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Tensile strength of Iβ crystalline cellulose predicted by molecular dynamics simulation

Cellulose (London), 2014-08, Vol.21 (4), p.2233-2245 [Peer Reviewed Journal]

Springer Science+Business Media Dordrecht 2014 ;Cellulose is a copyright of Springer, (2014). All Rights Reserved. ;ISSN: 0969-0239 ;EISSN: 1572-882X ;DOI: 10.1007/s10570-014-0325-0

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Title:
Tensile strength of Iβ crystalline cellulose predicted by molecular dynamics simulation
Author: Wu, Xiawa ; Moon, Robert J. ; Martini, Ashlie
Subjects: Bioorganic Chemistry ; Cellulose ; Ceramics ; Chemistry ; Chemistry and Materials Science ; Composites ; Computer simulation ; Crystal structure ; Crystalline cellulose ; Crystallinity ; Deformation ; Dynamic mechanical properties ; Elastic anisotropy ; Failure modes ; Glass ; Mechanical properties ; Modulus of elasticity ; Molecular dynamics ; Natural Materials ; Organic Chemistry ; Original Paper ; Physical Chemistry ; Poisson's ratio ; Polymer Sciences ; Strain rate ; Sustainable Development ; Tensile stress ; Yield stress
Is Part Of: Cellulose (London), 2014-08, Vol.21 (4), p.2233-2245
Description: The mechanical properties of I β crystalline cellulose are studied using molecular dynamics simulation. A model I β crystal is deformed in the three orthogonal directions at three different strain rates. The stress–strain behaviors for each case are analyzed and then used to calculate mechanical properties. The results show that the elastic modulus, Poisson’s ratio, yield stress and strain, and ultimate stress and strain are highly anisotropic. In addition, while the properties that describe the elastic behavior of the material are independent of strain rate, the yield and ultimate properties increase with increasing strain rate. The deformation and failure modes associated with these properties and the relationships between the material’s response to tension and the evolution of the crystal structure are analyzed.
Publisher: Dordrecht: Springer Netherlands
Language: English
Identifier: ISSN: 0969-0239
EISSN: 1572-882X
DOI: 10.1007/s10570-014-0325-0
Source: Alma/SFX Local Collection
ProQuest Central

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Tensile strength of Iβ crystalline cellulose predicted by molecular dynamics simulation

Springer Science+Business Media Dordrecht 2014 ;Cellulose is a copyright of Springer, (2014). All Rights Reserved. ;ISSN: 0969-0239 ;EISSN: 1572-882X ;DOI: 10.1007/s10570-014-0325-0

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