We present a consistent dynamical nucleation theory based on density functional theory. By considering the properties of stable droplets in closed volumes, the height and shape of the barrier to nucleation are calculated. Contributions from fluctuations in the center of mass of the nucleating cluster are taken into account. Forward and backward rates for cluster dynamics are obtained, and nucle...

The density functional approach to nucleation is extended to the study of the condensation of associating fluids. We use Wertheim theory for associating liquids in a system of spherical interacting molecules with single association sites. Our calculations show that classical nucleation theory largely underestimates the height of the nucleation barrier in this kind of system, but most of that er...

We extend the density functional approach to the statistical mechanics of inhomogeneous fluids to calculate the rate of heterogeneous nucleation of the gas-to-liquid transition by a planar solid substrate. Comparison with classical nucleation theory ~extended to incorporate the line tension that results from three-phase contact! reveals the inadequacy of the latter approaches as the spinodal is...

We numerically study the nucleation of gray solitons and vortex–antivortex pairs created by a moving impurity in, respectively, 1D and 2D Bose–Einstein condensates (BECs) confined by a parabolic potential. The simulations emulate the motion of a localized laser-beam spot through the trapped condensate. Our results for the 1D case indicate that, due to the inhomogeneity of the BEC density, the c...

The flip chip ultraviolet light-emitting diodes (FC UV-LEDs) with a wavelength of 365 nm are developed with the ex situ reactive plasma deposited (RPD) AlN nucleation layer on patterned sapphire substrate (PSS) by an atmospheric pressure metal-organic chemical vapor deposition (AP MOCVD). The ex situ RPD AlN nucleation layer can significantly reduce dislocation density and thus improve the crys...

Amyloid-β (Aβ) self-assembly into cross-β amyloidfibrils is implicated in a causative role in Alzheimer’s disease pathology.Uncertainties persist regarding the mechanisms of amyloid self assembly and the role of metastable prefibrillar aggregates. Aβ fibrilsfeature a sheet-turn-sheet motif in the constituent β-strands; as such, turn nucleation has been proposed as a rate-limiting step in the se...

Amyloid-β (Aβ) self-assembly into cross-β amyloidfibrils is implicated in a causative role in Alzheimer’s disease pathology.Uncertainties persist regarding the mechanisms of amyloid self assembly and the role of metastable prefibrillar aggregates. Aβ fibrilsfeature a sheet-turn-sheet motif in the constituent β-strands; as such, turn nucleation has been proposed as a rate-limiting step in the se...

Dynamical density-functional simulations reveal structural aspects of crystal nucleation in undercooled liquids: The first appearing solid is amorphous, which promotes the nucleation of bcc crystals but suppresses the appearance of the fcc and hcp phases. These findings are associated with features of the effective interaction potential deduced from the amorphous structure.