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Molecular Simulation Volume 45, 2019 - Issue 14-15: Recent advances in molecular simulation
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Articles

Structure-properties relations in graphene derivatives and metamaterials obtained by atomic-scale modeling

Dimitrios MaroudasDepartment of Chemical Engineering, University of Massachusetts, Amherst, MA, USACorrespondence[email protected]
ORCID Iconhttps://orcid.org/0000-0001-9297-8839View further author information
ORCID Icon,
Andre R. MunizDepartment of Chemical Engineering, Federal University of Rio Grande do Sul, Porto Alegre, BrazilORCID Iconhttps://orcid.org/0000-0002-8784-012XView further author information
ORCID Icon &
Ashwin RamasubramaniamDepartment of Mechanical and Industrial Engineering, University of Massachusetts, Amherst, MA, USAORCID Iconhttps://orcid.org/0000-0001-6595-7442View further author information
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Pages 1173-1202 | Received 13 Feb 2019, Accepted 19 May 2019, Published online: 25 Jun 2019

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Lijian Song, Youchen Zhang, Jin Zhan, Ying An, Weimin Yang, Jing Tan & Lisheng Cheng. (2022) Interfacial thermal resistance in polymer composites: a molecular dynamic perspective. Molecular Simulation 48:10, pages 902-925.
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Articles from other publishers (5)

Sepehr Yazdani & Veronique Vitry. (2023) RSM models approach for optimization of the mechanical properties of electroless Ni-B-nanodiamond coating: An experimental and molecular dynamic simulation study. Surface and Coatings Technology 452, pages 129133.
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Mengxi Chen, Asanka Weerasinghe, Andre R. Muniz, Ashwin Ramasubramaniam & Dimitrios Maroudas. (2021) Molecular-Dynamics Simulations on Nanoindentation of Graphene-Diamond Composite Superstructures in Interlayer-Bonded Twisted Bilayer Graphene: Implications for Mechanical Metamaterials. ACS Applied Nano Materials 4:8, pages 8611-8625.
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Pradip R. Niraula, Tengfei Cao & Angelo Bongiorno. (2020) Mechanical properties of -bonded carbon and boron nitride 2D membranes: A first principles study . Computational Materials Science 179, pages 109635.
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Mengxi Chen, Augusto M. Christmann, Andre R. Muniz, Ashwin Ramasubramaniam & Dimitrios Maroudas. (2020) Molecular-Dynamics Analysis of Nanoindentation of Graphene Nanomeshes: Implications for 2D Mechanical Metamaterials. ACS Applied Nano Materials 3:4, pages 3613-3624.
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Mengxi Chen, Lin Hu, Ashwin Ramasubramaniam & Dimitrios Maroudas. (2019) Effects of pore morphology and pore edge termination on the mechanical behavior of graphene nanomeshes. Journal of Applied Physics 126:16.
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