<i>CrystalGrower</i>: a generic computer program for Monte Carlo modelling of crystal growth.

From Europe PMC via Jisc Publications RouterHistory: ppub 2020-11-01, epub 2020-11-18Publication status: PublishedA Monte Carlo crystal growth simulation tool, CrystalGrower, is described which is able to simultaneously model both the crystal habit and nanoscopic surface topography of any crystal structure under conditions of variable supersaturation or at equilibrium. This tool has been developed in order to permit the rapid simulation of crystal surface maps generated by scanning probe microscopies in combination with overall crystal habit. As the simulation is based upon a coarse graining at the nanoscopic level features such as crystal rounding at low supersaturation or undersaturation conditions are also faithfully reproduced. CrystalGrower permits the incorporation of screw dislocations with arbitrary Burgers vectors and also the investigation of internal point defects in crystals. The effect of growth modifiers can be addressed by selective poisoning of specific growth sites. The tool is designed for those interested in understanding and controlling the outcome of crystal growth through a deeper comprehension of the key controlling experimental parameters

AFM analysis of erionite and offretite crystals: In-situ AFM dissolution movies

Deposited here are videos of AFM dissolution experiments on offretite-erionite intergrowths. Further information on videos is given in the file named 'Video_information'. The data presented here accompanies work outlined in the chapter of the same name in the thesis "A Computational and Atomic Force Microscopy Study on the Crystallisation of Disordered Zeolites" by Mollie Trueman

CrystalGrower: Graphical User Interface

This distribution contains a Tkinter based graphical user interface for CrystalGrower Monte Carlo crystal-growth software. Described in: M.W. Anderson et al., Nature, 544, 2017, 456-459 and A. R. Hill et al., Chemical Science, 12, 2021, 1126-1146. The code presented here accompanies work outlined in the thesis chapter “Development of a Graphical User Interface for CrystalGrower”. Whilst the GUI is open source, the main CrystalGrower program is not and is therefore not included as part of this distribution. The GUI will not be fully functional until an executable for this software is added to the package. For further information on use of CrystalGrower, visit crystalgrower.org

CrystalGrower: a generic computer program for Monte Carlo modelling of crystal growth

A Monte Carlo crystal growth simulation tool, CrystalGrower, is described which is able to simultaneously model both the crystal habit and nanoscopic surface topography of any crystal structure under conditions of variable supersaturation or at equilibrium. This tool has been developed in order to permit the rapid simulation of crystal surface maps generated by scanning probe microscopies in combination with overall crystal habit. As the simulation is based upon a coarse graining at the nanoscopic level features such as crystal rounding at low supersaturation or undersaturation conditions are also faithfully reproduced. CrystalGrower permits the incorporation of screw dislocations with arbitrary Burgers vectors and also the investigation of internal point defects in crystals. The effect of growth modifiers can be addressed by selective poisoning of specific growth sites. The tool is designed for those interested in understanding and controlling the outcome of crystal growth through a deeper comprehension of the key controlling experimental parameters

CrystalGrower: a generic computer program for Monte Carlo modelling of crystal growth

A Monte Carlo crystal growth simulation tool, CrystalGrower, is described which is able to simultaneously model both the crystal habit and nanoscopic surface topography of any crystal structure under conditions of variable supersaturation or at equilibrium. This tool has been developed in order to permit the rapid simulation of crystal surface maps generated by scanning probe microscopies in combination with overall crystal habit. As the simulation is based upon a coarse graining at the nanoscopic level features such as crystal rounding at low supersaturation or undersaturation conditions are also faithfully reproduced. CrystalGrower permits the incorporation of screw dislocations with arbitrary Burgers vectors and also the investigation of internal point defects in crystals. The effect of growth modifiers can be addressed by selective poisoning of specific growth sites. The tool is designed for those interested in understanding and controlling the outcome of crystal growth through a deeper comprehension of the key controlling experimental parameters.publishedVersio

: a generic computer program for Monte Carlo modelling of crystal growth.

From PubMed via Jisc Publications RouterPublication status: epublishA Monte Carlo crystal growth simulation tool, , is described which is able to simultaneously model both the crystal habit and nanoscopic surface topography of any crystal structure under conditions of variable supersaturation or at equilibrium. This tool has been developed in order to permit the rapid simulation of crystal surface maps generated by scanning probe microscopies in combination with overall crystal habit. As the simulation is based upon a coarse graining at the nanoscopic level features such as crystal rounding at low supersaturation or undersaturation conditions are also faithfully reproduced. permits the incorporation of screw dislocations with arbitrary Burgers vectors and also the investigation of internal point defects in crystals. The effect of growth modifiers can be addressed by selective poisoning of specific growth sites. The tool is designed for those interested in understanding and controlling the outcome of crystal growth through a deeper comprehension of the key controlling experimental parameters. [Abstract copyright: This journal is © The Royal Society of Chemistry.

Growing crystals by design: general discussion

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