ABC of Kink Kinetics and Density in a Complex Solution

Chernov, A. A.; Rashkovich, L. N.; DeYoreo, J. J.

doi:10.1063/1.2751908

Cited by 9 publications

(20 citation statements)

References 3 publications

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“…The kink rate, u , is the net incorporation rate into a kink site. For centrosymmetric systems, u can be calculated from the difference between rates of kink attachment ( j + ) and detachment ( j – ): ,,− …”

Section: Centrosymmetric Step Velocitiesmentioning

confidence: 99%

“…The step velocity essentially depends on two factors: the concentration of kinks on the step (the kink density) and the net rate of growth unit incorporation into those kink sites (the kink rate). ,− Kink sites on the step edge are the favorable positions for growth unit attachment and assimilation into the lattice, since no additional surfaces are created and solid-state interactions can be formed in kink, terrace, and edge directions. ,, …”

Section: Introductionmentioning

confidence: 99%

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Modeling Step Velocities and Edge Surface Structures during Growth of Non-Centrosymmetric Crystals

Tilbury

Joswiak

Peters

et al. 2017

Crystal Growth & Design

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Almost all molecules are non-centrosymmetric, which produces interaction anisotropy within a crystal lattice. This anisotropy generates multiple types of kink sites on each crystal step and repeating patterns of rows with different growth units from the perspective of the lattice interaction environment, even for pure molecular crystals. As a result, unstable edge rows may be generated that dissolve under conditions of crystal growth. A method to account for edge surface structures, considering such effects, is required to accurately model the step velocity, which is vital for a mechanistic description of crystal growth. We classify both thermodynamic and kinetic contributions to step row instability and develop expressions for kink densities and step velocities that capture these important non-centrosymmetric phenomena. To demonstrate the utility of our framework, we consider in depth the case of an alternating-row A–B step. Our mechanistic predictions compare favorably to kinetic Monte Carlo simulations across a wide range of interaction anisotropy.

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Section: Centrosymmetric Step Velocitiesmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Modeling Step Velocities and Edge Surface Structures during Growth of Non-Centrosymmetric Crystals

Tilbury

Joswiak

Peters

et al. 2017

Crystal Growth & Design

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“…A forward step velocity is achieved through a positive net rate of growth unit attachment to the step edge and the most stable positions for attachment are at kink sites [11,12,14,[64][65][66][67][68]. Attachment at and detachment from kink sites are the competing kinetic processes that influence the step velocity on each edge on each face [69], which in turn influences growth rates and the crystal shape. Surface physics and chemistry (including the growth environment) define the rates of these processes.…”

Section: Modified Attachment Energy (Mae) Modelsmentioning

confidence: 99%

“…Both the crystal surface and solute growth units in solution are solvated, so desolvation must occur upon approach of a growth unit to the surface in order for attachment to occur. This required desolvation represents the principal energetic barrier in solution growth [67,69], which can be significant and often leads to a kinetic regime where the attachment process determines the rate of crystal growth.…”

Section: Solution Growthmentioning

confidence: 99%

A design aid for crystal growth engineering

Tilbury

Kim

et al. 2016

Progress in Materials Science

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With the highly competitive development of chemical and pharmaceutical industries, mastering crystal growth is becoming increasingly necessary. Modern industrial manufacturers place high importance on the ability to grow crystals with a specific habit using tailored operating conditions. A detailed understanding of crystal growth is, therefore, vital for researchers in crystallography and crystallization to respond and realize this objective. Various models to predict crystal shape in the literature are reviewed here. The most commonly adopted are usually non-mechanistic and limited in their predictive power and utility, especially for products of industrial interest. Mechanistic models offer far more potential for rational crystal design, but

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“…As it can be seen from Figure 1 and Figure 2, growth rates of KDP crystals in {100} direction after dissolution and refaceting pertain to one maximum. Growth and saturation temperatures T and 0 In order to determine the most suitable correlation between the KDP crystal growth rate in {100} direction and supersaturation and to determine crystal growth mechanism in the supersaturation range 6.18 -14.72%, experimental data were fitted with equation (1)(2)(3)(4)(5)(6)(7)(8). Goodness of the fit is tested with Chi-square test.…”

Section: Resultsmentioning

confidence: 99%

Growth Mechanism of KDP Crystals From Aqueous Solutions

Maksimović¹,

Misailović²,

Mitrovic³

et al. 2017

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The results of the effect of the growth history on Potassium Dihydrogen Phosphate (KDP) crystals growth mechanism are presented in the paper. Crystals were grown in temperature range of from aqueous solutions, saturated at . Two types of the experiments were performed. In both types, after the nucleation at crystals were grown at the same temperature for about 1.5 hour and then dissolved at temperature for about 15 min. After refaceting, in the first type, the crystal growth started at , followed by the temperature increasing in steps of to . In the second type, after refaceting the crystal growth started at , followed by the temperature decreasing in steps of to . Obtained results indicate that KDP crystals growth mechanisms do not depend on growth history. They are discussed in accordance with the current theories.

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ABC of Kink Kinetics and Density in a Complex Solution

Cited by 9 publications

References 3 publications

Modeling Step Velocities and Edge Surface Structures during Growth of Non-Centrosymmetric Crystals

Modeling Step Velocities and Edge Surface Structures during Growth of Non-Centrosymmetric Crystals

A design aid for crystal growth engineering

Growth Mechanism of KDP Crystals From Aqueous Solutions

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