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Postdoc

Karsu Ipek Kilic

Research Interests

Despite their extraordinary properties and wide range of use in energy and device technologies, hybrid organosilicate glasses are inherently very fragile limiting their reliable integration to these technologies. It is therefore crucial to develop new design strategies to generate mechanically more reliable organosilicate hybrid glasses. My research focuses on the molecular modeling of organosilicate hybrid glass materials to explore the fundamental structure-property relationships in these materials. Using molecular dynamics simulations, we can generate highly accurate model glasses with desired organosilane precursors, network connectivitiy and porosity level and predict their fracture, elastic and thermal properties. We use a simulated annealing approach to generate these glasses, and mainly work with Stillinger-Weber and Reactive Force Field Potentials.

structure-property-hybrids2

Design of Ultrastiff Ogranosilicate Hybrid Glasses

We have modeled several hybrid glass network architectures with different organosilane precursor geometries and mean network connectivities and discovered that these two fundamental structural characteristics dominantly govern the elastic properties of these materials. Our results indicate that unlike more traditional examples of organosilicate glass materials such as the Et-OCS glass with a mean network connectivity (mSi) of 4 that has low density, dielectric coefficient and elastic stiffness, glass networks derived from hyperconnected and  planar organosilane precursors such as 1,3,5-benzene result in up to 3 times higher stiffness values while still maintaining low density and low dielectric coefficient. Remarkably, these ultrastiff low density hybrid glasses are even stiffer than fully dense silica.

Non-affine Deformations in Organosilicate Hybrid Glasses

The effects of precursor geometry and network connectivity on the resulting elastic properties can be further examined by the geometrical and topological constraints they impose on the hybrid glass structure. We calculate the amount of non-affine deformations in these materials, which have not been previously explored for, to quantify the effects of these constraints which are correlated with bulk elastic properties. Non-affine deformations represent the local deviations in the deformation field of a network from the macrosopic deformation applied, and the increase in these deviations indicate a decrease in the network constraints leading to a decrease in elastic stiffness. 

Elastic Properties of Organosilicate Hybrid Glasses Under Extreme Low Temperatures 

Due to their unique optoelectronic properties, hybrid glasses are one of the most important materials for use in emerging quantum technologies which operate at cryogenic temperatures, where they are used as optical cavities, waveguides, and device-to-device bond layers. Currently we are working to expand our computational platform to predict the elastic properties of hybrid glasses under temperature values down to 1K to elucidate the mechanical reliability of these materials under extreme low temperature operations. We perform Reactive Force Field simulations to accurately capture the temperature dependence of their elastic properties.

Prediction of 3D Fracture Paths in Organosilicate Hybrid Glasses

We are working to predict the fracture height and fracture path selection of various model glasses to explore the impacts of hyperconnectivity and precursor geometry, as well as the external conditions such as temperature and moisture level, on the fracture resistance of these materials. By implementing a Min-Cut Cohesive Fracture Model that was developed by our group based on a novel graph theory approach, we can predict the 3-dimensional cohesive fracture paths in organosilicate hybrid glasses highly accurately.

Publications

  • Can Wang, Karsu I. Kilic, Hilmar Koerner, Jeffery W Baur, Vikas Varshney, Krystelle Lionti, Reinhold H Dauskardt, "Polyimide Hybrid Nanocomposites with Controlled Polymer Filling and Polymer–Matrix Interaction", ACS Applied Materials & Interfaces, 2022.
  • Lies De Keer, Karsu I. Kilic, Paul H. M. Van Steenberge, Lode Daelemans, Daniel Kodura, Hendrik Frisch, Karen De Clerck, Marie-Françoise Reyniers, Christopher Barner-Kowollik, Reinhold H. Dauskardt & Dagmar R. D’hooge, “Computational prediction of the molecular configuration of three-dimensional network polymers”, Nature Materials, 2021.
  • Karsu  I. Kilic and Reinhold H. Dauskardt, "Mechanically reliable hybrid organosilicate glasses for advanced interconnects", Journal of Vacuum Science & Technology B, Nanotechnology and Microelectronics: Materials, Processing, Measurement, and Phenomena, 2020.
  • Karsu I. Kilic and Reinhold H. Dauskardt, “Design of Ultrastiff Organosilicate Hybrid Glasses,” Advanced Functional Materials, 2019.
  • Karsu I. Kilic and Reinhold H. Dauskardt, “Nonaffine Deformations in ULK Dielectric Glasses,” Proceedings of the IEEE IITC, 2018.
  • Kilic, K.I., Temizer I., "Tuning Macroscopic Sliding Friction at Soft Contact Interfaces: Interaction of Bulk and Surface Heterogeneities", Tribology International, v.104 p.83-97, 2016.

Conference Presentations

  • Karsu  I. Kilic and Reinhold H. Dauskardt, "Computational Analysis of the Role of Nanoscale Confinement on the Mechanical Reliability of Low-k Dielectric Hybrids for Next Generation Interconnects”, TECHCON, Austin, TX, 2022
  • Karsu I. Kilic and Reinhold H. Dauskardt, “Computational Analysis of the Role of Nanoconfinement on the Reliability of ULK Glasses,” IEEE International Interconnect Technology Conference, San Jose, CA, 2022.
  • Karsu  I. Kilic and Reinhold H. Dauskardt, "Computational Analysis of the Mechanical Reliability of Low-k Dielectric Hybrid Glasses Under Nanoscale Confinement For Next Generation Interconnects”, MRS Spring Meeting, Invited Poster Presentation, Honolulu, HI, 2022.
  • Karsu  I. Kilic and Reinhold H. Dauskardt, "Design of Mechanically Reliable and Fracture Resistant Low-k Dielectric Materials for Next Generation Logic and Memory Technologies”, TECHCON, Virtual Edition, 2021.
  • Karsu  I. Kilic and Reinhold H. Dauskardt, " Design of Mechanically Reliable and Fracture Resistant Low-K Dielectric Hybrid Glasses for Next Generation Interconnects", Virtual MRS Spring Meeting, 2021.
  • Karsu  I. Kilic and Reinhold H. Dauskardt, "Design of Mechanically Reliable ULK  Glasses", IEEE International Interconnect Technology Conference, Virtual Edition, 2020.
  • Karsu I. Kilic and Reinhold H. Dauskardt, "Ultrastiff Low-K Dielectric Hybrid Glasses for the Reliable Design of Advanced Interconnects", IRSP (Poster Presentation), San Jose, CA, 2019.
  • Karsu I. Kilic and Reinhold H. Dauskardt, “Ultrastiff ULK Dielectric Hybrid Glasses: Exploiting Hyperconnectivity and Precursor Geometry,” MRS Spring Meeting, Phoenix, AR, 2019.
  • Karsu I. Kilic and Reinhold H. Dauskardt, “Nonaffine Deformations in ULK Dielectric Glasses,” IEEE International Interconnect Technology Conference / Advanced Metallization Conference, Santa Clara, CA, 2018.

Education

Ph.D. Stanford University, Mechanical Engineering, 2022
B.S. Bilkent University, Mechanical Engineering, 2016

Contact

Location

Durand Building, Rm. 111