Multiscale Mechanics of Materials Laboratory

Publication

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  1. F. Shuang, Y. Ji, Z. We, C. Dong, W. Gao, L. Laurenti, P. Dey, Decoding the hidden dynamics of super-Arrhenius hydrogen diffusion in multi-principal element alloys via machine learning, Acta Materialia, in press, 2025.
  2. G.Minnick, T. Goldsmith, B. Tajvidi Safa, A. O. Moghaddam, J. Rosenbohm, N. V. Lavrik, W. Gao, R. Yang, Towards Standardized Microscale Tensile Testing for TPP Fabricated Materials in Liquid, submitted, 2025.
  3. F. Shuang, Z. Wei, K. Liu, W. Gao, P. Dey, Universal machine learning interatomic potentials poised to supplant DFT in modeling general defects in metals and random alloys , arxiv.org/abs/2502.03578, submitted, 2025.
  4. W. Zhang, M. Tang, H. Mu, X. Yang, X. Zeng, R. Tuo, W. Chen, W. Gao, Inverse Design of Nonlinear Mechanics of Bio-inspired Materials Through Interface Engineering and Bayesian Optimization , arxiv.org/abs/2412.14071, submitted, 2024.
  5. F. Shuang, K. Liu, Y. Ji, W. Gao, L. Laurenti, P. Dey, Modeling Extensive Defects in Metals through Active Machine Learning and Automated Configuration Reconstruction , arxiv.org/abs/2411.0736, submitted, 2024.
  6. R. Namakian, M. Vargas, Q. Tu, A. Erdemir, W. Gao, Temperature-Induced Phase Transition in 2D Alkylammonium Lead Halide Perovskites: A Molecular Dynamics Study, ACS Nano, 18, 34, 22926–22937, 2024.
  7. D. Ocampo, D. Posso, R. Namakian, W. Gao, Adaptive Loss Weighting for Machine Learning Interatomic Potentials, Computational Materials Science, 244, 113155, 2024.
  8. X Yang, W Gao, X Wang and X Zeng, Predicting the Mechanical Behavior of a Bioinspired Nanocomposite through Machine Learning , Computer Modeling in Engineering & Sciences, 140, no. 2, 2024.
  9. R. Hassan, M. Vargas, W. Gao and F. Ahmadpoor, Entropic pressure on fluctuating solid membranes, Journal of the Mechanics and Physics of Solids, 183, 105523, 2024.
  10. F. Shuang, R. Ji, L, Xiong and W. Gao, Effect of Periodic Image Interactions on Kink Pair Activation of Screw Dislocation, Computational Materials Science, 228, 112369, 2023.
  11. A. Ghasemi, Y. Liao, Z. Li, W. Xia, and W. Gao, Crystallization and melting of polymer chains on graphene and graphene oxide, Nanoscale, 15, 12235-12244, 2023 (Featured on cover).
  12. F. Shuang, P. Xiao, L. Xiong and W. Gao, Atomistic Mechanisms of Phase Nucleation and Propagation in a Model Two-Dimensional System, Proceedings of the Royal Society A, 478:20220388, 2022.
  13. G. Minnick, B. Safa, J. Rosenbohm, N. Lavrik, J. Brooks, A. Esfahani, X. Jin, H Zhai, A. Samaniego, F. Meng, B. Richter, W. Gao, R. Yang, Two Photon Polymerized Shape Memory Microfibers: A New Mechanical Characterization Method in Liquid, Advanced Functional Materials, 2206739, 2022 (Featured on cover).
  14. Y. Peng , R. Ji , T. Phan , W. Gao , V. Levitas and L. Xiong, An Atomistic-to-Microscale Computational Analysis of the Dislocation Pileup-induced Local Stresses near an Interface in Plastically Deformed Two-phase Materials, Acta Materialia, 117663, 2022.
  15. Y. Han, J. Gomez, R. Hua, P. Xiao, W. Gao, J. Jiang, and X. Wang, Removal of glycoaminoglycans affects the in situ mechanical behavior of extrafibrillar matrix in bone, Journal of the Mechanical Behavior of Biomedical Materials, 123, 104766, 2021.
  16. Y. Li , C. Wei , S. Huang , A. Ghasemi , W. Gao , C. Wu , V. Mochalin, In Situ Tensile Testing of Nanometer-Thick Two-Dimensional Transition-Metal Carbide Films: Implications for MXenes Acting as Nanoscale Reinforcement Agents , ACS Applied Nano Materials, 4, 5, 5058–5067, 2021.
  17. D. Barron, P. Chakravarthy, R. Nagarkar, Y. Cao, W. Gao, IMU-based Autonomous Solar Tracking System with Soft Actuators: A Machine Learning Approach, The IEEE Control Systems Society Conference Proceedings, 1172-1178, 2021.
  18. A. Ghasemi, W. Gao, A Method to Apply Piola-Kirchhoff Stress in Molecular Statics Simulation , Computational Materials Science, 195, 110496, 2021. (Editor’s Choice)
  19. A. Ghasemi, W. Gao, Atomistic Mechanism of Stress Modulated Phase Transition in Monolayer MoTe2 , Extreme Mechanics Letters, 40, 100946, 2020.
  20. A. Ghasemi, W. Gao, A Method to Predict Energy Barriers in Stress Modulated Solid-solid Phase Transitions , Journal of the Mechanics and Physics of Solids, 137, 103857, 2020.
  21. A. Ghasemi, P. Xiao, W. Gao, Nudged elastic band method for solid-solid transition under finite deformation , The Journal of Chemical Physics, 151, 054110, 2019.
