Surface stress of gold nanoparticles revisited
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in: International journal of solids and structures, Jahrgang 224.2021, Nr. 1 August, 111044, 01.08.2021, S. 1-13.
Publikationen: Beitrag in Fachzeitschrift › Artikel › Forschung › (peer-reviewed)
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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 -