Zobrazeno 1 - 10
of 15
pro vyhledávání: '"Mohan S. R. Elapolu"'
Autor:
Alireza Tabarraei, Mohan S. R. Elapolu
Publikováno v:
The Journal of Physical Chemistry C. 125:11147-11158
Molecular dynamics (MD) is employed to study the mechanical and fracture properties of polycrystalline graphene with hydrogenated grain boundaries. Polycrystalline graphene sheets with an average grain size of 4, 6, and 8 nm are considered. The impac
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::f27d4f86f125ff534b545b5934e1c44a
https://doi.org/10.1021/acs.jpcc.1c01328
https://doi.org/10.1021/acs.jpcc.1c01328
Autor:
Mohan S. R. Elapolu, Alireza Tabarraei
Publikováno v:
The Journal of Physical Chemistry A. 124:7060-7070
Using molecular dynamics (MD) simulations, we study the mechanism of stress corrosion cracking in graphene. Two sets of modelings are conducted. In the first one, large graphene sheets with cracks in the armchair and zigzag directions are exposed to
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::e34e92aea735a25445d18f75e0a96829
https://doi.org/10.1021/acs.jpca.0c04758
https://doi.org/10.1021/acs.jpca.0c04758
Autor:
Alireza Tabarraei, Mohan S. R. Elapolu
Publikováno v:
The Journal of Physical Chemistry C. 124:17308-17319
The impact of hydrogenation on the fracture toughness and strength of grain boundaries in graphene are studied. Molecular dynamics (MD) modeling are used to extract the traction–separation laws of ...
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::7d24d4f6513fb66e75fe068d645a8eda
https://doi.org/10.1021/acs.jpcc.0c04122
https://doi.org/10.1021/acs.jpcc.0c04122
Publikováno v:
Volume 12: Mechanics of Solids, Structures, and Fluids; Micro- and Nano- Systems Engineering and Packaging.
A machine learning model is developed to predict the crack propagation path in polycrystalline graphene sheets. The dataset used for training the machine learning (ML) model is obtained from the molecular dynamics (MD) simulations. A training set of
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::c0779407c0a404a73d23a4a4942a9caf
https://doi.org/10.1115/imece2021-70543
https://doi.org/10.1115/imece2021-70543
Publikováno v:
Engineering Fracture Mechanics. 212:1-12
Molecular dynamics modeling is used to study the mechanism of brittle fracture in multi-layer two-dimensional molybdenum disulfide ( MoS 2 ) with a center crack subjected to mode-I loading. The simulation data is used to verify the application of Gri
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::6b031a44313d4540a371e2fe57a5e6d7
https://doi.org/10.1016/j.engfracmech.2019.02.027
https://doi.org/10.1016/j.engfracmech.2019.02.027
Autor:
Alireza Tabarraei, Mohan S. R. Elapolu
Publikováno v:
Volume 12: Mechanics of Solids, Structures, and Fluids.
Molecular dynamic simulations are conducted to understand the fracture properties of bicrystalline graphene sheets containing high angle grain boundaries. In our simulations, hydrogen atoms are adsorbed at the Stone–Wales defect on the grain bounda
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::a76ada2259947e7daa70f38fd3228e39
https://doi.org/10.1115/imece2020-23770
https://doi.org/10.1115/imece2020-23770
Autor:
Alireza Tabarraei, Mohan S. R. Elapolu
Publikováno v:
Volume 12: Mechanics of Solids, Structures, and Fluids.
We use molecular dynamics (MD) simulations to study the stress corrosion cracking (SCC) of monolayer graphene sheets with an initial edge cracks. Two types of edge cracks are considered in the simulations; one with armchair edges and another one with
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::f704ece3e1e3e694e19354a99a7ce926
https://doi.org/10.1115/imece2020-23842
https://doi.org/10.1115/imece2020-23842
Autor:
Alireza Tabarraei, Mohan S. R. Elapolu
Publikováno v:
Computational Materials Science. 144:161-169
We use reverse nonequilibrium molecular dynamics simulations to study thermal conductivity of two–dimensional hexagonal boron nitride (h–BN) nanoribbons containing symmetric tilt grain boundaries. The simulations are conducted on periodic h–BN
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::bf184cb1b905860389a2ad10aa0f1ed5
https://doi.org/10.1016/j.commatsci.2017.12.019
https://doi.org/10.1016/j.commatsci.2017.12.019
Publikováno v:
Computational Materials Science. 201:110878
A machine learning model is proposed to predict the brittle fracture of polycrystalline graphene under tensile loading. The model employs a convolutional neural network, bidirectional recurrent neural network, and fully connected layer to process the
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::d7422f5c73792aac6305f96cbf659965
https://doi.org/10.1016/j.commatsci.2021.110878
https://doi.org/10.1016/j.commatsci.2021.110878
Publikováno v:
Mechanics of Materials. 160:103895
Molecular dynamics simulations are used to study the mechanical and fracture properties of C3N. The impact of initial crack orientation on the crack path is studied by applying tensile strain to C3N sheets containing initial cracks in the armchair an
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::d18197bf823777466dc4ede707333463
https://doi.org/10.1016/j.mechmat.2021.103895
https://doi.org/10.1016/j.mechmat.2021.103895