Google-ScholarPeer-Reviewed Journal Publications

(† equal contribution; * corresponding authors)

45. A. Alesadi, F. Fatima, W. Xia*, D. Kilin*, “First-Principles Study on the Electronic Properties of PDPP-based Conjugated Polymer via Density Functional Theory”, The Journal of Physical Chemistry B, 2021, 125(31), 8953-8964.

44. Y. Liao, Z. Li, S. Ghazanfari, F. Fatima, A. Croll, W. Xia*, “Understanding the Role of Self-Adhesion in Crumpling Behaviors of Sheet Macromolecules”, Langmuir, 2021, 37, 28, 8627-8637.

43. F. Fatima, T. Inerbaev, W. Xia*, D. Kilin*, “Magnetic-Field-Driven Electron Dynamics in Graphene”, The Journal of Physical Chemistry Letters, 2021, 12(19), 4749-4754.

  • Featured as Cover Article

42. S. Zhang, A. Alesadi, M. Selivanova, K-L. Chen, G. Freychet, L. Galuska, Y.-H. Cheng, P. B. Onge, M. U. Ocheje, G. Ma, Z. Qian, S. Dhakal, Z. Ahmed, Y-C. Chiu, S. Rondeau-Gagné*, W. Xia*, X. Gu*, “Molecular Origin of Strain-Induced Chain Alignment in PDPP-based Semiconducting Polymers”, Advanced Functional Materials, 2021, 31(21), 2100161.

41. A. Karuth, A. Alesadi, W. Xia*, B. Rasulev*, “Predicting Glass Transition of Amorphous Polymers by Application of Cheminformatics and Molecular Dynamics Simulations”, Polymer, 2021, 218, 123495.

40. Y. Liao, Z. Li, F. Fatima, W. Xia*, “Size-Dependent Structural Behaviors of Crumpled Graphene Sheets”, Carbon, 2021, 174, 148-157.

— 2020 —

39. Z. Cao, Z. Li, S. Zhang, L. Galuska, T. Li, C. Do, W. Xia, K. Hong, X. Gu, “Decoupling Conjugated Poly(3-alkylthiophenes)’ Backbone and Sidechain Conformation by Selective Deuteration and Neutron Scattering”, Macromolecules, 2020, 53(24), 11142-11152.

38. Z. Li, W. Xia*, “Coarse-Grained Modeling of Nanocellulose Network towards Understanding the Mechanical Performance”, Extreme Mechanics Letters, 2020, 40, 100942.

37. W.-S. Xu*, J. Douglas*, W. Xia*, X. Xu*, “Understanding Activation Volume in Glass-Forming Polymer Melts via Generalized Entropy Theory”, Macromolecules, 2020, 53(17), 7239-7252.

36. W.-S. Xu*, J. Douglas*, W. Xia*, X. Xu*, “Investigation of the Temperature Dependence of Activation Volume in Glass-Forming Polymer Melts under Variable Pressure Conditions”, Macromolecules, 2020, 53(16), 6828-6841.

35. Y. Sun, H. Yang, W. Xia, Y.-F. Guo, “Molecular Dynamics Simulation of Surface Welding in Crosslinked Networks with Thermally Reversible Linkages”, Applied Surface Science, 2020, 527, 16947.

34. S. Zhang, A. Alesadi, M. Selivanova, Z. Cao, Z. Qian, S. Luo, L. Galuska, C. Teh, M. Ocheje, G. Mason, B. Onge, D. Zhou, S. Rondeau-Gagné*, W. Xia*, X. Gu*, “Toward the Prediction and Control of Glass Transition Temperature of Donor-Acceptor Polymers”, Advanced Functional Materials, 2020, 30(27), 2002221.

33. A. Alesadi, W. Xia*, “Understanding the Role of Cohesive Interaction in Mechanical Behavior of a Glassy Polymer”, Macromolecules, 2020, 53(7), 2754-2763.

