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Surface energy and solute strain energy effects in surface segregation

Surface Science, 1977
Abstract Previous models of surface segregation have generally been based on the assumption that a decrease in surface free energy constitutes the predominant driving force for the phenomenon. In contrast, grain boundary segregation models have been founded on the postulate that the major driving force for that phenomenon is the reduction in lattice ...
P. Wynblatt, R.C. Ku
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Mapping potential energy surfaces

The Journal of Chemical Physics, 2004
A 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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Surface energy of fluorinated surfaces

Journal of Fluorine Chemistry, 1976
Abstract 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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Surface Energy

2018
<p> <p style="text-align:justify;"> <span style="font-size:12px;font-family:&quot;">The Present Author believes that “Surface Energy” could be used as a Tool as well as platform in Designing and Analyzing various Problems faced by the Engineering Systems.
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The idea of a potential energy surface

Journal of Molecular Structure: THEOCHEM, 1995
Abstract 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, 2000
There 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 and Foliations on Riemann Surfaces

Annals of Global Analysis and Geometry, 2005
Let \(M\) be a closed Riemann surface with a smooth metric \(g\), compatible with the complex structure of \(M\), and having constant curvature \(K\). Let \(\mu\) be the volume form on \(M\) induced by \(g\). Let \(\mathcal{F}\) be a foliation of \(M\) given by a unit vector field \(X\) with isolated singularities at \(a_1,\dots ,a_m\) with respective ...
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Energy Relations of the Surface of Solids I. Surface Energy of the Diamond

The Journal of Chemical Physics, 1942
From 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 Energy and Nucleation Modes

2018
Deposition 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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