Computational Schemes in the Design of Novel Materials for Energy Savings
The current demand for lightweight energy efficient materials in industries to help in addressing the current challenges faced in reducing green house gas emissions is one of the motivations behind innovative material design. This paper has tried to review in particular the importance of the hierarchical multiscale modelling strategy in the design of novel lightweight materials. It also highlights on one of the hierarchical multiscale modelling methodologies from ab-initio level to macro level in predicting macroscopic material behaviour and the impact this simulation strategy will have on the development of innovative materials. It highlights on the limitations of this modelling strategy such as: the unreasonable computational time associated with the relaxation of polymeric chains or entanglements as well as scale bridging approaches between low level and high level models which are areas of current research interest.
Keywords: Multiscale modelling, lightweight materials, energy-efficiency, scale bridging, length scale.
In accordance with the Copyright Act of 1976, which became effective January 1, 1978, the following statement signed by each author must accompany the manuscript submitted: "I, the undersigned author, transfer all copyright ownership of the manuscript referenced above to the Nigerian Journal of Technological Development, in the event the work is published. I warrant that the article is original, does not infringe upon any copyright or other proprietary right of any third party, is not under consideration by another journal, and has not been published previously. I have reviewed and approve the submitted version of the manuscript and agree to its publication in the Nigerian Journal of Technological Development." A copyright transfer form may be downloaded from the NJTD Website (http://njtd.com.ng/index.php/njtd). Author(s) will be consulted, whenever possible, regarding republication of material. All authors must have access to the data presented and the authors and sponsor (if applicable) must agree to share original data with the editor if requested.