Vision‐Augmented Molecular Dynamics Simulation of Nanoindentation

Abstract

We present a user-friendly vision-augmented technique to carry out atomic simulation using hand gestures. The system is novel in its concept as it enables the user to directly manipulate the atomic structures on the screen, in 3D space using hand gestures, allowing the exploration and visualisation of molecular interactions at different relative conformations. The hand gestures are used to pick and place atoms on the screen allowing thereby the ease of carrying out molecular dynamics simulation in a more efficient way. The end result is that users with limited expertise in developing molecular structures can now do so easily and intuitively by the use of body gestures to interact with the simulator to study the system in question. The proposed system was tested by simulating the crystal anisotropy of crystalline silicon during nanoindentation. A long-range (Screened bond order) Tersoff potential energy function was used during the simulation which revealed the value of hardness and elastic modulus being similar to what has been found previously from the experiments. We anticipate that our proposed system will open up new horizons to the current methods on how an MD simulation is designed and executed.

Influence of temperature on the anisotropic cutting behaviour of single crystal silicon: A molecular dynamics simulation investigation

“…leading to the variation of the force acting on the tool along the length of cut. Also, experiments [29] and simulations [30] have shown that silicon is an intrinsically-anisotropic material even during cutting at room temperature. Hence, calculation of machining force was necessary and to do this, the total force exerted by the carbon atoms of the cutting tool on the silicon workpiece was calculated.…”

Systematic literature review of hand gestures used in human computer interaction interfaces

“…Interaction with augmented reality included a variety of technologies that enable superimposed 3D representation of content and interaction with it.  Manipulating objects in VR/3D (Zimmerman et al, 1987, O'Hagan et al, 2002, New et al, 2003, Deller et al, 2006, Moustakas et al, 2009, Wright et al, 2011, Djukic et al, 2013, Jacob and Wachs, 2014, Kim and Park, 2014, Al-Sayegh and Makatsoris, 2015, Covarrubias et al, 2015, Lopes et al, 2017, NICOLA et al, 2017, Park and Lee, 2018, Togootogtokh et al, 2018, Vosinakis and Koutsabasis, 2018. These were systems that primarily focus on manipulation of objects in either 3D or VR specifically, rather than unique AR solutions, or applications specifically aimed at CAD.…”

Atomistic Insights into the Phase Transformation of Single-Crystal Silicon during Nanoindentation

“…The subscripts s and i indicate the substrate and indenter, respectively. The elastic modulus and Poisson's ratio for the substrate and indenter are E s = 130 GPa, E i = 1056.48 GPa, ν s = 0.3459, and ν i = 0.103, respectively [30,31].…”