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)
“Nature centres into balls,
And her proud ephemerals,
Fast to surface and outside,
Scan the profile of the sphere;
Knew they what that signified,
A new genesis were here.”
—Ralph Waldo Emerson (1803–1882)
“Out of my discomforts, which were small enough, grew one thing for which I have all my life been grateful—the formation of fixed habits of work.”
—Elizabeth Stuart Phelps (1844–1911)
“After the planet becomes theirs, many millions of years will have to pass before a beetle particularly loved by God, at the end of its calculations will find written on a sheet of paper in letters of fire that energy is equal to the mass multiplied by the square of the velocity of light. The new kings of the world will live tranquilly for a long time, confining themselves to devouring each other and being parasites among each other on a cottage industry scale.”
—Primo Levi (1919–1987)
“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)
“Conscious virtue is the only solid foundation of all happiness; for riches, power, rank, or whatever, in the common acceptation of the word, is supposed to constitute happiness, will never quiet, much less cure, the inward pangs of guilt.”
—Philip Dormer Stanhope, 4th Earl Chesterfield (1694–1773)