Google-ScholarPeer-Reviewed Journal Publications

(† equal contribution; * corresponding authors)

49. Y. Liao, Z. Li, W. Nie, W. Xia*, “Effect of Reconstructed Vacancy Defects on the Crumpling Behavior of Graphene Sheets”, Forces in Mechanics, 2021, in press. (Invited for a special issue “Computational Mechanics: Methods and Application”)

48. K. Rasuleva, S. Elamurugan, A. Bauer, M. Khan, Q. Wen, Z. Li, P. Steen, A. Guo, W. Xia, S. Mathew, R. Jasen, D. Sun, “Beta-Sheet Richness of the Circulating Tumor-Derived Extracellular Vesicles for Noninvasive Pancreatic Cancer Screening”, ACS Sensors, 2021, in press.

47. Z. Li, Y. Liao, Y. Zhang, Yida Zhang, W. Xia*, “Microstructure and Dynamics of Nanocellulose Films: Insights into the Deformational Behavior”, Extreme Mechanics Letters, 2021, in press.

46. J. Dong, Q. Li, W. Xia, B. Lv, G. Jing, H. Shen, C.-S. Yuan, “Improvement of Water Resistance by Fe2O3/TiO2 Photoelectrocatalysts for Formaldehyde Removal: Experimental and Theoretical Investigation”, Environmental Science and Pollution Research, 2021, in press.

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. (Cover Article)

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. (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. (Computational research highlighted by NDSU CCAST)

— 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. (Cover Article)

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. (Highlighted by NDSU News, Northwestern News, and multiple other news outlets)

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. (Cover Article)

— 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. (Invited for a special issue “Structure-Property-Processing Relationship in Polymer Nanocomposites”)

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. (Featured in NIST Materials Genome Initiative)

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. (Invited for a special topic issue on Dynamics of Polymer Materials)

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. (Invited for the inauguration issue)

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. (Featured as Cover Article)

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. (Invited for a focus issue on “Soft Nanomaterials”)

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.