  22. R. Manno, W. Gao, I. Benedetti, Engineering the crack path in lattice cellular materials through bio-inspired micro-structural alterations, Extreme Mechanics Letters 26, 8–17, 2019.
  23. C. Wu, T. Taghvaee, C. Wei, A. Ghasemi, G. Chen, N. Leventis, W. Gao, Multi-scale Progressive Failure Mechanism and Mechanical Properties of Nanofibrous Polyurea Aerogels, Soft Matter, 14, 7801-7808, 2018 (Featured on cover).
  24. N. Ebrahimi, S. Nugroho, A. F. Taha, N. Gatsis, W. Gao, A. Jafari, Dynamic actuator selection and robust state-feedback control of networked soft actuators. IEEE International Conference on Robotics and Automation (ICRA), 2857-2864, 2018.
  25. R. Crespo, W. Gao, L. Mao, M. Roenbeck, H. Nguyen, J. Paci, J. Huang, S. Nguyen, H. Espinosa, The Role of Water in Mediating Interfacial Adhesion and Shear Strength in Graphene Oxide, ACS Nano, 12 (6), 6089–6099, 2018.
  26. I. Benedetti, H. Nguyen, R. Soler-Crespo, W. Gao, L. Mao, A. Ghasemi, J. Wen, S. Nguyen, H. Espinosa, Formulation and Validation of a Reduced Order Model of 2D Materials Exhibiting a Two-Phase Microstructure as Applied to Graphene Oxide, Journal of the Mechanics and Physics of Solids, 112, 66-88, 2018.
  27. Z. Meng, R. Crespo, W. Xia, W. Gao, L. Ruiz, H. Espinosa and S. Keten, A coarse-grained model for the mechanical behavior of graphene oxide, Carbon, 117, 476-487, 2017.
  28. R. Yang, A. Zaheri, W. Gao, C. Hayashi and H D. Espinosa, AFM Identification of Beetle’s Exocuticle – Bouligand Structure and Nanofiber Anisotropic Elastic Properties, Advanced Functional Materials, 1603993, 2017. (Featured on cover, Media reports: Science Newsline, Science Daily, PHYS.ORG.)
  29. I. Benedetti, R. Crespo, A. Pedivellano, W. Gao, H. Espinosa, A Continuum Damage Model for Functionalized Graphene Membranes Based on Atomistic Simulations, Key Engineering Materials, 754, 173-176, 2017.
  30. P. Wang, W. Gao, J. Wilkerson, K. Liechti, R. Huang, Cavitation of water by volume controlled stretching, Extreme Mechanics Letters, 59, 2017.
  31. R. Crespo, W. Gao, P. Xiao, X. Wei, J. Paci, G. Henkelman, H. Espinosa. Engineering the Mechanical Properties of Monolayer Graphene Oxide at the Atomic Level, The Journal of Physical Chemistry Letters, 7, 2702-2707, 2016.
  32. P. Wang, W. Gao and R. Huang. Entropic Effects of Thermal Rippling on van der Waals Interactions between Monolayer Graphene and a Rigid Substrate, Journal of Applied Physics, 119, 074305, 2016.
  33. R. Ramachandramoorthy, W. Gao, R. Bernal and H. Espinosa. High Strain Rate Tensile Testing of Silver Nanowire – Rate Dependent Brittle-to-ductile Transition, Nano Letters, 16, 1, 2016.
  34. W. Gao, K.M. Liechti and R. Huang. Wet adhesion of Graphene, Extreme Mechanics Letters, 3, 130-140, 2015.
  35. W. Gao, R. Huang. Thermomechanics of monolayer graphene: rippling, thermal expansion and elasticity, Journal of Mechanics and Physics of Solids, 66, 42-58, 2014.
  36. W. Gao, P. Xiao, G. Henkelman, K.M. Liechti, R. Huang. Interfacial adhesion between graphene and silicon dioxide substrate by density functional theory with van der Waals corrections, J. Phys. D: Appl. Phys, 47, 255301, 2014.
  37. Z. Cao, P. Wang, W. Gao, L. Tao, J. W. Suk, R. S. Ruoff, D. Akinwande, R. Huang, K. M. Liechti. A Blister test for interfacial adhesion of large-scale transferred graphene, Carbon, 68, 390-400, 2014.
  38. P. Wang, W. Gao, Z. Cao, K.M. Liechti, R. Huang. Numerical analysis of circular graphene bubbles, Journal of Applied Mechanics, 80, 040905, 2013.
  39. K. Yue, W. Gao, R. Huang, K.M. Liechti. Analytical methods for the mechanics of graphene bubbles, Journal of Applied Physics, 112, 083512, 2012.
  40. W. Gao, R. Huang, Effect of surface roughness on adhesion of graphene membranes, Journal of Physics D: Applied Physics, 44, 452001, 2011.
  41. Q. Lu, W. Gao, R. Huang. Atomistic simulation and continuum modeling of graphene nanoribbons under uniaxial tension, Modelling and simulation in materials science and engineering, 19, 054006, 2011.
  42. G. Wang, X. Feng, T. Wang, W. Gao, Surface effects on the near-tip stresses for mode-I and mode-III cracks, Journal of Applied Mechanics, 75, 011001, 2008.
  43. G. Huang, W. Gao, S. Yu. Model for the adsorption-induced change in resonance frequency of a cantilever, Applied physics letters, 89(4), 043506, 2006.
  44. W. Gao, S. Yu, G. Huang, Finite element characterization of the size-dependent mechanical behavior in nanosystems, Nanotechnology, 17, 1118, 2006.