BOP meaning in Academic & Science ?
Answer: What is Bond order potential mean?
Bond order potential is a class of empirical (analytical) interatomic potentials which is used in molecular dynamics and molecular statics simulations. Examples include the Tersoff potential, the EDIP potential, the Brenner potential, the Finnis-Sinclair potentials, ReaxFF, and the second-moment tight-binding potentials.They have the advantage over conventional molecular mechanics force fields in that they can, with the same parameters, describe several different bonding states of an atom, and thus to some extent may be able to describe chemical reactions correctly. The potentials were developed partly independently of each other, but share the common idea that the strength of a chemical bond depends on the bonding environment, including the number of bonds and possibly also angles and bond lengths. It is based on the Linus Pauling bond order concept and can be written in the form
V i j ( r i j ) = V r e p u l s i v e ( r i j ) + b i j k V a t t r a c t i v e ( r i j ) {\displaystyle V_{ij}(r_{ij})=V_{\mathrm {repulsive} }(r_{ij})+b_{ijk}V_{\mathrm {attractive} }(r_{ij})}
This means that the potential is written as a simple pair potential depending on the distance between two atoms r i j {\displaystyle r_{ij}} , but the strength of this bond is modified by the environment of the atom i {\displaystyle i} via the bond order b reference
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