Atomistic modeling of amorphous polystyrene: Prediction of mechanical properties

Autor:	F. Sundholm, S. Niemelä, T. Raaska
Rok vydání:	1995
Předmět:	Shear modulus Molecular dynamics Bulk modulus chemistry.chemical_compound Materials science chemistry Computational chemistry Tacticity Modulus Polystyrene Composite material Deformation (engineering) Amorphous solid
Zdroj:	AIP Conference Proceedings.
ISSN:	0094-243X
DOI:	10.1063/1.47681
Popis:	Molecular mechanics and molecular dynamics simulations have been used to predict the mechanical properties of amorphous polystyrene. After constructing a model for amorphous, dense material, static structure deformation and stepwise loading constant stress molecular dynamics were used to predict the elastic constants. Calculated values for Young’s modulus, Poisson’s ratio, bulk modulus and shear modulus are reported as a function of chain tacticity.
Databáze:	OpenAIRE
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