Nucleation on a solid substrate: A density functional approach
نویسندگان
چکیده
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 approached. Wetting and drying transitions have a large effect on the usefulness of classical theory. Free energies of formation for critical heterogeneous nuclei and their shapes and density profiles are calculated from density functional theory. © 1996 American Institute of Physics. @S0021-9606~96!51704-6#
منابع مشابه
Investigation of Diamond Deposition on AISI 316 & 430 Stainless Steel Substrares
In this paper, the nucleation and growth of diamond/diamond-like coatings on austenitic (AISI 316) and ferritic (AISI 430) stainless steel substrates have been investigated using torch technique. The effects of substrate surface preparation has also been studied. The quality of coatings produced has been examined using optical and scanning electron microscopy, X-ray diffraction, Raman spectros...
متن کاملInvestigation of Diamond Deposition on AISI 316 & 430 Stainless Steel Substrares
In this paper, the nucleation and growth of diamond/diamond-like coatings on austenitic (AISI 316) and ferritic (AISI 430) stainless steel substrates have been investigated using torch technique. The effects of substrate surface preparation has also been studied. The quality of coatings produced has been examined using optical and scanning electron microscopy, X-ray diffraction, Raman spectros...
متن کاملAbstract Submitted for the MAR05 Meeting of The American Physical Society First Principles Simulations of Ice Nucleation at Metal Surfaces
Submitted for the MAR05 Meeting of The American Physical Society First Principles Simulations of Ice Nucleation at Metal Surfaces ANGELOS MICHAELIDES, MATTHIAS SCHEFFLER, Fritz-Haber-Institut — Ice nucleation at solid surfaces is of relevance to countless scientific and technological processes. In particular the nucleation of ice nano-crystals on metal surfaces is often a key first step in clou...
متن کاملStudy of Cis–trans Isomerization Mechanism of [3-(3-Aminomethyl) Phenylazo] Phenyl Acetic Acid as a Causative Role in Alzheimer Using Density Functional Theory
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...
متن کاملStudy of Cis–trans Isomerization Mechanism of [3-(3-Aminomethyl) Phenylazo] Phenyl Acetic Acid as a Causative Role in Alzheimer Using Density Functional Theory
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...
متن کامل