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:
“What our children have to fear is not the cars on the highways of tomorrow but our own pleasure in calculating the most elegant parameters of their deaths.”
—J.G. (James Graham)
“I know that the right kind of leader for the Labour Party is a kind of desiccated calculating machine.”
—Aneurin Bevan (1897–1960)
“There’s something tragic in the fate of almost every person—it’s just that the tragic is often concealed from a person by the banal surface of life.... A woman will complain of indigestion and not even know that what she means is that her whole life has been shattered.”
—Ivan Sergeevich Turgenev (1818–1883)
“Those who were skillful in Anatomy among the Ancients, concluded from the outward and inward Make of an Human Body, that it was the Work of a Being transcendently Wise and Powerful. As the World grew more enlightened in this Art, their Discoveries gave them fresh Opportunities of admiring the Conduct of Providence in the Formation of an Human Body.”
—Joseph Addison (1672–1719)
“Long before Einstein told us that matter is energy, Machiavelli and Hobbes and other modern political philosophers defined man as a lump of matter whose most politically relevant attribute is a form of energy called “self-interestedness.” This was not a portrait of man “warts and all.” It was all wart.”
—George F. Will (b. 1941)
“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)
“Children can’t make their own rules and no child is happy without them. The great need of the young is for authority that protects them against the consequences of their own primitive passions and their lack of experience, that provides with guides for everyday behavior and that builds some solid ground they can stand on for the future.”
—Leontine Young (20th century)