Accession Number:



Validated Predictive Modeling of Engineered Cellulose Materials

Descriptive Note:

[Technical Report, Final Report]

Corporate Author:

Northwestern University Evanston Campus

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Engineered nanocellulose assemblies are renewable nanomaterials that exhibit unique properties in paper and film forms, such as molecular mechanisms that concurrently improve both strength and toughness. The objective of this research project was to establish the theoretical link between cellulose nanocrystal CNC interface characteristics and the fracture toughness of engineered CNC neat films and nanocomposites. In pursuit of this objective, we carried out two research thrusts. Thrust I aimed to explain the role of CNC surface functionalization on interfacial IF and interphase IP characteristics. Thrust II focused on establishing predictive models of IF and IP characteristics for nanocomposites. We developed an atomistically informed multi-scale modeling strategy for CNC neat films and nanocomposites that allows us to now predict how CNC interface chemistry, dimensions, and alignment influence the strength, toughness, and elasticity of neat films, as well as key thermomechanical properties of nanocomposites. Fundamental studies carried out helped us describe strategies to best utilize nanocellulose for applications such as ballistic protection materials and structural nanocomposites of great relevance to the US Army.

Subject Categories:

  • Plastics
  • Mechanics

Distribution Statement:

[A, Approved For Public Release]