Abstract
A hybrid reverse Monte Carlo (HRMC) algorithm, which incorporates both experimentaland energy based constraints, is applied to investigate the microstructure of two disorderedcarbons of vastly different densities and bonding. We have developed a novel liquidquench procedure which in combination with the HRMC algorithm accuratelydescribes the structure of these solids. Atomic networks generated by this approachare consistent with experimental and ab initio results and the method has beenshown to overcome common difficulties associated with alternative approaches formodelling these complex systems. This procedure produces realistic large scaleatomic structures which give a detailed picture of the structure of these solids.
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