TY - JOUR

T1 - Surface stress of gold nanoparticles revisited

AU - Holec, David

AU - Löfler, Lukas

AU - Zickler, Gerald

AU - Vollath, Dieter

AU - Fischer, Franz-Dieter

N1 - Publisher Copyright: © 2021 The Authors

PY - 2021/8/1

Y1 - 2021/8/1

N2 - The surface energy has been one of the topics of atomistic research for nanoparticles in the last decades. However, the physical role of surface stress and its quantification have been a lot less an object of research. Assumptions for the surface stress, going back to the thermodynamic basis of continua, have been popular. As an example the surface stress (state) follows as derivatives of the surface energy with a rather “classical” evolution equation for the deformation energy. The current concept introduces a combination of atomistic modelling and continuum mechanics for a core–shell system. Considering crystalline and amorphous gold nanoparticles with radii in the range of 1 nm to 12 nm, we are finally able to independently calculate the values of surface stress and surface energy, both slightly decreasing with the increasing particle radius. Surprisingly large values of surface stress are predicted for the case of amorphous nanoparticles.

AB - The surface energy has been one of the topics of atomistic research for nanoparticles in the last decades. However, the physical role of surface stress and its quantification have been a lot less an object of research. Assumptions for the surface stress, going back to the thermodynamic basis of continua, have been popular. As an example the surface stress (state) follows as derivatives of the surface energy with a rather “classical” evolution equation for the deformation energy. The current concept introduces a combination of atomistic modelling and continuum mechanics for a core–shell system. Considering crystalline and amorphous gold nanoparticles with radii in the range of 1 nm to 12 nm, we are finally able to independently calculate the values of surface stress and surface energy, both slightly decreasing with the increasing particle radius. Surprisingly large values of surface stress are predicted for the case of amorphous nanoparticles.

UR - http://www.scopus.com/inward/record.url?scp=85104621732&partnerID=8YFLogxK

U2 - 10.1016/j.ijsolstr.2021.111044

DO - 10.1016/j.ijsolstr.2021.111044

M3 - Article

VL - 224.2021

SP - 1

EP - 13

JO - International journal of solids and structures

JF - International journal of solids and structures

SN - 0020-7683

IS - 1 August

M1 - 111044

ER -