Rongzhuang Song¹, Yinbo Zhu^1,*

The International Conference on Computational & Experimental Engineering and Sciences, Vol.30, No.3, pp. 1-1, 2024, DOI:10.32604/icces.2024.012598

Abstract Kink defects are prevalent in nanocellulose. The existence of diverse kink patterns lacking molecular-scale resolution has caused uncertainty regarding the mechanisms governing the formation of different kinks in nanocellulose, including both reversible and irreversible kinks. The constraints resulting from these limitations often lead to significant confusion in exploring the structure-property relationships of nanocellulose. By integrating AFM experiments with molecular dynamics simulations, we examined the microstructure-dependent kink deformations in nanocellulose (Iβ phase) and the resultant local microstructural damages. In atomic force microscopy images, bent nanofibrils typically display minor curvatures, whereas kinked nanofibrils exhibit pronounced sharp bends,… More >

Rongzhuang Song^1,*

The International Conference on Computational & Experimental Engineering and Sciences, Vol.27, No.2, pp. 1-1, 2023, DOI:10.32604/icces.2023.09608

Abstract Kink defects in nanocellulose are ubiquitous yet associated questions remain open regarding the unclear microstructure-mechanical property relationship. Various kink patterns without molecular-scale resolution result in bemusements of how nanocellulose forms different kinks and what the fundamental mechanisms of reversible and irreversible kinks are. In our atomic force microscopy images of mechanically treated cellulose nanofibrils, bent nanofibrils usually exhibit small curvatures while kinked nanofibrils feature sharp bends, in which kinks are conspicuous due to their promiscuous configurations. To identify the nanomechanics of incipient kink defects formed in nanocellulose, molecular dynamics simulations of cellulose nanocrystals (CNCs) under… More >