Atomic understanding of structural deformations upon ablation of graphene
Abstract We investigate the atomic rearrangement in graphene under femtosecond pulse illumination with reactive molecular dynamics simulations and compare with ultra‐fast laser ablation experiments. To model the impact of the laser pulse irradiation, heat is locally applied to a selected area of the...
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Wiley-VCH
2021
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oai:doaj.org-article:256805ea00be4390b97ddead1636ba412021-11-10T13:30:47ZAtomic understanding of structural deformations upon ablation of graphene2688-401110.1002/nano.202000248https://doaj.org/article/256805ea00be4390b97ddead1636ba412021-11-01T00:00:00Zhttps://doi.org/10.1002/nano.202000248https://doaj.org/toc/2688-4011Abstract We investigate the atomic rearrangement in graphene under femtosecond pulse illumination with reactive molecular dynamics simulations and compare with ultra‐fast laser ablation experiments. To model the impact of the laser pulse irradiation, heat is locally applied to a selected area of the graphene layer and the resulting structural deformation is simulated as a function of time, providing a detailed understanding of the bond breaking process under laser illumination and subsequent re‐equilibration after the pulse is turned off. Analysis of the atomic dynamics indicates that the types of defects formed depend on the pulse energy and exposure duration. By varying the exposed area, we determine that the shape of the ablated area is not only a function of the pulse energy, but also of the beam spot size and pulse repetition. Furthermore, we apply a machine learning approach to extrapolate our simulated data to experimental length scales and reproduce the trends in ablated area as a function of temperature. Our study provides a first step towards understanding the design parameters for graphene nano‐patterning.Mohammad AlaghemandiLeili SalehiPanagis SamolisBenyamin T. TrachtenbergAhmet TurnaliMichelle Y. SanderSahar SharifzadehWiley-VCHarticlegraphene deformationimage processinglaser ablationmachine learningreactive molecular dynamicsMaterials of engineering and construction. Mechanics of materialsTA401-492ENNano Select, Vol 2, Iss 11, Pp 2215-2224 (2021) |
| institution |
DOAJ |
| collection |
DOAJ |
| language |
EN |
| topic |
graphene deformation image processing laser ablation machine learning reactive molecular dynamics Materials of engineering and construction. Mechanics of materials TA401-492 |
| spellingShingle |
graphene deformation image processing laser ablation machine learning reactive molecular dynamics Materials of engineering and construction. Mechanics of materials TA401-492 Mohammad Alaghemandi Leili Salehi Panagis Samolis Benyamin T. Trachtenberg Ahmet Turnali Michelle Y. Sander Sahar Sharifzadeh Atomic understanding of structural deformations upon ablation of graphene |
| description |
Abstract We investigate the atomic rearrangement in graphene under femtosecond pulse illumination with reactive molecular dynamics simulations and compare with ultra‐fast laser ablation experiments. To model the impact of the laser pulse irradiation, heat is locally applied to a selected area of the graphene layer and the resulting structural deformation is simulated as a function of time, providing a detailed understanding of the bond breaking process under laser illumination and subsequent re‐equilibration after the pulse is turned off. Analysis of the atomic dynamics indicates that the types of defects formed depend on the pulse energy and exposure duration. By varying the exposed area, we determine that the shape of the ablated area is not only a function of the pulse energy, but also of the beam spot size and pulse repetition. Furthermore, we apply a machine learning approach to extrapolate our simulated data to experimental length scales and reproduce the trends in ablated area as a function of temperature. Our study provides a first step towards understanding the design parameters for graphene nano‐patterning. |
| format |
article |
| author |
Mohammad Alaghemandi Leili Salehi Panagis Samolis Benyamin T. Trachtenberg Ahmet Turnali Michelle Y. Sander Sahar Sharifzadeh |
| author_facet |
Mohammad Alaghemandi Leili Salehi Panagis Samolis Benyamin T. Trachtenberg Ahmet Turnali Michelle Y. Sander Sahar Sharifzadeh |
| author_sort |
Mohammad Alaghemandi |
| title |
Atomic understanding of structural deformations upon ablation of graphene |
| title_short |
Atomic understanding of structural deformations upon ablation of graphene |
| title_full |
Atomic understanding of structural deformations upon ablation of graphene |
| title_fullStr |
Atomic understanding of structural deformations upon ablation of graphene |
| title_full_unstemmed |
Atomic understanding of structural deformations upon ablation of graphene |
| title_sort |
atomic understanding of structural deformations upon ablation of graphene |
| publisher |
Wiley-VCH |
| publishDate |
2021 |
| url |
https://doaj.org/article/256805ea00be4390b97ddead1636ba41 |
| work_keys_str_mv |
AT mohammadalaghemandi atomicunderstandingofstructuraldeformationsuponablationofgraphene AT leilisalehi atomicunderstandingofstructuraldeformationsuponablationofgraphene AT panagissamolis atomicunderstandingofstructuraldeformationsuponablationofgraphene AT benyaminttrachtenberg atomicunderstandingofstructuraldeformationsuponablationofgraphene AT ahmetturnali atomicunderstandingofstructuraldeformationsuponablationofgraphene AT michelleysander atomicunderstandingofstructuraldeformationsuponablationofgraphene AT saharsharifzadeh atomicunderstandingofstructuraldeformationsuponablationofgraphene |
| _version_ |
1718439963098349568 |