期刊
CARBOHYDRATE POLYMERS
卷 258, 期 -, 页码 -出版社
ELSEVIER SCI LTD
DOI: 10.1016/j.carbpol.2021.117682
关键词
Cellulose nanocrystal; Interface; Stick-slip; Friction; Adhesion; Hydrogen bond
资金
- Swiss National Science Foundation (SNSF) [162957]
- ONR (Office of Naval Research) Director of Research Early Career Award (PECASE) [N00014163175]
Through atomistic simulation, the mechanical behavior of cellulose-cellulose nanocrystal hydrophilic interface was studied, showing the central role of interfacial hydrogen bonds in explaining various findings. The friction force generated by a single hydrogen bond was estimated to be around 1.3 E-10 N under a shearing speed of 1 m/s.
Crystalline cellulose, the most abundant natural polymer on earth, features exceptional physical and mechanical properties. Using atomistic simulation, this study reports the mechanical behavior of cellulose-cellulose nanocrystal hydrophilic interface and systematically examines the impact of loading direction, interfacial moisture, misalignment and surface types. The density, orientation or distribution of interfacial hydrogen bonds are shown to explain the series of findings presented here, including stick-slip behavior, stiffness recovery after an irreversible slip, direction-dependent behavior and weakening induced by hydration or misalignment. Correlation analysis shows that, regardless of the various loading conditions, the interfacial stress, shear velocity and interaction energy are strongly correlated with the density of interfacial hydrogen bonds, which quantitatively supports the central role of hydrogen bonding. Based on this correlation, the friction force rendered by a single hydrogen bond is inferred to be f(HB) similar to 1.3 E-10 N under a shearing speed of 1 m s(-1).
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