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)
“And yet we constantly reclaim some part of that primal spontaneity through the youngest among us, not only through their sorrow and anger but simply through everyday discoveries, life unwrapped. To see a child touch the piano keys for the first time, to watch a small body slice through the surface of the water in a clean dive, is to experience the shock, not of the new, but of the familiar revisited as though it were strange and wonderful.”
—Anna Quindlen (b. 1952)
“I want you to consider this distinction as you go forward in life. Being male is not enough; being a man is a right to be earned and an honor to be cherished. I cannot tell you how to earn that right or deserve that honor. . . but I can tell you that the formation of your manhood must be a conscious act governed by the highest vision of the man you want to be.”
—Kent Nerburn (20th century)
“The chief function of the city is to convert power into form, energy into culture, dead matter into the living symbols of art, biological reproduction into social creativity.”
—Lewis Mumford (1895–1990)
“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 and well-defined fir-tops, like sharp and regular spearheads, black against the sky, gave a peculiar, dark, and sombre look to the forest.”
—Henry David Thoreau (1817–1862)