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)
“[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)
“See how peaceful it is here. The sea is everything. An immense reservoir of nature where I roam at will.... Think of it. On the surface there is hunger and fear. Men still exercise unjust laws. They fight, tear one another to pieces. A mere few feet beneath the waves their reign ceases, their evil drowns. Here on the ocean floor is the only independence. Here I am free.”
—Earl Felton, and Richard Fleischer. Captain Nemo (James Mason)
“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.)
“Because humans are not alone in exhibiting such behavior—bees stockpile royal jelly, birds feather their nests, mice shred paper—it’s possible that a pregnant woman who scrubs her house from floor to ceiling [just before her baby is born] is responding to a biological imperative . . . . Of course there are those who believe that . . . the burst of energy that propels a pregnant woman to clean her house is a perfectly natural response to their mother’s impending visit.”
—Mary Arrigo (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)
“The solid, solid universe
Is pervious to Love.”
—Ralph Waldo Emerson (1803–1882)