ASAshivni Shekhawat

Ashivni Shekhawat

*This is an algorithmically generated author record based on publicly available information.

Ashivni Shekhawat has a total of 5 co-authors. Here are the top co-authors by number of shared publications:


Latest Publications

  • A generalized Read–Shockley model and large scale simulations for the energy and structure of graphene grain boundaries

    by Ashivni Shekhawat, Colin Ophus, Robert O. Ritchie

    The grain boundary (GB) energy is a quantity of fundamental importance for understanding several key properties of graphene.


  • Open Access

    Toughness and strength of nanocrystalline graphene

    by Ashivni Shekhawat, Robert O. Ritchie

    Pristine monocrystalline graphene is claimed to be the strongest material known with remarkable mechanical and electrical properties. However, graphene made with scalable fabrication techniques is polycrystalline and contains inherent nanoscale line and point defects—grain boundaries and grain-boundary triple junctions—that lead to significant statistical fluctuations in toughness and strength. These fluctuations become particularly pronounced for nanocrystalline graphene where the density of defects is high. Here we use large-scale simulation and continuum modelling to show that the statistical variation in toughness and strength can be understood with ‘weakest-link’ statistics. We develop the first statistical theory of toughness in polycrystalline graphene, and elucidate the nanoscale origins of the grain-size dependence of its strength and toughness. Our results should lead to more reliable graphene device design, and provide a framework to interpret experimental results in a broad class of two-dimensional materials.


  • Open Access

    Large-scale experimental and theoretical study of graphene grain boundary structures

    by Colin Ophus, Ashivni Shekhawat, Haider Rasool, Alex Zettl

    We have characterized the structure of 176 different single-layer graphene grain boundaries grown with chemical vapor deposition using >1000 experimental high-resolution transmission electron microscopy images using a semiautomated structure processing routine. We introduce an algorithm for generating grain boundary structures for a class of hexagonal two-dimensional materials and use this algorithm and molecular dynamics to simulate the structure of >79000 linear graphene grain boundaries covering 4122 unique orientations distributed over the entire parameter space. The dislocation content and structural properties are extracted from all experimental and simulated boundaries, and various trends are explored. We find excellent agreement between the simulated and experimentally observed grain boundaries. Our analysis demonstrates the power of a statistically significant number of measurements as opposed to a small number of observations in atomic science.