Nanoindentation Models With Realistic AFM Tip Geometries

2015 ◽  
Author(s):  
Rapeepan Promyoo ◽  
Hazim El-Mounayri ◽  
Kody Varahramyan
Keyword(s):  
Molecular Dynamics ◽  
Atomic Force Microscopy ◽  
Md Simulation ◽  
Three Dimensional ◽  
Md Simulations ◽  
Gold Substrate ◽  
Force Microscopy ◽  
Atomic Force ◽  
Defect Mechanism ◽  
Tip Radius

In this paper, a three-dimensional computational model for Atomic Force Microscopy (AFM) based nanoindentation processes is being developed. Molecular Dynamics (MD) and Finite Element (FE) techniques are used to model and simulate mechanical indentation at the nanoscale. The correlation between the indentation conditions, including applied force and tip radius, and defect mechanism in substrate is investigated. The tip geometries used in the model are the same as those used in the experiments. The MD simulations of nanoindentation process are performed on different crystal orientations of single-crystal gold substrate, Au(100), Au(110), and Au(111). In MD simulation, the material deformation is extracted from the final locations of atoms, which are displaced by the rigid indenter. The simulation also allows for the prediction of forces at the interface between the indenter and substrate. In addition to the modeling, an AFM is used to conduct actual indentation at the nanoscale, and provide measurements to which the simulation predictions are compared.

AFM-Based Nanoscratching: A 3D Molecular Dynamics Simulation With Experimental Verification

2014 ◽  
Author(s):  
Rapeepan Promyoo ◽  
Hazim El-Mounayri ◽  
Kody Varahramyan
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Md Simulation ◽  
Three Dimensional ◽  
Dynamics Simulation ◽  
Dimensional Model ◽  
Gold Substrate ◽  
Three Dimensional Model ◽  
Friction Forces ◽  
Defect Mechanism

In this paper, a developed three-dimensional model for AFM-based nanomachining is applied to study mechanical scratching at the nanoscale. The correlation between the scratching conditions, including applied force, scratching depth, and distant between any two scratched grooves, and the defect mechanism in the substrate/workpiece is investigated. The simulations of nanoscratching process are performed on different crystal orientations of single-crystal gold substrate, Au(100), Au(110), and Au(111). The material deformation and groove geometry are extracted from the final locations of atoms, which are displaced by the rigid indenter. The simulation also allows for the prediction of normal and friction forces at the interface between the indenter and substrate. An AFM is used to conduct actual scratching at the nanoscale, and provide measurements to which the MD simulation predictions are compared. The predicted forces obtained from MD simulation compares qualitatively with the experimental results.

Adhesive Energy of Zinc Oxide and Graphite, Molecular Dynamics and Atomic Force Microscopy Study

2012 ◽  
Vol 1479 ◽  
pp. 89-94
Author(s):  
Ulises Galan ◽  
Henry A. Sodano
Keyword(s):  
Molecular Dynamics ◽  
Atomic Force Microscopy ◽  
Zinc Oxide ◽  
Single Layer ◽  
Md Simulations ◽  
Microscopy Study ◽  
Graphitic Carbon ◽  
Force Microscopy ◽  
Atomic Force ◽  
Lift Off

AbstractMolecular Dynamics (MD) simulations are performed to calculate the interfacial energy between zinc oxide (ZnO) and graphitic carbon for the study of solid–solid adhesion. The MD model consists of a ZnO slab and a single layer of graphitic carbon. The calculation was validated experimentally by atomic force microscopy (AFM) liftoff. A polishing process was applied to create a tip with a flat surface that was subsequently coated with a ZnO film allowing force displacement measurement on Highly Oriented Pyrolitic Graphite to validate the simulations. The MD simulation and AFM lift-off show good agreement with adhesive energies of 0.303 J/m2 and 0.261 ± 0.054 J/m2, respectively.

