Recent observations of prenucleation species and multi-stage crystal nucleation processes challenge the long-established view on the thermodynamics of crystal formation. Here, we review and generalize extensions to classical nucleation theory. Going beyond the conventional implementation as has been used for more than a century now, nucleation inhibitors, precursor clusters and non-classical nu...

Here, we describe an improved system for protein crystallization based on heterogeneous nucleation using fluorinated layered silicate. In addition, we also investigated the mechanism of nucleation on the silicate surface. Crystallization of lysozyme using silicates with different chemical compositions indicated that fluorosilicates promoted nucleation whereas the silicates without fluorine did ...

Experimental turn by turn beam position measurements were performed in order to investigate the non-linear beam dynamics in Super-ACO. The aim of these experiments is to get a better understanding of the aperture limiting effects of non-linearities and to check the model used in tracking studies. The amplitudedependent tune shift measurements allow to highlight a strong octupolar-like component...

A theoretical study of the nucleation, size, and structure of diamond phase carbon clusters on Si~111! substrates is presented. Molecular mechanics analysis has been utilized to predict energetically and entropically feasible pathways for nucleation of the carbon clusters. Several mechanistic pathways for nucleation of carbon clusters are examined with CH3 and/or C2H2 as the nucleation precurso...

A large variation is observed in induction times measured under equal conditions in 1 ml solutions. Ruling out experimental errors, this variation originates from the nucleation process. The induction time distribution is explained by the stochastic nature of nucleation if the number of nuclei formed is approaching 1 per vial. Accurate heterogeneous crystal nucleation rates were determined from...

We present results from direct, large-scale molecular dynamics simulations of homogeneous bubble (liquid-to-vapor) nucleation. The simulations contain half a billion Lennard-Jones atoms and cover up to 56 million time steps. The unprecedented size of the simulated volumes allows us to resolve the nucleation and growth of many bubbles per run in simple direct micro-canonical simulations while th...

Polyglutamine (polyQ) expansion mutation causes conformational, neurodegenerative diseases, such as Alzheimer's and Parkinson's diseases. These diseases are characterized by the aggregation of misfolded proteins, such as amyloid fibrils, which are toxic to cells. Amyloid fibrils are formed by a nucleated growth polymerization reaction. Unexpectedly, the critical nucleus of polyQ aggregation was...

The multivariate analysis of nucleation rate dependency on vapor concentration, initiated in Part I [McGraw and Zhang, 2007], is extended to include temperature. Nucleation rate sensitivity to changes in vapor concentration and temperature are described using kinetic extensions of the nucleation theorem (KNTs). The nucleation rate is found to be highly multi-linear in selected KNT-suggested tem...

Kinetic extensions of the nucleation theorem ~KNT! are derived using the law of mass action and detailed balance. Results are obtained for the firstand higher-order derivatives of the nucleation rate, J, with change in supersaturation, S, in terms of the cumulants, kn , of a molecular distribution of reciprocal equilibrium cluster growth rates. At constant temperature we find d ln J/d ln S5k1 1...

[1] Particle number concentration in the troposphere is an important parameter controlling the climate and health impacts of atmospheric aerosols. We show that nucleation rates and total particle number concentrations in the troposphere, predicted by different nucleation schemes, differ significantly. Our extensive comparisons of simulated results with land‐, ship‐, and aircraft‐based measureme...