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Wetting of low-energy surfaces
Advances in Colloid and Interface Science, 2007Results of current theoretical methods for the calculation of contact angles on low-energy surfaces as functions of composition of solution and surface properties are reviewed.
N V, Churaev, V D, Sobolev
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Mapping potential energy surfaces
The Journal of Chemical Physics, 2004A recently proposed dynamical method [A. Laio and M. Parrinello, Proc. Natl. Acad. Sci. U.S.A. 99, 12562 (2002)] allows us to globally sample the free energy surface. This approach uses a coarse-grained non-Markovian dynamics to bias microscopic atomic trajectories.
Yudong, Wu +2 more
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Fat Fractals on the Energy Surface
Physical Review Letters, 1985For a closed system of two coupled nonlinear oscillators, chaotic orbits are punctuated by holes associated with stable periodic orbits. For the corresponding class of Hamiltonian maps we demonstrate that the combined area for all holes of size epsilon or greater scales as a power law with exponent ..beta.. and asymptotic area 0 < ..mu.. < 1.
, Umberger, , Farmer
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Surface energy of fluorinated surfaces
Journal of Fluorine Chemistry, 1976Abstract By fluorinating the surface of a polymer, the hydrogen bonding energy of a polar surface has been defined. The contact angles for three solvent classes; nonpolar, polar and hydrogen bonding, on a polar surface results in the separation of dispersion, polar, and hydrogen bonding energies.
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The idea of a potential energy surface
Journal of Molecular Structure: THEOCHEM, 1995Abstract The development of the idea of a potential energy surface is examined in the context of solutions to the full quantum mechanical problem specified by the Schrodinger Hamiltonian expressed in laboratory-fixed coordinates.
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On the Methods To Determine Surface Energies
Langmuir, 2000There is a prevailing dispute on methods to determine surface energies of surfaces involving a solid. The most widely used methods are the surface component (STC) theory and the equation of state (EQS) approach. Several versions of these basic theories have been developed, and their predictions for various systems differ but are of the same order of ...
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Energy Relations of the Surface of Solids I. Surface Energy of the Diamond
The Journal of Chemical Physics, 1942From the known structure of the diamond the total surface energy of the crystal has been calculated in terms of the energy of the carbon-carbon bond, and is found to be: 1.50×10−9EB erg cm−2 for the 111 face, and 2.10×10−9EB erg cm−2 for the 100 face, where EB is the energy in ergs per bond. If the bond energy is assumed to be 90 kcal.
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Surface Free Energies and Fracture Surface Energies of Glassy Polymers
1983The importance of energetics in both the bond-forming and the bond-breaking processes is stressed. Surface free energy and other energetic terms related to the bond-breaking process are discussed in detail. Basic fracture mechanics concepts are introduced as a framework in defining several important energetic terms. Effective fracture surface energy, Γ,
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An effective scheme to determine surface energy and its relation with adsorption energy
Acta Materialia, 2021Wang Gao, Qing Jiang, Wang Gao
exaly
Surface Energy and Nucleation Modes
2018Deposition is a manufacturing process in which a precursor material is delivered to a surface on which it reorganizes by interplay between thermodynamics and kinetics. The evolution of the microstructure of the deposit (layers with thicknesses between a few atomic layers and several micrometers [films] or nanostructure distributions or nanostructured ...
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