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Abstract Biopolymers and bioinspired materials contribute to the construction of intricate hierarchical structures that exhibit advanced properties. The remarkable toughness and damage tolerance of such multilevel materials are conferred through the hierarchical assembly of their multiscale (i.e., atomistic to macroscale) components and architectures. Here, the functionality and mechanisms of biopolymers and bio‐inspired materials at multilength scales are explored and summarized, focusing on biopolymer nanofibril configurations, biocompatible synthetic biopolymers, and bio‐inspired composites. Their modeling methods with theoretical basis at multiple lengths and time scales are reviewed for biopolymer applications. Additionally, the exploration of artificial intelligence‐powered methodologies is emphasized to realize improvements in these biopolymers from functionality, biodegradability, and sustainability to their characterization, fabrication process, and superior designs. Ultimately, a promising future for these versatile materials in the manufacturing of advanced materials across wider applications and greater lifecycle impacts is foreseen.
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Role of atomistic modeling in bioinspired materials design: A review
Biological materials have consistently intrigued researchers due to their remarkable properties and intricate structure–property-function relationships. Deciphering the pathways through which nature has bestowed its exceptional properties represents a complex challenge. The hierarchical architectures of biomaterials are recognized as the basis for mechanical robustness. Moreover, it is well-established that the intriguing properties of biomaterials arise primarily from the architecture at the nanoscale, particularly the abundant carefully designed interfaces. Driven by the diverse functionality and the increasing comprehension of the underlying design mechanisms in biomaterials, substantial endeavors have been directed toward emulating the architectures and interactions in synthetic materials. By reviewing atomistic modeling of nacre, wood, and coconut endocarp, in this work, we aim at highlighting the significant role of atomistic modeling in revealing nanoscale strengthening and toughening mechanisms of biomaterials, subsequently advancing the development of bioinspired material.
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- PAR ID:
- 10514368
- Editor(s):
- Sinnott, Susan
- Publisher / Repository:
- ELSEVIER
- Date Published:
- Journal Name:
- Computational Materials Science
- Volume:
- 232
- Issue:
- C
- ISSN:
- 0927-0256
- Page Range / eLocation ID:
- 112667
- Format(s):
- Medium: X
- Sponsoring Org:
- National Science Foundation
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- Free Publicly Accessible Full Text
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Accepted Manuscript1.0
- Journal Article:
- https://doi.org/10.1016/j.commatsci.2023.112667
