NpH-MD-Simulations of the Elastic Moduli of Cellulose II at Room Temperatue

• 1 September 1996
• journal article
• Published by Springer Nature in Journal of Molecular Modeling
• Vol. 2  (9) , 278-285
• https://doi.org/10.1007/s0089460020278

Abstract

Keywords

• MATERIAL MODELING
• MD
• MOLECULAR MECHANICS
• STRESS TENSOR
• SHEAR MODULUS
• HEAT CAPACITY
• THERMODYNAMICS
• FREE ENERGY
• THERMAL EXPANSION COEFFICIENT
• ELASTIC MODULI
• MOLECULAR DYNAMIC
• YOUNG S MODULUS
• KINETIC ENERGY