Publications


Peer-Reviewed Articles

33.  Flavio Di Dio, B.;  Khabaz, F.; Bonnecaze, R.T.; Cloitre, M.; “Transient dynamics of soft particle glasses in startup shear flow. Part II: Memory and aging”, Journal of Rheology 66, 717-730, 2022

32. Perego, A.; Mani, S.; Khabaz, F.; “Rheology of Styrene-Butadiene Rubber: Bridging the Gap; between Timescales of Atomistically-Detailed Molecular Simulations and Experiments”, ACS Appl. Polym. Mater., 2022.

31.  Liu, T.; Khabaz, F.; Cloitre M.; Bonnecaze R.T.; “High frequency viscoelasticity of soft particle glasses”, J. Rheol., 66, 293, 2022.

30. Mane, S.; Khabaz, F.; Bonnecaze, R.T.; Liechti, K.M.; Huang, R.; “A numerical study on elastic properties of low-density two-dimensional networks of crosslinked long fibers”; International Journal of Solids and Structures, 230–231, 2021

29. Shen,N.; Liu, S.; Kasbe, P.; Khabaz, F.; Kennedy, J.P.; Xu, W.; “ Macromolecular Engineering and Additive Manufacturing of Poly(styrene-b-isobutylene-b-styrene)”; ACS Applied Polymer Materials 2021 3 (9), 4554-4562

28.  Perego, A.; Khabaz, F.; “Effect of bond exchange rate on dynamics and mechanics of vitrimers”, J. Poly. Sci., 59, 2590, 2021.

27. Balogun, A., Lazarenko, D., Khabaz, F., Khare, R.; “Extending the timescale of molecular simulations by using time–temperature superposition: rheology of ionic liquids” (Soft Matter 2021, 2021,17, 7210-7220).

26.  Lazarenko, D., Khabaz, F., “Thermodynamics and Rheology of Imidazolium-Based Ionic Liquid–Oil Mixtures: A Molecular Simulation Study” (J. Phys. Chem. B 2021).

25.  Khabaz, F.; Di Dio, B. F. ; Cloitre, M.; Bonnecaze, R. T.; “Transient dynamics of soft particle glasses in startup shear flow. Part I: Microstructure and time scales” (J. Rheol, 2021, 65, 241).

24.  Khabaz, F.; Bonnecaze, R. T.; “Thermodynamics of shear-induced phase transition of polydisperse soft particle glasses” (Phys. Fluids, 2021, 33, 013315).

23.  Perego, A.; Khabaz, F.; “Volumetric and Rheological Properties of Vitrimers: A Hybrid Molecular Dynamics and Monte Carlo Simulation Study” (Macromolecules 2020, 53, 8406-8416).

22.  Perego, A.; Khabaz, F.; “Thermodynamics, Dynamics, and Rheology of Fuel Surrogates: Application of the Time-Temperature Superposition Principle in Molecular Dynamics Simulations” (Energy Fuels, 2020, 34 10631-10640).

21.  Das, S.; Khabaz, F.; Katiyar, A.; Rohilla, N.; Nguyen, Q. and Bonnecaze, R. T.; “Experimental and Computational Studies on Adsorption of Non-ionic Surfactants on Carbonates” (J. Phys. Chem. B 2020, 124, 37, 8158–8166).

20.  Bonnecaze, R. T.; Khabaz, F.; Mohan, L.; Cloitre, M.; “Excess Entropy Scaling for Soft Particle Glasses”, J. Rheol. 64, 423, 2020.

19.  Khabaz, F.; Cloitre, M. and Bonnecaze, R. T.; “Particle Dynamics Predicts Shear Rheology of Soft Particle Glasses”, J. Rheol. 64, 459, 2020.

18.  Howard M. P.; Jadrich R. B.; Lindquist, B. A.; Khabaz, F., Bonnecaze, R. T.; Milliron, D. J. and Truskett, M.; “Structure and phase behavior of polymer-linked colloidal gels”, J. Chem. Phys. 151 (12), 124901, 2019.

17.  Jiang ,T.; Khabaz, F.; Marne, A;, Wu, C.; Gearba, R.; Bodepudi, R., Bonnecaze, R. T., Liechti, K. M. and Korgel, B. A.; “Mechanical properties of a-Si:H particles”, (Accepted – J. Appl. Phys., 2019).

16.  Kadulkar, S.; Banerjee, D.; Khabaz, F.; Ganesan, V.; Truskett, T. and Bonnecaze, R. T.; “Influence of morphology of colloidal nanoparticle gels on ion transport and rheology”, J. Chem. Phys. 150 (21), 214903, 2019.

