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| Naji, M. |
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| Motta, Antonella |
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| Aletan, Dirar |
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| Mohamed, Tarek |
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| Ertürk, Emre |
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| Taccardi, Nicola |
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| Kononenko, Denys |
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| Petrov, R. H. | Madrid |
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| Alshaaer, Mazen | Brussels |
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| Bih, L. |
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| Casati, R. |
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| Muller, Hermance |
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| Kočí, Jan | Prague |
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| Šuljagić, Marija |
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| Kalteremidou, Kalliopi-Artemi | Brussels |
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| Azam, Siraj |
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| Ospanova, Alyiya |
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| Blanpain, Bart |
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| Ali, M. A. |
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| Popa, V. |
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| Rančić, M. |
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| Ollier, Nadège |
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| Azevedo, Nuno Monteiro |
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| Landes, Michael |
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| Rignanese, Gian-Marco |
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Backofen, Rainer
in Cooperation with on an Cooperation-Score of 37%
Topics
Publications (8/8 displayed)
- 2022Controlling magnetic anisotropy in amplitude expansion of phase field crystal model
- 2019CONVEXITY SPLITTING IN A PHASE FIELD MODEL FOR SURFACE DIFFUSION
- 2017Controlling the energy of defects and interfaces in the amplitude expansion of the phase-field crystal modelcitations
- 2017Complex dewetting scenarios of ultrathin silicon films for large-scale nanoarchitecturescitations
- 2017Phase-field simulations of faceted Ge/Si-crystal arrays, merging into a suspended filmcitations
- 2016Thin-film growth dynamics with shadowing effects by a phase-field approachcitations
- 2015Engineered coalescence by annealing 3D Ge microstructures into high-quality suspended layers on Sicitations
- 2015Faceting of equilibrium and metastable nanostructures: a Phase-Field model of surface diffusion tackling realistic shapescitations
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article
Controlling the energy of defects and interfaces in the amplitude expansion of the phase-field crystal model
Abstract
One of the major difficulties in employing phase-field crystal (PFC) modeling and the associated amplitude (APFC) formulation is the ability to tune model parameters to match experimental quantities. In this work, we address the problem of tuning the defect core and interface energies in the APFC formulation. We show that the addition of a single term to the free-energy functional can be used to increase the solid-liquid interface and defect energies in a well-controlled fashion, without any major change to other features. The influence of the newly added term is explored in two-dimensional triangular and honeycomb structures as well as bcc and fcc lattices in three dimensions. In addition, a finite-element method (FEM) is developed for the model that incorporates a mesh refinement scheme. The combination of the FEM and mesh refinement to simulate amplitude expansion with a new energy term provides a method of controlling microscopic features such as defect and interface energies while simultaneously delivering a coarse-grained examination of the system.