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Keywords: molecular dynamics (MD) simulations
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Proceedings Papers

A Deep Convolutional Neural Network-Based Method to Predict Accurate Fracture Strength of Poly-Crystalline Graphene

Md. Imrul Reza Shishir, Mohan Surya Raja Elapolu, Alireza Tabarraei
Proc. ASME. IMECE2021, Volume 12: Mechanics of Solids, Structures, and Fluids; Micro- and Nano- Systems Engineering and Packaging, V012T12A012, November 1–5, 2021
Paper No: IMECE2021-70580
DOI: https://doi.org/10.1115/IMECE2021-70580
.... Keywords: Deep convolutional neural network, Molecular dynamics (MD) simulations, fracture stress, Polycrystalline graphene, and Grain boundaries. INTRODUCTION Graphene [1], a single layer of carbon atoms tightly packed in a honeycomb lattice structure, has attracted extensive attention for both...
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Topics: Engineering simulation, Fracture toughness, Graphene, Molecular dynamics, Simulation
Proceedings Papers

Atomistic Molecular Dynamics Simulation Based Failure Criterion of Polycrystalline Graphene Under Biaxial Loading

MD Imrul Reza Shishir, Alireza Tabarraei
Proc. ASME. IMECE2020, Volume 12: Mechanics of Solids, Structures, and Fluids, V012T12A035, November 16–19, 2020
Paper No: IMECE2020-24567
DOI: https://doi.org/10.1115/IMECE2020-24567
... the tensile strength of polycrystalline graphene under biaxial loading at different temperatures. molecular dynamics (MD) simulations polycrystalline graphene biaxial loading failure envelope ATOMISTIC MOLECULAR DYNAMICS SIMULATION BASED FAILURE CRITERION OF POLYCRYSTALLINE GRAPHENE UNDER BIAXIAL...
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Topics: Failure, Graphene, Molecular dynamics simulation
Proceedings Papers

Molecular Dynamics Simulation Based Cohesive Zone Representation of Intergranular Fracture Processes in Bicrystalline Graphene

MD Imrul Reza Shishir, Alireza Tabarraei
Proc. ASME. IMECE2020, Volume 12: Mechanics of Solids, Structures, and Fluids, V012T12A028, November 16–19, 2020
Paper No: IMECE2020-23624
DOI: https://doi.org/10.1115/IMECE2020-23624
... cantilever bicrys- talline graphene sheet. The cohesive zone model is used to inves- tigate the traction separation law to understand the separation- work and strength of grain boundaries. Keywords: Molecular dynamics (MD) simulations, Bicrys- talline graphene, Grain boundaries, Cohesive zone model (CZM...
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Topics: Fracture (Materials), Fracture (Process), Grain boundaries, Graphene, Molecular dynamics simulation, Separation (Technology), Traction