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publications
Atomistic Simulation of Mixed Mode Fracture in Vitreous Silica
Published in ASME International Mechanical Engineering Congress and Exposition Proceedings, 2017
Lahkar, S., Ghosal, S., Singh, G. (2017). Atomistic simulation of mixed mode fracture in vitreous silica. Proceedings of the ASME International Mechanical Engineering Congress and Exposition (IMECE 2017), Vol. 58448, V009T12A042.
DOI: https://doi.org/10.1115/imece2017-71321
Strength nature of two-dimensional woven nanofabrics under biaxial tension
Published in International Journal of Damage Mechanics, 2019
Li, Y., Lahkar, S., Wei, Q., Qiao, P., Ye, H. (2019). Strength nature of two-dimensional woven nanofabrics under biaxial tension. International Journal of Damage Mechanics, 28(3), 367–379.
DOI: https://doi.org/10.1177/1056789518769343
Graphite interface mediated grain-boundary sliding leads to enhanced mechanical properties of nanocrystalline silicon carbide
Published in Materialia, 2019
Reddy, K. M., Guo, D., Lahkar, S., Cheng, C., Shinoda, Y., An, Q., Wang, X. (2019). Graphite interface mediated grain-boundary sliding leads to enhanced mechanical properties of nanocrystalline silicon carbide. Materialia, 7, 100394.
DOI: https://doi.org/10.1016/j.mtla.2019.100394
Multilayer Graphene-Based Thermal Rectifier with Interlayer Gradient Functionalization
Published in ACS Applied Materials & Interfaces, 2019
Wei, A., Lahkar, S., Li, X., Li, S., Ye, H. (2019). Multilayer graphene-based thermal rectifier with interlayer gradient functionalization. ACS Applied Materials & Interfaces, 11(48), 45180–45188.
DOI: https://doi.org/10.1021/acsami.9b11762
Characterization and understanding of the tilt-dependence of core-loss spectra for hexagonal boron nitride
Published in Scripta Materialia, 2021
Lahkar, S., Wang, X., Hemker, K., Reddy, K. M. (2021). Characterization and understanding of the tilt-dependence of core-loss spectra for hexagonal boron nitride. Scripta Materialia, 204, 114160.
DOI: https://doi.org/10.1016/j.scriptamat.2021.114160
Enhanced densification and mechanical properties of β-boron by in-situ formed boron-rich oxide
Published in Journal of Materials Science & Technology, 2022
Zhang, H., Örnek, M., Lahkar, S., Song, S., Wang, X., Haber, R. A., Reddy, K. M. (2022). Enhanced densification and mechanical properties of β-boron by in-situ formed boron-rich oxide. Journal of Materials Science & Technology, 99, 148–160.
DOI: https://doi.org/10.1016/j.jmst.2021.05.042
Shear band formation during nanoindentation of EuB6 rare-earth hexaboride
Published in Communications Materials, 2022
Karre, R., Shen, Y., Song, S., Hu, Y., Lahkar, S., Wang, X., An, Q., Reddy, K. M. (2022). Shear band formation during nanoindentation of EuB6 rare-earth hexaboride. Communications Materials, 3, 24.
DOI: https://doi.org/10.1038/s43246-022-00246-2
Intrinsic strengthening and toughening in hexagonal boron nitride by ripples
Published in Acta Materialia, 2022
Lahkar, S., Jeong, B., Wang, X., Hemker, K., Reddy, K. M. (2022). Intrinsic strengthening and toughening in hexagonal boron nitride by ripples. Acta Materialia, 229, 117845.
DOI: https://doi.org/10.1016/j.actamat.2022.117845
Atomistically calibrated Tsai-Wu criterion for orthotropic layered 2D materials and interpreting accuracy: A study on failure of hBN
Published in Mechanics of Materials, 2022
Lahkar, S., Reddy, K. M. (2022). Atomistically calibrated Tsai-Wu criterion for orthotropic layered 2D materials and interpreting accuracy: A study on failure of hBN. Mechanics of Materials, 170, 104345 (front-cover feature).
DOI: https://doi.org/10.1016/j.mechmat.2022.104345
Unraveling the dynamics of stacking fault nucleation in ceramics: A case study of aluminum nitride
Published in Computational Materials Science, 2024
Hu, Y., Zhang, Y., Lahkar, S., Wang, X., An, Q., Reddy, K. M. (2024). Unraveling the dynamics of stacking fault nucleation in ceramics: A case study of aluminum nitride. Computational Materials Science, 231, 112598.
DOI: https://doi.org/10.1016/j.commatsci.2023.112598
Competing mechanisms govern the thermal rectification behavior in semi-stochastic polycrystalline graphene with graded grain-size distribution
Published in Carbon, 2024
Lahkar, S., Ranganathan, R. (2024). Competing mechanisms govern the thermal rectification behavior in semi-stochastic polycrystalline graphene with graded grain-size distribution. Carbon, 218, 118638.
DOI: https://doi.org/10.1016/j.carbon.2023.118638
Decoupling electric field and temperature-driven atomistic forming mechanisms in TaOx/HfO2-based ReRAMs using reactive molecular dynamics simulations
Published in arXiv (preprint), 2025
Lahkar, S., Bragaglia, V., Bagheri, B., Falcone, D. F., Galetta, M., Sousa, M., Todri-Sanial, A. (2025). Decoupling electric field and temperature-driven atomistic forming mechanisms in TaOx/HfO2-based ReRAMs using reactive molecular dynamics simulations. arXiv:2505.24468 (preprint).
arXiv: https://arxiv.org/abs/2505.24468
research
Graded polycrystalline graphene as thermal diodes
Molecular-dynamics heat-transport and phonon simulations identify the competing mechanisms behind thermal rectification in graded polycrystalline graphene 
Anisotropic failure criteria
A calibrated anisotropic failure criterion for hBN, with stress-space measures of its accuracy 
Ripples that strengthen and toughen hBN
HRTEM observations and molecular-dynamics simulations of ripples in hexagonal boron nitride 
Electron energy-loss spectrum analysis
Tilt-series EELS of multilayer hBN compared with theory 
talks
Assessment of strength criteria for multiscale modeling of multilayer two dimensional materials
Published:
teaching
Deep Learning for Mechanical, Molecular and Materials Engineering with hands-on TensorFlow in Python
Graduate course, Indian Institute of Technology - Gandhinagar, Materials Engineering, 2023
I designed and taught this 10-day hands-on graduate course as the sole instructor, for 22 graduate students from different fields. It covered key topics in scientific machine learning, focusing on neural networks.