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

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

Formation mechanism of core–shell structures in Mg-doped BaTiO 3 -based ceramics for high-temperature MLCCs application

Enhancing the thermal stability of dielectric ceramics is crucial for maintaining the reliability of multilayer ceramic capacitors (MLCCs) under fluctuating thermal environments. While core–shell structuring has proven effective in mitigating temperature-dependent permittivity variations, the role of dopant chemistry...

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

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...

From Molecular Structure to Macroscopic Performance: Insights into Polycarbosilane Curing

Curing protocols critically influence the structure and properties of crosslinked polymer networks, yet their impact on nanoscale structural features remains poorly understood. Here, polycarbosilane (PCS) networks are used as a model system to investigate curing‐induced structural evolution across multiple techniques....

Sol–Gel Engineering of Nanostructured MgFe2O4 Ferrite: Tunable Microstructure for Thermochemical Energy Conversion Applications

This study investigates the synthesis–structure relationships governing sol–gel-derived nanostructured MgFe2O4 ferrite powders for high-temperature thermochemical energy conversion applications. The effects of key processing parameters, including propylene oxide (PO) concentration, gel aging time, calcination temperatu...