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The article emphasizes that the overall performance of these materials depends on mechanisms that operate across different time and spatial scales, requiring tailored approaches based on the material type, size, internal structure\/configuration, and the specific properties of interest. Far from attempting to cover the entire spectrum of models, this review examines a wide range of analysis and simulation techniques, highlighting their potential use, some of their weaknesses and strengths, and presenting the latest developments and some application examples. In this way, it is shown how modeling can provide key information for tailoring or designing new materials for specific components or systems or to obtain certain functionalities. At the same time, it is revealed to be an area constantly undergoing development and improvement, as evidenced by the progress made by various of these techniques and the new modeling approaches that have emerged in recent years.<\/jats:p>","DOI":"10.3390\/s24237665","type":"journal-article","created":{"date-parts":[[2024,12,4]],"date-time":"2024-12-04T06:38:25Z","timestamp":1733294305000},"page":"7665","update-policy":"https:\/\/doi.org\/10.3390\/mdpi_crossmark_policy","source":"Crossref","is-referenced-by-count":4,"title":["Modeling Carbon-Based Nanomaterials (CNMs) and Derived Composites and Devices"],"prefix":"10.3390","volume":"24","author":[{"ORCID":"https:\/\/orcid.org\/0000-0002-3031-2107","authenticated-orcid":false,"given":"Agust\u03afn","family":"Chiminelli","sequence":"first","affiliation":[{"name":"Materials and Components Division, Technological Institute of Aragon (ITA), Mar\u00eda de Luna 7, 50018 Zaragoza, Spain"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-8402-9585","authenticated-orcid":false,"given":"Ivan","family":"Radovi\u0107","sequence":"additional","affiliation":[{"name":"Department of Atomic Physics, Vin\u010da Institute of Nuclear Sciences\u2014National Institute of the Republic of Serbia, University of Belgrade, P.O. Box 522, 11001 Belgrade, Serbia"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-3997-3681","authenticated-orcid":false,"given":"Matteo","family":"Fasano","sequence":"additional","affiliation":[{"name":"Department of Energy \u201cGalileo Ferraris\u201d, Politecnico di Torino, Corso Duca degli Abruzzi 24, 10129 Torino, Italy"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-9938-0351","authenticated-orcid":false,"given":"Alessandro","family":"Fantoni","sequence":"additional","affiliation":[{"name":"Department of Electronics, Telecommunication and Computers, Lisbon School of Engineering (ISEL)\/Polytechnic University of Lisbon (IPL), Rua Conselheiro Em\u00eddio Navarro, n\u00ba1, 1959-007 Lisboa, Portugal"},{"name":"CTS\u2014Centre of Technology and Systems and Associated Lab of Intelligent Systems (LASI), 2829-516 Caparica, Portugal"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-5506-2810","authenticated-orcid":false,"given":"Manuel","family":"Laspalas","sequence":"additional","affiliation":[{"name":"Materials and Components Division, Technological Institute of Aragon (ITA), Mar\u00eda de Luna 7, 50018 Zaragoza, Spain"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-3541-0531","authenticated-orcid":false,"given":"Ana","family":"Kalini\u0107","sequence":"additional","affiliation":[{"name":"Department of Atomic Physics, Vin\u010da Institute of Nuclear Sciences\u2014National Institute of the Republic of Serbia, University of Belgrade, P.O. Box 522, 11001 Belgrade, Serbia"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-9686-2777","authenticated-orcid":false,"given":"Marina","family":"Provenzano","sequence":"additional","affiliation":[{"name":"Department of Energy \u201cGalileo Ferraris\u201d, Politecnico di Torino, Corso Duca degli Abruzzi 24, 10129 Torino, Italy"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-0765-474X","authenticated-orcid":false,"given":"Miguel","family":"Fernandes","sequence":"additional","affiliation":[{"name":"Department of Electronics, Telecommunication and Computers, Lisbon School of Engineering (ISEL)\/Polytechnic University of Lisbon (IPL), Rua Conselheiro Em\u00eddio Navarro, n\u00ba1, 1959-007 Lisboa, Portugal"},{"name":"CTS\u2014Centre of Technology and Systems and Associated Lab of Intelligent Systems (LASI), 2829-516 Caparica, Portugal"}]}],"member":"1968","published-online":{"date-parts":[[2024,11,30]]},"reference":[{"key":"ref_1","unstructured":"Rosso, L., and Baas, A. (2017). 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