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Universal binding-energy relation, UBER

A relationship between the bonding in diatomic molecules and in solids has been demonstrated. It follows from the so-called Universal Binding Energy Relation (UBER), applicable to both metals and covalent diatomic molecules. The energy and the interatomic separation are scaled in the following way ... [Pg.194]

One of the cleanest routes to determining embedding functions is by invoking the universal binding energy relation (UBER) (Rose et al. 1984). On the basis of a vast collection of experience with first-principles calculations of a range of materials, it was found that the total energy as a function of lattice parameter may be fitted to... [Pg.169]

Fig. 11.1 A comparison of behaviors of the mean normal-stress (negative-pressure) response to dilatation predicted, from top to bottom, by the universal binding-energy relation (UBER), and from the responses of the 1.815-nm-sized cubical simulation cell, the 2.615-nm-sized cubical cell, and the 3.396-nm-sized cubical cell (from Mott et al. (1993a) courtesy of Taylor Francis). Fig. 11.1 A comparison of behaviors of the mean normal-stress (negative-pressure) response to dilatation predicted, from top to bottom, by the universal binding-energy relation (UBER), and from the responses of the 1.815-nm-sized cubical simulation cell, the 2.615-nm-sized cubical cell, and the 3.396-nm-sized cubical cell (from Mott et al. (1993a) courtesy of Taylor Francis).

See other pages where Universal binding-energy relation, UBER is mentioned: [Pg.346]    [Pg.192]    [Pg.346]    [Pg.192]    [Pg.208]   
See also in sourсe #XX -- [ Pg.95 ]




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