15.  Fallah, F.; Khabaz, F.; Kim Y-R, Kommidi; S. R. and Haghshenas, H.; “Molecular Dynamics Modeling and Simulation of Asphalt Binder Chemical Aging Due to Variation of Oxidation Level and Saturate-Aromatic-Resin-Asphaltene Fraction”, Fuel, 237, 71-80, 2018.

14.  Liu, T.; Khabaz, F.; Cloitre, M. and Bonnecaze, R. T.; “The Universality of the Flow Curve for Soft-Particle Glasses”, Soft Matter, 14, 7064-7074 (2018).

13.  Khabaz, F. and Khare, R.; “Molecular Simulations of Asphalt Rheology: Application of Time-Temperature-Superposition Principle”, J. Rheol., 62, 941, 2018.

12.  Khabaz, F.; Cloitre, M. and Bonnecaze, R. T.; “Structural State Diagram of Concentrated Suspensions of Jammed Soft Particles in Oscillatory Shear Flow”, Phys. Rev. Fluids, 3, 033301, 2018.

11.  Khabaz, F.; Zhang, Y.; Xue, L.; Quitevis E. J.; Maginn E. J.; and Khare, R.; “Temperature Dependence of Volumetric and Dynamic Properties of Imidazolium-Based Ionic Liquids”, J. Phys. Chem. B, 122 (8), 2414-2424, 2018.

10.  Khabaz, F.; Liu, T.; Cloitre, M. and Bonnecaze, R. T.; “Shear-Induced Crystallization in Jammed Soft Particle Glasses”, Phys. Rev. Fluids, 2, 93301, 2017.

9.  Godbole, R.; Khabaz, F.; Khare, R.; and Hedden, R., “Extension of Flory-Rehner Theory to Multi Component Polymer Network Solvent Systems”, J. Phys. Chem. B, 121 (33), 7963-7977, 2017.

8.  Habib, T.; Sundaravadivelu Devarajan, D.; Khabaz, F.; Parviz, D.; Achee, T.; Khare, R. and Green, M. J., “Co-solvents as Liquid Surfactants for Boron Nitride Nanosheet (BNNS) Dispersions”, Langmuir, 32 (44), 11591-11599, 2016.

7.  Khabaz, F.; Mani, S. and Khare, R., “Molecular Origins of Dynamic Coupling between Water and Hydrated Polyacrylate Gels”, Macromolecules, 49 (19), 7551-7562, 2016.

6.  Mani, S.; Khabaz, F.; Godbole, R. V.; Hedden, R. C. and Khare, R., “Structure and Hydrogen Bonding of Water in Polyacrylate Gels: Effects of Polymer Hydrophilicity and Water Concentration”, J. Phys. Chem. B, 119 (49), 15381-15393, 2015.

5.  Zhang, Y.; Xue, L.; Khabaz, F.; Doerfler, R; Khare, R; Quitevis, E. L. and Maginn, E. J., “Molecular Topology and Local Dynamics Govern the Viscosity of Imidazolium-Based Ionic Liquids”, J. Phys. Chem. B, 119 (47), 14934-14944, 2015.

4.  Khabaz, F. and Khare, R., “Glass Transition and Molecular Mobility in Styrene-Butadiene Rubber Modified Asphalt”, J. Phys. Chem. B, 119 (44), 14261-14269, 2015.

3.  Bari, R.; Parviz, D; Khabaz, F.; Klaassen, C. D.; Metzler, S. D; Hansen, M. J.; Khare, R. and Green, M. J., “Liquid Phase Exfoliation and Crumpling of Inorganic Nanosheets”, Phys. Chem. Chem. Phys., 17 (14), 938, 2015.

2.  Khabaz, F. and Khare, R., “Effect of Chain Architecture on the Size, Shape, and Intrinsic Viscosity of Chains in Polymer Solutions: A Molecular Simulation Study”, J. Chem. Phys., 141 (21), 21409, 2014.

1.  Khare, K. S.; Khabaz, F. and Khare, R., “Effect of Carbon Nanotube Functionalization on Mechanical and Thermal Properties of Cross-linked Epoxy-Carbon Nanotube Nanocomposites: Role of Strengthening the Interfacial Interactions”, ACS Appl. Mater. Inter


Conference Proceeding

1. Khabaz, F.; Khare, K. S. and Khare, R., “Temperature Dependence of Creep Compliance of Highly Cross-linked Epoxy: A Molecular Simulation Study”, TIMES OF POLYMERS (TOP) AND COMPOSITES 2014, Book Series: AIP Conference Proceedings, 1599, 262-265, 2014.


Book Chapter

1. Khabaz, F.; Islam, R. and Khare, R; “Thermal Conductivity of Polymer Nanocomposites: Applications of Molecular Dynamics Simulations”, Thermal Behavior and Applications of Carbon-based Nanomaterials, Elsevier Publications, 2020.