TY - JOUR
T1 - Subcontinuum scale analysis of diamond lattice films through spatial multi-level coarsening method
AU - Goh, Byeonghwa
AU - Choi, Joonmyung
N1 - Publisher Copyright:
© 2023 Elsevier Ltd
PY - 2023/6
Y1 - 2023/6
N2 - In this study, a multilevel scalable spatial-coarsening method for diamond structures was developed to selectively scale the space represented by the particles. The bonding relationship between the particles of the interlayer facing different spatial regions is explained by the combination of the potential energies that dominate each side. The proposed method reproduces the tensor properties of the diamond crystal material with high accuracy under thermodynamic equilibrium covering a wide temperature range. Additionally, shock wave characteristics are examined for Si thin-films in which only the surface area is left as the all-atom level and upscaling is performed in the thickness direction. The change in particle velocity and stress due to the potential energy transferred in the thickness direction is maintained even after penetrating the interlevel layer, successfully predicting the all-atom model and experimental results.
AB - In this study, a multilevel scalable spatial-coarsening method for diamond structures was developed to selectively scale the space represented by the particles. The bonding relationship between the particles of the interlayer facing different spatial regions is explained by the combination of the potential energies that dominate each side. The proposed method reproduces the tensor properties of the diamond crystal material with high accuracy under thermodynamic equilibrium covering a wide temperature range. Additionally, shock wave characteristics are examined for Si thin-films in which only the surface area is left as the all-atom level and upscaling is performed in the thickness direction. The change in particle velocity and stress due to the potential energy transferred in the thickness direction is maintained even after penetrating the interlevel layer, successfully predicting the all-atom model and experimental results.
KW - Digital twinning
KW - Hamiltonian particle dynamics
KW - Mechanical properties
KW - Monocrystalline silicon film
KW - Multilevel coarse-graining
UR - https://www.scopus.com/pages/publications/85151757606
U2 - 10.1016/j.tws.2023.110738
DO - 10.1016/j.tws.2023.110738
M3 - Article
AN - SCOPUS:85151757606
SN - 0263-8231
VL - 187
JO - Thin-Walled Structures
JF - Thin-Walled Structures
M1 - 110738
ER -