Design and Multi-Objective Optimization of Advanced Nanocomposites

Fredrick Nnaemeka Okeagu¹, Charles Chikwendu Okpala², Chukwuma Godfrey Ono³

^1,3Lecturer, Industrial/Production Engineering Department, Nnamdi Azikiwe University, Awka, Nigeria.

²Professor, Industrial/Production Engineering Department, Nnamdi Azikiwe University, Awka, Nigeria. 

Abstract

Advanced nanocomposites offer unprecedented opportunities for the enhancement of material performance while also reducing environmental burdens; however, the translation of nanoscale innovations into verifiable system-level sustainability benefits remains a major challenge. This study presents a data-driven, multidisciplinary framework that integrates multiscale modeling, materials informatics, and multi-objective optimization to enable nano-to-system-scale design of advanced nanocomposites with measurable sustainability outcomes. High-throughput experimental and simulation data are combined with machine learning surrogate models to map nanoscale structural, interfacial, and processing variables to functional performance and life cycle sustainability indicators. Sustainability metrics, including embodied energy, lifecycle greenhouse gas emissions, and durability-driven service life extension, were embedded directly into the optimization loop as primary objectives. Case studies spanning lightweight structural components, battery thermal management materials, and cementitious infrastructure composites demonstrate consistent and substantial benefits, including 18–35% reductions in embodied energy, 22–41% reductions in lifecycle emissions, and 12–30% increases in component or system lifetime relative to conventional benchmarks. The results reveal that sustainability-optimal designs frequently diverge from performance-maximal solutions, which underscores the necessity of explicit trade-off analysis. Through the linking of nanoscale design decisions to system-level impacts in a transparent and quantitative manner, the proposed framework advances sustainable materials-by-design paradigms and provides a scalable pathway for the acceleration of the development and adoption of high-performance, low-impact nanocomposites across multiple sectors.     

Keywords: Nanocomposites, Data-driven materials design, Multi-objective optimization, Life cycle sustainability, Multiscale modeling, Materials informatics, Sustainable engineering

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