Skip to Main Content
Tensile strength of Iß crystalline cellulose predicted by molecular dynamics simulationAuthor(s): Xiawa Wu; Robert J. Moon; Ashlie Martini
Source: Cellulose Volume 21 2014; pp. 2233-2245
Publication Series: Scientific Journal (JRNL)
Station: Forest Products Laboratory
View PDF (887.02 KB)
DescriptionThe mechanical properties of Iß crystalline cellulose are studied using molecular dynamics simulation. A model Iß 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.
- We recommend that you also print this page and attach it to the printout of the article, to retain the full citation information.
- This article was written and prepared by U.S. Government employees on official time, and is therefore in the public domain.
CitationWu, Xiawa; Moon, Robert J.; Martini, Ashlie. 2014. Tensile strength of Iß crystalline cellulose predicted by molecular dynamics simulation. Cellulose Volume 21 2014; pp. 2233-2245.
Keywordscellulose, tensile strength, failure, elastic modulus, Poisson's ratio, molecular dynamics
- Mechanical properties of individual southern pine fibers. Part I. Determination and variability of stress-strain curves with respect to tree height and juvenility
- Mechanical properties of individual southern pine fibers. Part I. Determination of variability of stress-strain curves with respect to tree height and juvenility
- Effects of shear coupling on shear properties of wood
XML: View XML