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)
“Puritanism, in whatever expression, is a poisonous germ. On the surface everything may look strong and vigorous; yet the poison works its way persistently, until the entire fabric is doomed.”
—Emma Goldman (1869–1940)
“... the mass migrations now habitual in our nation are disastrous to the family and to the formation of individual character. It is impossible to create a stable society if something like a third of our people are constantly moving about. We cannot grow fine human beings, any more than we can grow fine trees, if they are constantly torn up by the roots and transplanted ...”
—Agnes E. Meyer (1887–1970)
“Children are intensely invested in getting their way. They will devote more emotional and intellectual energy to winning arguments than parents ever will, and are almost always better rested.”
—Jean Callahan (20th century)
“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)
“O God, that one might read the book of fate,
And see the revolution of the times
Make mountains level, and the continent,
Weary of solid firmness, melt itself
Into the sea.”
—William Shakespeare (1564–1616)