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The term's origin goes back to vector field which is a function that returns a vector for any given point in space (as in the image below on the left). We can almost "see" that such fields exist, by putting iron filings and a magnet on a sheet of paper (the magnetic field causes the iron filings to move accordingly): In classical molecular ...


15

What is a force field? The Wikipedia entry on this is a good resource, but I'll give my own description below. In the context of molecular dynamics (MD), a force field is one way of describing the interactions between atoms. In classical MD, the motion of atoms is determined by the instantaneous forces acting on the atoms (i.e., we need forces in order to ...


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Molecular dynamics is based in Molecular Mechanics. Molecular Mechanics do many approximations in order to treat the atomic/molecular system. A good definition can be seen here: Molecular Mechanics is a computational method that computes the potential energy surface for a particular arrangement of atoms using potential functions that are derived using ...


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Independent of facing a 3D sample, or one of 2D/2.5D, IUCr's definition applies to both of them when stating «There are two definitions of the notion of quasicrystal. A quasicrystal is an aperiodic crystal that is not an incommensurate modulated structure, nor an aperiodic composite crystal. Often, quasicrystals have crystallographically 'forbidden' ...


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