References

Construction Zone is an open-source project developed within a greater ecosystem of open-source scientific software.

If you use Construction Zone in your own work, we kindly ask that you cite the following:

The following work and packages were crucial to the development of Construction Zone:

HMvdW+20

Charles R. Harris, K. Jarrod Millman, Stéfan J van der Walt, Ralf Gommers, Pauli Virtanen, David Cournapeau, Eric Wieser, Julian Taylor, Sebastian Berg, Nathaniel J. Smith, Robert Kern, Matti Picus, Stephan Hoyer, Marten H. van Kerkwijk, Matthew Brett, Allan Haldane, Jaime Fernández del Río, Mark Wiebe, Pearu Peterson, Pierre Gérard-Marchant, Kevin Sheppard, Tyler Reddy, Warren Weckesser, Hameer Abbasi, Christoph Gohlke, and Travis E. Oliphant. Array programming with NumPy. Nature, 585:357–362, 2020. doi:10.1038/s41586-020-2649-2.

LMB+17

Ask Hjorth Larsen, Jens Jørgen Mortensen, Jakob Blomqvist, Ivano E Castelli, Rune Christensen, Marcin Dułak, Jesper Friis, Michael N Groves, Bjørk Hammer, Cory Hargus, Eric D Hermes, Paul C Jennings, Peter Bjerre Jensen, James Kermode, John R Kitchin, Esben Leonhard Kolsbjerg, Joseph Kubal, Kristen Kaasbjerg, Steen Lysgaard, Jón Bergmann Maronsson, Tristan Maxson, Thomas Olsen, Lars Pastewka, Andrew Peterson, Carsten Rostgaard, Jakob Schiøtz, Ole Schütt, Mikkel Strange, Kristian S Thygesen, Tejs Vegge, Lasse Vilhelmsen, Michael Walter, Zhenhua Zeng, and Karsten W Jacobsen. The atomic simulation environment—a python library for working with atoms. Journal of Physics: Condensed Matter, 29(27):273002, jun 2017. doi:10.1088/1361-648x/aa680e.

ORJ+13

Shyue Ping Ong, William Davidson Richards, Anubhav Jain, Geoffroy Hautier, Michael Kocher, Shreyas Cholia, Dan Gunter, Vincent L. Chevrier, Kristin A. Persson, and Gerbrand Ceder. Python materials genomics (pymatgen): a robust, open-source python library for materials analysis. Computational Materials Science, 68:314–319, 2013. doi:https://doi.org/10.1016/j.commatsci.2012.10.028.

RE20

J. Magnus Rahm and Paul Erhart. Wulffpack: a python package for wulff constructions. Journal of Open Source Software, 5(45):1944, 2020. doi:10.21105/joss.01944.

VGO+20

Pauli Virtanen, Ralf Gommers, Travis E. Oliphant, Matt Haberland, Tyler Reddy, David Cournapeau, Evgeni Burovski, Pearu Peterson, Warren Weckesser, Jonathan Bright, Stéfan J. van der Walt, Matthew Brett, Joshua Wilson, K. Jarrod Millman, Nikolay Mayorov, Andrew R. J. Nelson, Eric Jones, Robert Kern, Eric Larson, C J Carey, İlhan Polat, Yu Feng, Eric W. Moore, Jake VanderPlas, Denis Laxalde, Josef Perktold, Robert Cimrman, Ian Henriksen, E. A. Quintero, Charles R. Harris, Anne M. Archibald, Antônio H. Ribeiro, Fabian Pedregosa, Paul van Mulbregt, and SciPy 1.0 Contributors. SciPy 1.0: Fundamental Algorithms for Scientific Computing in Python. Nature Methods, 17:261–272, 2020. doi:10.1038/s41592-019-0686-2.

For more background on Wulff constructions and the algorithms adapted from WulffPack:

HM84

A. Howie and L. D. Marks. Elastic strains and the energy balance for multiply twinned particles. Philosophical Magazine A, 49(1):95–109, 1984. doi:10.1080/01418618408233432.

Mar83

L.D. Marks. Modified wulff constructions for twinned particles. Journal of Crystal Growth, 61(3):556–566, 1983. doi:https://doi.org/10.1016/0022-0248(83)90184-7.

Win67

W.L Winterbottom. Equilibrium shape of a small particle in contact with a foreign substrate. Acta Metallurgica, 15(2):303–310, 1967. doi:https://doi.org/10.1016/0001-6160(67)90206-4.

Wul01

G. Wulff. Xxv. zur frage der geschwindigkeit des wachsthums und der auflösung der krystallflächen. Zeitschrift für Kristallographie - Crystalline Materials, 34(1-6):449–530, 1901. doi:doi:10.1524/zkri.1901.34.1.449.