Molecular dynamic simulations of the collision between copper ions, SF 6 molecules and a polyethylene surface: A study of decomposition products and an evaluation of the self-diffusion coefficients

Macromolecular Theory and Simulations

Volumn 19, Issue 2-3, 2010, Pages 88-99

  Duffour, Emmanuel ^a  

^a UNIVERSITÉ CLERMONT AUVERGNE   (France)

Author keywords

Degradation; Diffusion; Molecular dynamics; Polyethylene (PE); Surfaces

Indexed keywords

AUTOCORRELATION FUNCTIONS; BOND-BREAKING; COPPER IONS; DECOMPOSITION PRODUCTS; GREEN-KUBO; HYDROGEN ATOMS; MEAN-SQUARE DISPLACEMENT; MOLECULAR DISORDERS; MOLECULAR DYNAMIC SIMULATIONS; MOLECULAR DYNAMICS SIMULATIONS; MOLECULAR FORMULA; PARTICLE EMISSIONS; PARTICLE VELOCITIES; PLASMA COMPOSITION; POLYETHYLENE CRYSTALS; SELF-DIFFUSION COEFFICIENTS; THEORETICAL RESULT; VELOCITY AUTOCORRELATION FUNCTIONS;

COMPUTER SIMULATION; CORRELATION DETECTORS; DEGRADATION; DIFFUSION IN LIQUIDS; FREE RADICAL REACTIONS; FREE RADICALS; METAL IONS; MOLECULAR DYNAMICS; MOLECULES; REGRESSION ANALYSIS; SURFACES;

THERMOPLASTICS;

EID: 77949779952     PISSN: 10221344     EISSN: 15213919     Source Type: Journal    
DOI: 10.1002/mats.200900040     Document Type: Article

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