First principles simulation of phase transition in amorphous carbon (Q2847439)
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scientific article; zbMATH DE number 6207152
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| English | First principles simulation of phase transition in amorphous carbon |
scientific article; zbMATH DE number 6207152 |
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9 September 2013
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two-phase and multiphase flows
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dynamic and nonequilibrium phase transitions
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crystals
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thermal quantum field theory
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First principles simulation of phase transition in amorphous carbon (English)
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The model of the phase transition in an amorphous carbon based on the quantum mechanical molecular dynamics is formulated and it is used for analysis of the atomic structure of samples. It is shown that the transformation of the amorphous carbon structure with a large resistance to the crystal structure with a small resistance can be explined by heat effects.
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0.777346670627594
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0.7677262425422668
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0.6709827780723572
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