Molecular dynamics simulation of bimodal atomic force microscopy

Dou, Zhipeng; Qian, Jianqiang; Li, Yingzi; Wang, Zhenyu; Zhang, Yingxu; Rui-chao, Lin; Wang, Tingwei

doi:10.1016/j.ultramic.2020.112971

Cited by 6 publications

(5 citation statements)

References 34 publications

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“…The dynamic process (AM mode) and quasi-static process (the relative position of tip–sample remains unchanged in the simulation) are separately carried out. The simulation protocol for computing tip–sample interactions is similar to our previous work [ 54 ]. In the simulations, the tip consists of silicon atoms and it changes among different shapes, including cone, hemisphere, and single silicon atom.…”

Section: Methodsmentioning

confidence: 99%

Reducing molecular simulation time for AFM images based on super-resolution methods

Dou

Qian

et al. 2021

Beilstein J. Nanotechnol.

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Atomic force microscopy (AFM) has been an important tool for nanoscale imaging and characterization with atomic and subatomic resolution. Theoretical investigations are getting highly important for the interpretation of AFM images. Researchers have used molecular simulation to examine the AFM imaging mechanism. With a recent flurry of researches applying machine learning to AFM, AFM images obtained from molecular simulation have also been used as training data. However, the simulation is incredibly time consuming. In this paper, we apply super-resolution methods, including compressed sensing and deep learning methods, to reconstruct simulated images and to reduce simulation time. Several molecular simulation energy maps under different conditions are presented to demonstrate the performance of reconstruction algorithms. Through the analysis of reconstructed results, we find that both presented algorithms could complete the reconstruction with good quality and greatly reduce simulation time. Moreover, the super-resolution methods can be used to speed up the generation of training data and vary simulation resolution for AFM machine learning.

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Section: Methodsmentioning

confidence: 99%

Reducing molecular simulation time for AFM images based on super-resolution methods

Dou

Qian

et al. 2021

Beilstein J. Nanotechnol.

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“…In certain molecular dynamics simulations, two virtual atoms represent the cantilever base and the second mode part. 45 In these simulations, the cantilever virtual atom is connected to the second virtual atom via a harmonic spring, and the third virtual atom is connected to the tip apex via another spring. Consequently, the bimodal AFM tip is formed, and two resonance frequencies associated with the system can be modified by adjusting the atomic mass and spring stiffness.…”

Section: Amplitude Analysismentioning

confidence: 99%

“…They demonstrated that as the graphene size increases slightly beyond 24 nm, the puckering effect decreases as the number of layers increases. Dou et al 45 proposed an atomic model for molecular dynamics simulation-based dynamic analysis of a bimodal AFM. In contrast to other models, the cantilever was modeled using double springs and different virtual atoms.…”

Section: Introductionmentioning

confidence: 99%

Multi-scale modeling of an atomic force microscope tip for the study of frictional properties and oscillation behavior

Kouroshian

Parvaneh

Abbasi

2022

Proceedings of the Institution of Mechanical Engineers, Part C:

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In this paper, the vibrational behavior of the atomic force microscope (AFM) on a graphene sheet sample was analyzed using a multi-scale model. The cantilever and silicone tip base were simulated using continuum mechanics and finite element modeling, while the tip apex was modeled using Tersoff potential and structural mechanics modeling. The modified Morse potential was used to model the single-layer graphene, and the Lennard-jones potential was employed as nonlinear springs to model the interactions between the graphene layers and the tip-sample. In addition, the contact behavior between the tip and graphene was investigated by measuring the friction force during the movement of the tip on the graphene sheet, and the results were compared to those obtained from a molecular dynamics simulation and an experimental test. The friction force between the tip and graphene increased by enhancing the tip radius and the contact surface between the tip and the sample. With the initial distance displacement of the tip from the sample, two curves of the tip oscillation amplitude variations and the tip oscillation and excitation vibration phase shift were plotted. In conclusion, the results of the present multi-scale model are compared with those of the MD simulation and demonstrate the strong correlation between the proposed model and the MD model.

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“…A variety of theories and simulations have supported or demonstrated the capabilities of bimodal AFM. − Currently, it is the only method that provides nanomechanical maps at 5 frames per second (high speed) . Despite its widespread use, the accuracy of the bimodal nanomechanical measurements performed on ultrathin materials might be jeopardized by the bottom-effect artifact. , …”

Section: Introductionmentioning

confidence: 99%

Accurate Wide-Modulus-Range Nanomechanical Mapping of Ultrathin Interfaces with Bimodal Atomic Force Microscopy

Gisbert

García

2021

ACS Nano

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The nanoscale determination of the mechanical properties of interfaces is of paramount relevance in materials science and cell biology. Bimodal atomic force microscopy (AFM) is arguably the most advanced nanoscale method for mapping the elastic modulus of interfaces. Simulations, theory, and experiments have validated bimodal AFM measurements on thick samples (from micrometer to millimeter). However, the bottom-effect artifact, this is, the influence of the rigid support on the determination of the Young’s modulus, questions its accuracy for ultrathin materials and interfaces (1–15 nm). Here we develop a bottom-effect correction method that yields the intrinsic Young’s modulus value of a material independent of its thickness. Experiments and numerical simulations validate the accuracy of the method for a wide range of materials (1 MPa to 100 GPa). Otherwise, the Young’s modulus of an ultrathin material might be overestimated by a 10-fold factor.

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Molecular dynamics simulation of bimodal atomic force microscopy

Cited by 6 publications

References 34 publications

Reducing molecular simulation time for AFM images based on super-resolution methods

Reducing molecular simulation time for AFM images based on super-resolution methods

Multi-scale modeling of an atomic force microscope tip for the study of frictional properties and oscillation behavior

Accurate Wide-Modulus-Range Nanomechanical Mapping of Ultrathin Interfaces with Bimodal Atomic Force Microscopy

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