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- W3200435166 abstract "In this thesis we are set out to find if a simplified model can be constructed that captures phasetransitions that occur in perovskites. The model is a one dimensional atom chain modeled after certainanharmonic phonon modes of a CsPbBr3 perovskites. We simulate our model in a Molecular Dynamics(MD) simulation. We first cover the derivation of our model after which we discuss the methods weimplement and use in the simulation of the model. After this, the results of the simulation are covered.We find that phase transitions in our model analogous to the phase transitions of CsBrPb3 do occur,but because of an unspecified parameter in our model the resulting phase transition temperaturescan not be compared to values found in literature. We discuss the results and conclude that furtherresearch is needed on the model to solve the problem of the unspecified parameter. If this is done thenthe model could be compared with other research to see if the model can lead to a better understandingof phase transitions in a crystal. We conclude that until further research is done model should only beused as a purely theoretical model and the results of our model should not be directly linked to a realsystem" @default.
- W3200435166 created "2021-09-27" @default.
- W3200435166 creator A5049611307 @default.
- W3200435166 date "2021-01-01" @default.
- W3200435166 modified "2023-09-27" @default.
- W3200435166 title "Phase transitions in a one dimensional atom chain" @default.
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- W3200435166 hasPublicationYear "2021" @default.
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