang, C Ma, L Han, W Wei, X Li - Metals, 2024 - mdpi.com
Laser Powder Bed Fusion (LPBF) technology exhibits significant advantages in the
manufacturing of components with high dimensional accuracy and intricate internal cavities …

Laser powder bed fusion sintering mechanism of phenolic resin investigated by ReaxFF molecular dynamics simulations

S Guo, J Li, H Zhang, W Zhao, L Zou - Molecular Simulation, 2024 - Taylor & Francis
This study presents an innovative approach utilising molecular dynamics simulations to
elucidate the polymerisation and neck formation mechanisms of phenolic resin during laser …

Investigation of the Phase Mechanism Behaviors of Fe-Cr-Ni alloy by Molecular Dynamics Simulation

M Duman, FA Çelik - Gazi University Journal of Science - dergipark.org.tr
In the presented study, Fe-Cr-Ni ternary alloy system, which is classified as medium entropy
alloys, was modelled using molecular dynamics (MD) simulation method. Model system was …