Statistical Materials' Modeling

Peer-Reviewed Articles

2024

2023

1. Reversible-to-irreversible transition of colloidal polycrystals under cyclic athermal quasistatic deformation, Khushika, Laurson, Lasse, Jana, P.K.* Physical Review E (APS) 2023, 108, 064612 DOI: 

2. Relaxation dynamics in amorphous alloys under asymmetric cyclic shear deformation, Jana, P.K., Priezjev, Nikolai V., Journal of Non-Crystalline Solids (Elsevier) 2023, 600, 121996 DOI: https://doi.org/10.1016/j.jnoncrysol.2022.121996

2022

3. Wall-spring thermostat: A novel approach in controlling the dynamics of soft coarse-grained polymer fluids at surfaces, Jana, P.K., Petra Bacova, Ludwig Schneider, Kai-Uwe Hollborn, Patrycja Polinska, Craig Burkhart, Vagelis A. Harmandaris, and Marcus Mueller, Macromolecules (ACS) 2022, 55, 5550 DOI: https://doi.org/10.1021/acs.macromol.2c00597

2021

4. Segmental to chain dynamics of long entangled polyisoprene melts via multiscale modelling, Wei Li†, Jana, P. K. †, Alireza F. Behbahani, Georgios Kritikos, Ludwig Schneider, Patrycja Polinska, Craig Burkhart, Vagelis A. Harmandaris, Marcus Mueller, and Manolis Doxastakis;  Macromolecules (ACS) 2021, 54, 8693 DOI: https://doi.org/10.1021/acs.macromol.1c01376

5. Impurity-induced Nematic-Isotropic Transition of Liquid Crystals, Jana, P. K.*, Lam J., Mangal, R., Alava, M. J., Parveen, N*., and Laurson, L.*, Physical Chemistry Chemical Physics (RSC) 2021, 23, 8825-8835 DOI: https://doi.org/10.1039/D0CP06577C

6. Dynamics and Rheology of Polymer Melts via Hierarchical Atomistic, Coarse-grained, and Slip-spring Simulations, Alireza F. Behbahani, Ludwig Schneider, Anastassia Rissanou, Antonis Chazirakis, Petra Bacova, Jana, P. K., Wei Li, Manolis Doxastakis, Patrycja Polinska, Craig Burkhart, Marcus Müller, and Vagelis A. Harmandaris; Macromolecules (ACS) 2021, 54, 2740-2762 DOI: https://doi.org/10.1021/acs.macromol.0c02583

2020 and before

7. Competing DNA interactions regulate surface triggered self-assembly, Lanfranco, R., Jana, P. K., Bruylants, G., Cicuta, P., Mognetti, B.M., and Michele, L.D., Nanoscale (RSC) 2020, 12, 18616 DOI:  https://doi.org/10.1039/D0NR04461J

8. Self-assembly of finite-sized colloidal aggregates, Jana, P. K.* and Mognetti, B. M.*, Soft Matter (RSC) 2020, 16, 5915 DOI: https://doi.org/10.1039/D0SM00234H

9. Structural relaxation in amorphous materials under cyclic tension-compression loading, Jana, P. K., and Priezjev, Nikolai V., Journal of Non-Crystalline Solids (Elsevier) 2020, 540, 120098 DOI: https://doi.org/10.1016/j.jnoncrysol.2020.120098

10. Surface-triggered cascade reactions between DNA linkers direct self-assembly of colloidal crystals of controllable thickness, Jana, P. K.* and Mognetti, B. M., Nanoscale (RSC) 2019, 11, 5450 DOI:10.1039/C8NR10217A

11. Translational and rotational dynamics of colloidal particles interacting through reacting linkers, Jana, P. K.* and Mognetti, B. M.*, Physical Review E Rapid Communications (APS) 2019, 100, 060601(R) DOI: https://doi.org/10.1103/PhysRevE.100.060601

12. Kinetics of nanoparticle-membrane adhesion mediated by multivalent interactions, Lanfranco, R., Jana, P. K., Tunesi, L., Cicuta, P., Mognetti, B. M., Michele, L. D., and Bruylants, G., Langmuir (ACS) 2019, 35, 2002 DOI:10.1021/acs.langmuir.8b02707

13. Viscoelastic properties of polyelectrolyte multilayers swollen with ionic liquid solutions, Parveen, N., Jana, P. K., Schoenhoff, M., Polymers (MDPI) 2019, 11, 1285 DOI: 10.3390/polym11081285

14. Nanoscale liquid crystal lubrication controlled by surface structure and film composition, Jana, P. K.*, Chen, W., Alava, M. J., and Laurson, L., Physical Chemistry Chemical Physics (RSC) 2018, 20, 18737 DOI:10.1039/C8CP03353F

15. Irreversible transition of amorphous and polycrystalline colloidal solids under cyclic deformation, Jana, P. K.*, Alava, M. J., and Zapperi, S., Physical Review E (APS) 2018, 98, 062607 DOI: https://doi.org/10.1103/PhysRevE.98.062607

16. Steric interactions between mobile ligands facilitate complete wrapping in passive endocytosis, Michele, L. D., Jana, P. K., and Mognetti, B. M., Physical Review E (APS) 2018, 98, 032406 DOI: https://doi.org/10.1103/PhysRevE.98.032406

17. Irreversibility transition of colloidal polycrystals under cyclic deformation, Jana, P. K., Alava, M. J., and Zapperi, S., Scientific Reports (Nature Publishing Group) 2017, 7, 45550 DOI: https://www.nature.com/articles/srep45550

18. Anomalous approach to thermodynamic equilibrium: structure formation of molecules after vapor deposition, Jana, P. K., Wang, C., Jack, R. L., Chi, L., and Heuer, A., Physical Review E (APS) 2015, 92, 052402 DOI: https://doi.org/10.1103/PhysRevE.92.052402

19. Controlling two-phase self-assembly of an adenine derivative on HOPG via kinetic effects, Wang, C.†, Jana, P. K.†, Zhang, H., Mu, Z., Kehr, G., Blömker, T., Erker, G., Fuchs, H., Heuer, A., and Chi, L., Chemical Communications (RSC) 2014, 50, 9192 DOI: 10.1039/C4CC03714F

20. Deposition of model chains on surfaces: Anomalous relation between flux and stability, Jana, P. K.* and Heuer, A., The Journal of Chemical Physics (AIP) 2013, 138, 124708 DOI: https://doi.org/10.1063/1.4795316

21. Pattern formation of anisotropic molecules on surfaces under non-equilibrium conditions as described by a minimum model, Heuer, A., Jana, P. K., and Lied, F., The Journal of Chemical Physics (AIP) 2013, 138, 214705 DOI:https://doi.org/10.1063/1.4808076

(* Corresponding Authors, † Equal Authors)

Patent Application Filed

Title: Dynamics of Polymer Melts via Hierarchical Modelling.

Authors: Alireza F. Behbahani, Ludwig Schneider, Anastassia Rissanou, Antonis Chazirakis, Petra Bacova, Jana, P. K., Wei Li, Manolis Doxastakis, Patrycja Polinska, Craig Burkhart, Marcus Müller, and Vagelis A. Harmandaris.

Application Date: 14.09.2020

Application No.: GYP2020-260-PSP

Status: Under process at the US patent office