Chemical and Structural Segregation in Ternary Pt–Pd–Cu Nanoparticles: Molecular Dynamics Simulation

Local Strain in Pt–Ni Bulk and Nanoparticles

Understanding the mechanical behavior of bimetallic nanoparticles under compressive stress is relevant for the use of these nanostructures in catalysis and nanomechanics. In this work, we present molecular dynamics (MD) simulations of compressive deformation in Pt–Ni nanoparticles—and bulk systems for comparison—with v...

A molecular dynamics simulation on mechanical and thermodynamic properties of MVIII-metals (Ni, Pd, Pt)/6,6,12-graphyne composite nanostructures

Effect of Cryogenic Temperature on the Stability and Structural Formation of Ga0.8In0.2 Semiconductor Alloy Using Molecular Dynamics Simulations

The article investigates the cooling process of the Ga0.8In0.2 semiconductor alloy over the cryogenic temperature range (T) from 300 K to T = 4 K using molecular dynamics (MD) simulations. The structural characteristics are analyzed through the radial distribution function (RDF), including the Ga–In bond length (rGa−In...

Fusion kinetics and thermomechanical behavior of Ni–Pd core–shell nanoparticles: insights from molecular dynamics simulations

Thermal-Temporal Treatment Preparation of the Melt Before Amorphization to Obtain Nanocrystalline Magnetic Cores with Unique Magnetic Characteristics

This review presents a current understanding of the relationship between the structure of multicomponent metallic melts and the processes of amorphization and nanocrystallization. Particular attention is paid to the thermal-temporal treatment (TTT) of melts as a precision method for monitoring the nonequilibrium state...

Study on Structural and Optical Properties of Nanocrystalline Mn–Ni Ferrites Prepared by Auto-Combustion Technique

Nanocrystalline mixed ferrites with the general formula MnxNi1-xFe2O4(x = 0.0 to 1.0, in steps of 0.2) were successfully synthesized using the auto-combustion technique. The main objective of this work was to investigate the effect of Mn substitution at Ni sites on the structural and optical properties of NiFe2O4 in th...