scholarly journals Acoustic subsurface-atomic force microscopy: Three-dimensional imaging at the nanoscale

2021 ◽  
Vol 129 (3) ◽  
pp. 030901
Author(s):  
Hossein J. Sharahi ◽  
Mohsen Janmaleki ◽  
Laurene Tetard ◽  
Seonghwan Kim ◽  
Hamed Sadeghian ◽  
...  
Keyword(s):  
Atomic Force Microscopy ◽  
Three Dimensional ◽  
Three Dimensional Imaging ◽  
Force Microscopy ◽  
Atomic Force

Molecular Dynamics Simulation of AFM-Based Nanomachining Processes

2011 ◽  
Author(s):  
Rapeepan Promyoo ◽  
Hazim El-Mounayri ◽  
Kody Varahramyan ◽  
Ashlie Martini
Keyword(s):  
Molecular Dynamics ◽  
Friction Coefficient ◽  
Md Simulation ◽  
Computational Models ◽  
Dynamics Simulation ◽  
Radius Of Curvature ◽  
Force Microscopy ◽  
Indentation Force ◽  
Atomic Force ◽  
Development And Validation

Recently, atomic force microscopy (AFM) has been widely used for nanomachining and fabrication of micro/ nanodevices. This paper describes the development and validation of computational models for AFM-based nanomachining (nanoindentation and nanoscratching). The Molecular Dynamics (MD) technique is used to model and simulate mechanical indentation and scratching at the nanoscale in the case of gold and silicon. The simulation allows for the prediction of indentation forces and the friction force at the interface between an indenter and a substrate. The effects of tip curvature and speed on indentation force and friction coefficient are investigated. The material deformation and indentation geometry are extracted based on the final locations of atoms, which are displaced by the rigid tool. In addition to modeling, an AFM was used to conduct actual indentation at the nanoscale, and provide measurements to validate the predictions from the MD simulation. The AFM provides resolution on nanometer (lateral) and angstrom (vertical) scales. A three-sided pyramid indenter (with a radius of curvature ∼ 50 nm) is raster scanned on top of the surface and in contact with it. It can be observed from the MD simulation results that the indentation force increases as the depth of indentation increases, but decreases as the scratching speed increases. On the other hand, the friction coefficient is found to be independent of scratching speed.

scholarly journals Modeling of DNA binding to the condensin hinge domain using molecular dynamics simulations guided by atomic force microscopy

2021 ◽  
Author(s):  
Hiroki Koide ◽  
Noriyuki Kodera ◽  
Shveta Bisht ◽  
Shoji Takada ◽  
Tsuyoshi Terakawa
Keyword(s):  
Molecular Dynamics ◽  
Atomic Force Microscopy ◽  
Molecular Dynamics Simulations ◽  
Coarse Grained ◽  
Force Microscopy ◽  
Atomic Force ◽  
Dna Loop ◽  
Dynamics Simulations ◽  
Dsdna Binding ◽  
Hinge Domain

The condensin protein complex compacts chromatin during mitosis using its DNA-loop extrusion activity. Previous studies proposed scrunching and loop-capture models as molecular mechanisms for the loop extrusion process, both of which assume the binding of double-strand (ds) DNA to the so-called hinge domain formed at the interface of the condensin subunits Smc2 and Smc4. However, how the hinge domain contacts dsDNA has remained unknown, potentially due to its conformational plasticity. Here, we conducted atomic force microscopy imaging of the budding yeast condensin holo-complex and used this data as basis for coarse-grained molecular dynamics simulations to model the hinge structure in a transient open conformation. We then simulated the dsDNA binding to open and closed hinge conformations, predicting that dsDNA binds to the outside surface when closed and to the outside and inside surfaces when open. Our simulations also suggested that the hinge can close around dsDNA bound to the inside surface. The conformational change of the hinge domain might be essential for the dsDNA binding regulation and play important roles in condensin-mediated DNA-loop extrusion.

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