Calculating The Surface Formation Energy of A Crystalline Solid
In the ab initio calculations, formation energy of the crystalline solid, such as titanium (IV) oxide or magnesium oxide, can be obtained from the following equation:
where corresponds to the energy of the thin film of crystalline oxide, calculated from first principles, n stands for a number of atomic layers forming a model of the surface, while k is the number of repetitive units in a direction normal to the surface. A is the area of the primitive surface unit cell and the is the energy per atomic layer in three-dimensional system.
Read more about this topic: Surface Energy
Famous quotes containing the words calculating the, calculating, surface, formation, energy, crystalline and/or solid:
“[The] elderly and timid single gentleman in Paris ... never drove down the Champs Elysees without expecting an accident, and commonly witnessing one; or found himself in the neighborhood of an official without calculating the chances of a bomb. So long as the rates of progress held good, these bombs would double in force and number every ten years.”
—Henry Brooks Adams (1838–1918)
“I know that the right kind of leader for the Labour Party is a kind of desiccated calculating machine.”
—Aneurin Bevan (1897–1960)
“In Manhattan, every flat surface is a potential stage and every inattentive waiter an unemployed, possibly unemployable, actor.”
—Quentin Crisp (b. 1908)
“The moral virtues, then, are produced in us neither by nature nor against nature. Nature, indeed, prepares in us the ground for their reception, but their complete formation is the product of habit.”
—Aristotle (384–322 B.C.)
“Parents find many different ways to work their way through the assertiveness of their two-year-olds, but seeing that assertiveness as positive energy being directed toward growth as a competent individual may open up some new possibilities.”
—Fred Rogers (20th century)
“The air was so elastic and crystalline that it had the same effect on the landscape that a glass has on a picture, to give it an ideal remoteness and perfection.”
—Henry David Thoreau (1817–1862)
“Conscious virtue is the only solid foundation of all happiness; for riches, power, rank, or whatever, in the common acceptation of the word, is supposed to constitute happiness, will never quiet, much less cure, the inward pangs of guilt.”
—Philip Dormer Stanhope, 4th Earl Chesterfield (1694–1773)