2022
DOI: 10.1007/s00339-022-05903-4
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Thermal stability and mechanical properties of Si/Ge superlattice nanowires having inclination interfaces from simulations at atomic scale

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Cited by 5 publications
(2 citation statements)
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“…The local stress tensors 𝜎 i of each atom, i is given in the following equation [37][38][39][40] : (11) where V i is the volume of atoms, E i is the energy of the i th atom and r a ij and r b ij are the Cartesian components of the vector r ij in which a, b stand for x, y, z. From these stress tensors, three stress invariants of I 1 i , I 2 i , and I 3 i are given as follows:…”
Section: Computational Detailsmentioning
confidence: 99%
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“…The local stress tensors 𝜎 i of each atom, i is given in the following equation [37][38][39][40] : (11) where V i is the volume of atoms, E i is the energy of the i th atom and r a ij and r b ij are the Cartesian components of the vector r ij in which a, b stand for x, y, z. From these stress tensors, three stress invariants of I 1 i , I 2 i , and I 3 i are given as follows:…”
Section: Computational Detailsmentioning
confidence: 99%
“…The local stress tensors σi${\sigma }_i$ of each atom, i is given in the following equation [ 37–40 ] : σiabbadbreak=1Vi0.33em∑jbadbreak≠i∂Ei∂rijrijarijbrij$$\begin{equation}{\sigma }_i^{ab} = \frac{1}{{{V}_i}}\ \mathop \sum \limits_{j \ne i} \frac{{\partial {E}_i}}{{\partial {r}_{ij}}}\frac{{{r}_{ij}^a{r}_{ij}^b}}{{{r}_{ij}}}\end{equation}$$where Vi${V}_i$ is the volume of atoms, Ei${E}_i$ is the energy of the i th atom and rija${r}_{ij}^a$ and rijb${r}_{ij}^b$ are the Cartesian components of the vector rij${r}_{ij}$ in which a, b stand for x, y, z . From these stress tensors, three stress invariants of I1i${I}_{{1}_i}$, I2i${I}_{{2}_i}$, and I3i${I}_{{3}_i}$ are given as follows: I1i=σixx+σiyy+σi…”
Section: Computational Detailsmentioning
confidence: 99%