Atomistic Simulations of the Elastic Compression of Platinum Nanoparticles.

ABSTRACT: The elastic behavior of nanoparticles depends strongly on particle shape, size, and crystallographic orientation. Many prior investigations have characterized the elastic modulus of nanoscale particles using experiments or simulations; however their reported values vary widely depending on the methods for measurement and calculation. To understand these discrepancies, we used classical molecular dynamics simulation to model the compression of platinum nanoparticles with two different polyhedral shapes and a range of sizes from 4 to 20 nm, loaded in two different crystal orientations. Multiple standard methods were used to calculate the elastic modulus from stress-vs-strain data for each nanoparticle. The magnitudes and particle-size dependence of the resulting moduli varied with calculatio

SUBMITTER: Padilla Espinosa IM 

PROVIDER: S-EPMC9530103 | biostudies-literature | 2022 Oct

REPOSITORIES: biostudies-literature