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Updated: Jun 3, 2026

Optimization of Crystal Growth for Neutron Macromolecular Crystallography
Published on: March 13, 2021
Extended phase diagram of the three-dimensional phase field crystal model
1Department of Applied Physics, Aalto University School of Science and Technology, PO Box 11000, FI-00076 Aalto, Finland. Akusti.Jaatinen@tkk.fi
Abstract:
We determine the phase diagram of the phase field crystal model in three dimensions by using numerical free energy minimization methods. Previously published results, based on single mode approximations, have indicated that in addition to the uniform (liquid) phase, there would be regions of stability of body-centered cubic, hexagonal and stripe phases. We find that in addition to these, there are also regions of stability of face-centered cubic and hexagonal close packed structures in this model.
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