Quantifying superlubricity of bilayer graphene from the mobility of interface dislocations Article Swipe
Md Tusher Ahmed
,
Moon‐ki Choi
,
Harley T. Johnson
,
Nikhil Chandra Admal
·
YOU?
·
· 2025
· Open Access
·
· DOI: https://doi.org/10.48550/arxiv.2501.05328
YOU?
·
· 2025
· Open Access
·
· DOI: https://doi.org/10.48550/arxiv.2501.05328
Van der Waals (vdW) heterostructures subjected to interlayer twists or heterostrains demonstrate structural superlubricity, leading to their potential use as superlubricants in micro- and nano-electro-mechanical devices. However, quantifying superlubricity across the vast four-dimensional heterodeformation space using experiments or atomic-scale simulations is a challenging task. In this work, we develop an atomically informed dynamic Frenkel--Kontorova (DFK) model for predicting the interface friction drag coefficient of an arbitrarily heterodeformed bilayer graphene (BG) system. The model is motivated by MD simulations of friction in heterodeformed BG. In particular, we note that interface dislocations formed during structural relaxation translate in unison when a heterodeformed BG is subjected to shear traction, leading us to the hypothesis that the kinetic properties of interface dislocations determine the friction drag coefficient of the interface. The constitutive law of the DFK model comprises the generalized stacking fault energy of the AB stacking, a scalar displacement drag coefficient, and the elastic properties of graphene, which are all obtained from atomistic simulations. Simulations of the DFK model confirm our hypothesis since a single choice of the displacement drag coefficient, fit to the kinetic property of an individual dislocation in an atomistic simulation, predicts interface friction in any heterodeformed BG. By bridging the gap between dislocation kinetics at the microscale to interface friction at the macroscale, the DFK model enables a high-throughput investigation of strain-engineered vdW heterostructures.
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- Type
- preprint
- Language
- en
- Landing Page
- http://arxiv.org/abs/2501.05328
- https://arxiv.org/pdf/2501.05328
- OA Status
- green
- Related Works
- 10
- OpenAlex ID
- https://openalex.org/W4406273156
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https://openalex.org/W4406273156Canonical identifier for this work in OpenAlex
- DOI
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https://doi.org/10.48550/arxiv.2501.05328Digital Object Identifier
- Title
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Quantifying superlubricity of bilayer graphene from the mobility of interface dislocationsWork title
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preprintOpenAlex work type
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enPrimary language
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2025Year of publication
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2025-01-09Full publication date if available
- Authors
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Md Tusher Ahmed, Moon‐ki Choi, Harley T. Johnson, Nikhil Chandra AdmalList of authors in order
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https://arxiv.org/abs/2501.05328Publisher landing page
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https://arxiv.org/pdf/2501.05328Direct link to full text PDF
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YesWhether a free full text is available
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greenOpen access status per OpenAlex
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https://arxiv.org/pdf/2501.05328Direct OA link when available
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Bilayer graphene, Interface (matter), Graphene, Bilayer, Materials science, Condensed matter physics, Nanotechnology, Chemistry, Physics, Membrane, Composite material, Wetting, Sessile drop technique, BiochemistryTop concepts (fields/topics) attached by OpenAlex
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0Total citation count in OpenAlex
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10Other works algorithmically related by OpenAlex
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| abstract_inverted_index.experiments | 36 |
| abstract_inverted_index.generalized | 135 |
| abstract_inverted_index.macroscale, | 213 |
| abstract_inverted_index.particular, | 84 |
| abstract_inverted_index.quantifying | 27 |
| abstract_inverted_index.simulation, | 190 |
| abstract_inverted_index.simulations | 39, 77 |
| abstract_inverted_index.atomic-scale | 38 |
| abstract_inverted_index.coefficient, | 147, 177 |
| abstract_inverted_index.constitutive | 127 |
| abstract_inverted_index.dislocations | 89, 117 |
| abstract_inverted_index.displacement | 145, 175 |
| abstract_inverted_index.simulations. | 160 |
| abstract_inverted_index.heterostrains | 10 |
| abstract_inverted_index.investigation | 220 |
| abstract_inverted_index.heterodeformed | 66, 81, 99, 196 |
| abstract_inverted_index.superlubricity | 28 |
| abstract_inverted_index.high-throughput | 219 |
| abstract_inverted_index.superlubricants | 20 |
| abstract_inverted_index.superlubricity, | 13 |
| abstract_inverted_index.four-dimensional | 32 |
| abstract_inverted_index.heterostructures | 4 |
| abstract_inverted_index.heterodeformation | 33 |
| abstract_inverted_index.heterostructures. | 224 |
| abstract_inverted_index.strain-engineered | 222 |
| abstract_inverted_index.Frenkel--Kontorova | 53 |
| abstract_inverted_index.nano-electro-mechanical | 24 |
| cited_by_percentile_year | |
| countries_distinct_count | 0 |
| institutions_distinct_count | 4 |
| citation_normalized_percentile |