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)
“Sin in this country has been always said to be rather calculating than impulsive.”
—Frank Moore Colby (1865–1925)
“A novelist is, like all mortals, more fully at home on the surface of the present than in the ooze of the past.”
—Vladimir Nabokov (1899–1977)
“It is because the body is a machine that education is possible. Education is the formation of habits, a superinducing of an artificial organisation upon the natural organisation of the body.”
—Thomas Henry Huxley (1825–1895)
“All my energy and attention were devoted to trying to help her solve her problems. Unfortunately I didn’t have much success.”
—Arthur Miller (b. 1915)
“While the stars that oversprinkle
All the heavens, seem to twinkle
With a crystalline delight;
Keeping time, time, time,
In a sort of Runic rhyme,
To the tintinnabulation that so musically wells
From the bells, bells, bells, bells,”
—Edgar Allan Poe (1809–1849)
“Nothing can save us from a perpetual headlong fall into a bottomless abyss but a solid footing of dogma; and we no sooner agree to that than we find that the only trustworthy dogma is that there is no dogma.”
—George Bernard Shaw (1856–1950)