32. W.-S. Xu, W. Xia*, “Energy Renormalization for Coarse-Graining Polymers with Different Fragilities: Predictions from the Generalized Entropy Theory”, Macromolecular Theory and Simulations, 2020, 29(2), 1900051.

31. Q. Zhang, J. Cai, W. Xia, J. Feng, “Snap-Through of Shallow Circular Arches with Variable Horizontal Supports under Unilateral Displacement Control”, Journal of Engineering Mechanics, 2020, 146(4), 04020013.

— 2019 —

30. C. Wu, R. Wu, W. Xia, L. Tam, “Understanding Creep Behavior of Semi-Crystalline Polymer via Coarse-Grained Modeling”, Journal of Polymer Science, Part B: Polymer Physics, 2019, 57(24), 1779-1791.

29. M. Cheng, Y. Liu, B. Zhong, H. Wang, Y. Liu, X. Liang, W. Chen, S. Chen, M. Li, W. Xia*, X. Wang*, “Superhydrophobic Surface with Controllable Adhesion for Anti-Roof-Collapse Application in Flexible Microfluidics”, Advanced Materials Interfaces, 2019, 5(22), 1901178.

28. W. Xia*, T. Lan, “Interfacial Dynamics Governs the Mechanical Properties of Glassy Polymer Thin Films”, Macromolecules, 2019, 52(17), 6547-6554.

27. W. Xia*, N. Hansoge, W.-S. Xu, F. Phelan, S. Keten, J. F. Douglas, “Energy Renormalization for Coarse-Graining Polymers Having Different Segmental Structures”, Science Advances, 2019, 5(4), eaav4683.

26. J. Song, R. Kahraman, D.W. Collinson, W. Xia, L.C. Brinson, S. Keten, “Temperature Effects on the Nanoindentation Characterization of Stiffness Gradients in Confined Polymers”, Soft Matter, 2019, 15, 359-370.

— 2018

25. W. Xia*, X. Qin, Y. Zhang, R. Sinko, S. Keten*, “Achieving Enhanced Interfacial Adhesion and Dispersion in Cellulose Nanocomposites via Amorphous Interfaces”, Macromolecules, 2018, 51(24), 10304-10311.

24. N. Hansoge, T. Huang, R. Sinko, W. Xia*, W. Chen*, S. Keten*, “Materials by Design for Stiff and Tough Hairy Nanoparticle Assemblies”, ACS Nano, 2018, 12(8), 7946-7958.

23. W. Xia*, V.F. Lara, S. Keten*, J. Douglas*, “Structure and Dynamics of a Graphene Melt”, ACS Nano, 2018, 12(6), 5427-5435.

22. W. Xia*, J. Song, N. Hansoge, F. Phelan, S. Keten*, J. Douglas*, “Energy Renormalization to Coarse-Graining the Dynamics of a Model Glass-Forming Liquid”, The Journal of Physical Chemistry B, 2018, 122(6), 2040-2045.

21. J. Song, D. Hsu, K. Shull, F. Phelan, J. Douglas, W. Xia*, S. Keten*, “Energy Renormalization Method for the Coarse-Graining of Polymer Viscoelasticity”, Macromolecules, 2018, 51(10), 3818-3827. 

— 2017 and Before —

20. W. Xia, J. Song, J. Cheol, D. Hsu, F. Phelan, J. Douglas, S. Keten, “Energy-Renormalization for Achieving Temperature Transferable Coarse-Graining of Polymer Dynamics”, Macromolecules, 2017, 50(21), 8787-8796.

19. D. Hsu, W. Xia, J. Song, S. Keten, “Dynamics of Interacting Interphases in Polymer Bilayer Thin Films”, MRS Communications, 2017, 7(4), 832-839.

18. Z. Meng, R. A. Soler-Crespo, W. Xia, W. Gao, L. Ruiz, H. D. Espinosa, S. Keten,“A Coarse-Grained Model for the Mechanical Behavior of Graphene Oxide”, Carbon, 2017, 117, 1-13.

