Abstract

Abstract Recent advances in biomedicine largely rely on the development in nanoengineering. As the access to unique properties in biomaterials is not readily available from traditional techniques, the nanoengineering becomes an effective approach for research and development, by which the performance as well as the functionalities of biomaterials has been greatly improved and enriched. This review focuses on the main materials used in biomedicine, including metallic materials, polymers, and nanocomposites, as well as the major applications of nanoengineering in developing biomedical treatments and techniques. Research that provides an in-depth understanding of material properties and efficient enhancement of material performance using molecular dynamics simulations from the nanoengineering perspective are discussed. The advanced techniques which facilitate nanoengineering in biomedical applications are also presented to inspire further improvement in the future. Furthermore, the potential challenges of nanoengineering in biomedicine are evaluated by summarizing concerned issues and possible solutions.

Highlights

  • The development in materials science as well as the innovations in engineering and technologies has shapedNanoengineering enables the manipulation of nanostructures from the atomistic and molecular levels and the production of nanomaterials with programmed functions

  • The materials encountered in biomedical applications, in- understanding of the common materials in biomedicine cluding metallic materials, polymers, and nanocompo- based on nanoengineering is summarized sites, are selected and summarized with their special and the results from molecular dynamics (MD) simulations will streamline the functions in human body and biomedical devices

  • Based on the concept of nanoengineering, MD simulations are powerful in uncovering nanoscale conformational information and molecular interactions during physical and chemical processes which control macroscopic properties behind symptoms induced by diseases in human body and degradation caused by environmental factors in devices

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Summary

Introduction

Nanoengineering enables the manipulation of nanostructures from the atomistic and molecular levels and the production of nanomaterials with programmed functions. The organized crystalline or amorphous structures in these systems at the nanoscale offer various special properties which contribute to practical biomedical 2 Development of materials in applications. The state-of-the-art process and question of how design parameters of materials control development of nanoengineering using computational physical, chemical, and mechanical properties has not simulations in biomedicine are reviewed. The materials encountered in biomedical applications, in- understanding of the common materials in biomedicine cluding metallic materials, polymers, and nanocompo- based on nanoengineering is summarized sites, are selected and summarized with their special and the results from MD simulations will streamline the functions in human body and biomedical devices. The material phenomena in multicomponent high-entropy alloy and composites are investigated based on this potential [21,22] These studies provide appropriate forcefields and corresponding validations for various metallic systems in nanoengineering. The nanoengineering has extended the exploration of metallic materials at the nanoscale, which provides more valuable information for industrial applications of biomedical devices and therapeutics using metallic materials

Polymeric materials
Natural polymers
Synthetic polymers
Nanocomposites
Development of advanced computational techniques in nanoengineering
Modeling approach with ML
Material design using ML
Key challenges
Conclusions
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