Birth-and-spread growth on the Kossel and a non-Kossel surface

Cuppen, H. M.; Meekes, Hugo; Enckevort, W.J.P. van; Vlieg, E.

doi:10.1016/j.jcrysgro.2005.10.002

Cited by 16 publications

(22 citation statements)

References 11 publications

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“…This approach of using the kink rate to estimate the step velocity has been adopted and justified by Chernov et al, 11,44 Zhang and Nancollas, 10 and Cuppen et al 13,14 to describe Non-Kossel crystal growth. These researchers have shown how to develop expressions for u i when the growth units number no more than three.…”

Section: 2mentioning

confidence: 99%

Spiral Growth Model for Faceted Crystals of Non-Centrosymmetric Organic Molecules Grown from Solution

Kuvadia

Doherty

2011

Crystal Growth & Design

185

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The classical Burton−Cabrera−Frank (BCF) spiral growth model fails to work satisfactorily for many non-centrosymmetric organic molecules such as active pharmaceutical ingredients (APIs), nonlinear optical compounds, etc., due to the inherent assumption of Kossel crystal structure in the solid-state. We develop a more general mechanistic spiral growth model that enables morphology prediction for all kinds of organic molecules. We develop generalized expressions for kink density, kink incorporation rate, and step velocities for such molecules. Stable and unstable edges arising due to the complex bonding pattern are discussed and treated. We demonstrate the applicability of the model by correctly predicting the experimental morphologies of paracetamol and lovastatin grown from solution.

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Section: 2mentioning

confidence: 99%

Spiral Growth Model for Faceted Crystals of Non-Centrosymmetric Organic Molecules Grown from Solution

Kuvadia

Doherty

2011

Crystal Growth & Design

185

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“…The activation barriers for the cation and anion may not be the same. The cation to anion activity ratio (Ca/P) will directly influence the growth rates of crystallization, which will depend on the concentration of the rate-limiting ion rather than simply on supersaturation [8][9][10]. The growth of a multicomponent HAP crystal relies on the relative rates of adsorption and desorption of the various ions or growth units and their desolvation processes [11].…”

Section: Nucleation and Growth Of Calcium Orthophosphate Crystals Fromentioning

confidence: 99%

“…If this rate continues, the world's reserves would last for around 125 years [2]. Apatite [Ca 10 (PO 4 ) 6 (OH,F,Cl) 2 ] is the primary inorganic source of P in phosphate-bearing minerals. Plant roots and microbes, including fungi and bacteria, are able to solubilize P directly from minerals such as apatite [3,4], especially plants that are known to increase plant-available P by promoting dissolution of various phosphate minerals [5].…”

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confidence: 99%

Dynamics of crystallization and dissolution of calcium orthophosphates at the near-molecular level

Wang

et al. 2011

Chin. Sci. Bull.

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Although extensive investigations of biogenic and geological calcium phosphate crystallization/dissolution and their phase transformations have been performed, the mechanisms of crystallization and dissolution of sparingly soluble calcium phosphates in geological settings have not been completely determined at the near-molecular level. In particular, an understanding of the physical-chemical processes at the earliest nucleation stage and the subsequent crystal surface dynamics in soil solutions is lacking. This review focuses on the earliest events in homo/heterogeneous nucleation from an initial supersaturated solution phase, the subsequent growth of calcium phosphate phases, and the relevant influences of the presence of additional inorganic and organic molecules in both geological and biological settings. These studies have implications for the understanding of the complex processes of calcium phosphate transformations in soils, and provide possible physical-chemical mechanisms for the biogeochemical behavior of phosphorus at the near-molecular level. calcium orthophosphates, crystallization, dissolution, AFM Citation:Wang L J, Lu J W, Xu F S, et al. Dynamics of crystallization and dissolution of calcium orthophosphates at the near-molecular level.

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“…(Lasaga and Lü ttge, 2004). Most programs are tailored to specific applications but some are more general (Cuppen et al, 2000(Cuppen et al, , 2002(Cuppen et al, , 2006Hines, 2001;van Veenendaal et al, 2002;Lasaga and Lü ttge, 2003). Our aim is to simulate the evolution of nuclear track etch pits in minerals.…”

Section: Simulationmentioning

confidence: 99%

“…The two operations are separated to avoid cascades. This approach is perhaps less efficient in terms of processor time and memory usage than the more common n-fold way algorithm (Bortz et al, 1975;Cuppen et al, 2000Cuppen et al, , 2002Cuppen et al, , 2006 but it has the advantage that several surface elements can be eliminated during each cycle and that there is no need for time-scaling: each cycle corresponds to an equal unit of real time. The code is written in Sun Microsystems Java TM ; MathWorks Matlab TM was used for evaluating and plotting the results.…”

Section: Simulationmentioning

confidence: 99%

Revelation of nuclear tracks and dislocations: A Monte Carlo simulation of mineral etching

Stübner

Jonckheere

Ratschbacher

2008

Geochimica et Cosmochimica Acta

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Birth-and-spread growth on the Kossel and a non-Kossel surface

Cited by 16 publications

References 11 publications

Spiral Growth Model for Faceted Crystals of Non-Centrosymmetric Organic Molecules Grown from Solution

Spiral Growth Model for Faceted Crystals of Non-Centrosymmetric Organic Molecules Grown from Solution

Dynamics of crystallization and dissolution of calcium orthophosphates at the near-molecular level

Revelation of nuclear tracks and dislocations: A Monte Carlo simulation of mineral etching

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