17. W. Xia, J. Song, D. Hsu, S. Keten, “Side-Group Size Effects on Interfaces and Glass Formation in Supported Polymer Thin Films”, The Journal of Chemical Physics, 2017, 146, 203311-8.

16. Z. Meng, M. Bessa, W. Xia, W.K. Liu, S. Keten, “Predicting the Macroscopic Fracture Energy of Epoxy Resins from Atomistic Molecular Simulations”, Macromolecules, 2016, 49(24), 9474-9483.

15. W. Xia, J. Song, Z. Meng, S. Keten, “Designing Multi-layered Graphene-based Assemblies for Enhanced Toughness in Nacre-inspired Nanocomposites”, Molecular Systems Design and Engineering, 2016, 1, 40-47.

14. W. Xia, J. Song, D. Hsu, S. Keten, “Understanding Interfacial Mechanical Response of Nanoscale Polymer Thin Films via Nanoindentation”, Macromolecules, 2016, 49(10), 3810-3817.

13. D. Hsu, W. Xia, J. Song, S. Keten, “Glass-Transition and Sidechain Dynamics in Thin Films: Explaining Dissimilar Free Surface Effects for Polystyrene vs. Poly(methyl methacrylate)”, ACS Macro Letters, 2016, 5, 481.

12. W. Xia, L. Ruiz, N. Pugno, S. Keten, “Critical Length Scales and Strain Localization Govern the Mechanical Performance of Multi-layer Graphene Assemblies”, Nanoscale, 2016, 8, 6738-6744.

11. X. Wei, Z. Meng, L. Ruiz, W. Xia, C. Lee, J. Kysar, J. Hones, S. Keten, H. Espinosa, “Recoverable Dislocation Mechanism in Multilayer Graphene Leads to Repeatable Energy Dissipation”, ACS Nano, 2016, 10(2), 1820-1828.

10. X. Qin, W. Xia, R. Sinko, S. Keten, “Tuning Glass Transition in Polymer Nanocomposites with Functionalized Cellulose Nanocrystals through Nanoconfinement”, Nano Letters, 2015, 15(10), 6738-6744.

9. W. Xia, S. Keten, “Interfacial Stiffening of Polymer Thin Film under Nanoconfinement”, Extreme Mechanics Letters, 2015, 4, 89-95.

8. W. Xia, D. Hsu, S. Keten, “Effect of Molecular Weight on Glass Transition and Confinement Behaviors of Polymer Thin Film”, Macromolecular Rapid Communications, 2015, 36(15), 1422-1427.

7. D. Hsu, W. Xia, S. Arturo, S. Keten, “Thermomechanically Consistent and Transferable Coarse-Graining of Polystyrene Stereoisomers”, Macromolecules, 2015, 48(9), 3057-3068.

6. W. Xia, S. Keten, “Size-dependent Mechanical Behavior of Free-Standing Glassy Polymer Thin Films”, Journal of Materials Research, 2015, 30(1), 36-45.

5. L. Ruiz, W. Xia, Z. Meng, S. Keten, “A Coarse-Grained Model for the Mechanical Behavior of Multi-layer Graphene”, Carbon, 2015, 82, 103-115.

4. W. Xia, D. Hsu, S. Keten, “Dependence of Polymer Thin Film Adhesion Energy on Cohesive Interactions between Chains”, Macromolecules, 2014, 47(15), 5286-5294.

3. D. Hsu, W. Xia, S. Arturo, S. Keten, “A Systematic Method for Thermomechanically Consistent Coarse-Graining: A Universal Model for Methacrylate-based Polymers“, Journal of Chemical Theory and Computation, 2014, 10(6), 2514-2527.

2. W. Xia, S. Keten, “Coupled Effects of the Substrate Adhesion and Intermolecular Forces on Polymer Thin Film Glass-Transition Behavior”, Langmuir, 2013, 29(41), 12730–12736. 

1. W. Xia, S. Mishra, S. Keten, “Substrate vs. Free Surface: Competing Effects on the Glass Transition of Polymer Thin Films”, Polymer, 2013, 54(21), 5942–5951.