The mesh generator is based on the Delaunay algorithm, and the mesh has been designed to have higher density in the volume of the APT data and in the surface of the full domain because these are the regions of interest. Anisotropic linear elastic behaviour has been considered. Vegard’s law has been assumed for the determination of the In x Al y Ga1-x-y As elastic BMS345541 nmr constants and the lattice parameters; it is based on the atomic concentration obtained from the APT data (consequently we only import the In and Al distribution from the APT data, considering all the rest is GaAs). Initial strain was assumed

to be ϵ 0 = (a InxAlyGa1-x-yAs - a GaAs)/a GaAs in all subdomains except in the base, where a i denotes the lattice parameter of i. The elastic properties have been see more taken from [28]. The elastic strain energy density (SED) can be expressed as SED = σ ij ϵ ij /2, where σ ij (ϵ ij ) with i,j = x,y,z are the components of the stress (strain) matrix (the Einstein summation convention is assumed). The normalized SED is expressed as SED/SEDmax, where SEDmax is the maximum value of SED at the top layer surface. Results and discussion Figure  1a shows the APT data obtained from the fabricated needle of the sample. In atoms are shown as yellow dots and Ga atoms as blue dots (for a better

visualization, only 20% of Ga atoms have been included, and none of the Al and As atoms). Our results show that the QDs (marked with GW-572016 concentration arrows in the figure) are slightly asymmetric, with diameters of 9.5 ± 0.9 nm and heights of 5.6 ± 0.2 nm. Also, it should be highlighted that the APT data evidences that the QD in the second layer do not follow a vertical alignment with regard to the QD in the first layer. There is a misalignment

of approximately 13° from the growth direction. Thus, our objective is to verify whether a strain analysis using FEM based on the APT data from the lower QD layer is able to predict this misalignment. Figure 1 APT data of two stacked QDs. (a) APT data obtained from the analysed sample. In atoms are shown as yellow dots and Ga atoms as blue dots. (b,c) Perpendicular In composition slices of the APT data Neratinib chemical structure corresponding to the lower QD layer where the In inhomogeneous distribution is showed. Figure  1b,c shows two perpendicular In composition slices of the APT data corresponding to the lower QD layer. The APT data in this region is the input data for the FEM analysis that will be performed next. As it can be observed in the figure, both images show an inhomogeneous In distribution, where the dark blue area indicates the higher In concentration, corresponding to the core of the QD. The absence of a uniform composition gradient from the centre of the QD in different directions prevents from the accurate theoretical simulation of the QD composition required to perform a FEM simulation that approaches the real situation.