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)
“Voluptuaries, consumed by their senses, always begin by flinging themselves with a great display of frenzy into an abyss. But they survive, they come to the surface again. And they develop a routine of the abyss: “It’s four o’clock ... At five I have my abyss.””
—Colette [Sidonie Gabrielle Colette] (1873–1954)
“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)
“For infants and toddlers learning and living are the same thing. If they feel secure, treasured, loved, their own energy and curiosity will bring them new understanding and new skills.”
—Amy Laura Dombro (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)
“If a marriage is going to work well, it must be on a solid footing, namely money, and of that commodity it is the girl with the smallest dowry who, to my knowledge, consumes the most, to infuriate her husband. All the same, it is only fair that the marriage should pay for past pleasures, since it will scarcely procure any in the future.”
—Philip Dormer Stanhope, 4th Earl Chesterfield (1694–1773)