ISSN:
1573-4900
Keywords:
Bond-order potentials
;
Atomistic simulations
;
Giant magnetoresistance
;
Diamond-like carbon
;
Materials modelling
Source:
Springer Online Journal Archives 1860-2000
Topics:
Mechanical Engineering, Materials Science, Production Engineering, Mining and Metallurgy, Traffic Engineering, Precision Mechanics
Notes:
Summary Materials modelling involves research over a broad range of hierarchies from the electronic at the Ångström length scale, through the atomistic and microstructural, to the continuum at the meter length scale. In this paper the theory of giant magnetoresistance and the simulation of the growth of diamond-like carbon are given as illustrative examples of modelling at the electronic and atomistic length scales, respectively. The question is then addressed as to whether the gap between the electronic and atomistic hierarchies can be bridged by the novel many-atom bond-order potentials that may be derived as an exact description of the covalent bond within the tight-binding approximation to the electronic structure.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1007/BF01185647
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