Mauricio Ponga

Associate Professor

P.L.Eng., B.S. (University of La Plata), M.Sc., Ph.D. (University of Seville), Postdoctoral Fellowship (Caltech)

Current Research Work

I am interested in a number of problems related to the mechanics of materials, computational modelling, and theory. In general, I am interested in modelling and simulation, in particular, coupled problems that are challenging to model and often times it is not possible to do with the state-of-the-art computer simulation codes. Below there are a number of projects that I am currently working on.

Multiscale Modelling of Materials

1. Development of thermalized Quasi-Continuum models (eXtended QC): This involves the development of highly efficient computer codes based on the QC method that bridges the atomic to the continuum. In particular, I am interested in problems involving non-equilibrium thermodynamics, and the effect of mechanical and chemical loads.
2. Coupling electron and phonons in molecular dynamics simulations: This project involves the development of a new model for coupling electronic heat conduction to MD simulations. Coupling of electrons and phonons is important in applications when electrons carry most of the energy, such as in metals, metals-semiconductor interface, laser heat transport, and irradiation problems. Our group has developed a local two-temperature molecular dynamics (l2T-MD) model and has implemented it as an add-on to LAMMPs. details can be found here.
3. c- Development of a diffusive molecular dynamics method for diffusive problems in solids: My group has also developed an extended MD technique (xMD) able to simulate slow diffusive processes such as diffusion of species and vacancies. The technique has been used to study several examples of technological relevance. More details can be found here. Another technique that our group has developed is Accelerated Mesodynamics (aMD). The technique is used for accelerated sampling and dynamics, of crystalline, non-crystalline materials and molecules. Below there is an example of the free-energy of the alanine dipeptide using the dihedrals angles shown.
4. d- Large scale ab-initio simulations in extreme-scale supercomputers: I have also developed a sub-linear scaling density functional theory method to simulate metals and insulators.

Mechanics of Materials

1. Stress in polymer brushes: This project, in collaboration with Prof. Phani at UBC, we developed a semi-analytical model for computing stresses in polymer brushes and performed molecular dynamics simulations of brushes.
2. Mechanics of 2D materials: In this project, we have a universal framework for predicting twinning in two-dimensional materials, i.e., graphene and molybdenum disulfide (MoS2).
3. Spall failure in metals: Using some of the multiscale modelling techniques that I developed, we investigated the spall failure of materials. We have investigated a number of materials, including Mg, Ti, Cu, and Al.
4. Effect of surface dislocations in the superconducting properties of Niobium (Nb): This project, in collaboration with TRIUMF, we are studying the effect of dislocation in the superconducting properties of Nb, which is used in radio-frequency cavities in particle accelerators.

Industry Supported Projects

1. Thermal modelling of a Zinc-Air flow battery: In collaboration with NSERC and MGX-R, we are developing a model to predict the thermal behaviour of the new generation of Zinc-Air flow batteries.
2. Development of materials with heterogeneous microstructures: This project is currently under development and supported with the DND, we are trying to manufacture lightweight metallic alloys with extraordinary ballistic resistance using gradient nano-grained structures.
3. Modeling and simulation of a Coanda-effect screen and penstock cleaning device for run of river facilities: In collaboration with S2SES, we are developing models to better design the Coanda-effect screens used in hydro-electric facilities. Additionally, we are simulating the interaction of penstock pipes with algae and the effect of it in friction.
4. Mechanics of tissue paper: In collaboration with FP Innovations, we are developing mechanistic models to understand the properties of tissue products and the absorption of liquid in them.

Selected Publications

• Z. Tong, M. Ponga, “A new meshfree method for accurate and efficient solutions to solid mechanics problems involving large deviatoric deformation, fracture, and fragmentation,” Computers & Structures, vol. 321, art. 108095, 2026.
• Z. Tong, M. Ponga, “A new meshfree method for accurate and efficient solutions of solid mechanics problems with large deviatoric deformation, fracture, and fragmentation,” Available at SSRN 5412735, 2025.
• M. Isiet, M. Galib, Y. Xiao, J.I. Dadap, Z. Ye, M. Ponga, “Spall failure of alumina at high-strain rates using femtosecond laser experiments and high-fidelity molecular dynamics simulations,” Acta Materialia, art. 121436, 2025.
• M. Isiet, Y. Xiao, J.I. Dadap, Z. Ye, M. Ponga, “Femtosecond two-pulse laser approach for spall failure in thin foils,” Materials & Design, art. 114443, 2025.
• M. Galib, J. Liu, M. Ponga, “Dendrite Inhibition Using Hetero-Epitaxial Residual Stress in Zn Metal Batteries,” Electrochemical Society Meeting Abstracts, vol. 247, pp. 687-687, 2025.
• M. Galib, J. Xu, A. Amardeep, J. Liu, M. Ponga, “Dendrite Suppression in Zn Batteries through a Heteroepitaxial Residual Stress Shield,” ACS Applied Materials & Interfaces, vol. 17, no. 35, pp. 49387-49399, 2025.
• M. Isiet, M. Ponga, “Two-pulse laser-induced spall failure of (111) twist grain boundaries in Ni bicrystals,” Computational Materials Science, vol. 257, art. 113957, 2025.
• M. Hendy, O.K. Orhan, H. Shin, A. Malek, M. Ponga, “GAPF-DFT: A graph-based alchemical perturbation density functional theory for catalytic high-entropy alloys,” npj Computational Materials, vol. 11, no. 1, art. 94, 2025.
• M. Isiet, M. Ponga, “Photo-induced spall failure of (111) twist grain boundaries in Ni bicrystals,” arXiv preprint arXiv:2501.17371, 2025.
• M. Galib, M. Isiet, M.R. Ponga, “AtomProNet: Data flow to and from machine learning interatomic potentials in materials science,” Machine Learning: Science and Technology, 2025.
• J. Xu, M. Galib, Z. Wu, L. Tao, Y. Shao, Y. Zhang, X. Guo, E.J. Hansen, Y. Chen, et al., “High-entropy strategy to suppress volumetric strain and enhance diffusion rate of Na3V2(PO4)2F3 cathode for durable and high-areal-capacity zinc-ion battery pouch cells,” Nano Energy, vol. 132, art. 110373, 2024.
• M. Galib, O.K. Orhan, J. Liu, M. Ponga, “Residual stress development in lattice mismatched epitaxial thin films via atomic and molecular layer depositions,” Journal of the Mechanics and Physics of Solids, vol. 193, art. 105897, 2024.
• M. Galib, J. Liu, M. Ponga, “Dendrite Inhibition Using Heteroepitaxial Residual Stress in Thin Film Deposition,” PRiME 2024, October 6-11, 2024.
• L. Sang, M. Ponga, M. Fleischauer, R. Wu, “Navigating Solvent Chemistry and Microstructures: Toward Mechanically Enhanced Ceramic-Rich Composite Electrolytes,” The Journal of Physical Chemistry C, vol. 128, no. 41, pp. 17240-17251, 2024.
• J.P. Mendez Granado, “MXE: A LAMMPS package for simulating long-term diffusive mass transport in nanoscale systems,” Sandia National Laboratories (SNL-NM), Albuquerque, NM, United States, 2024.
• Y. Zhang, O. Orhan, L. Tao, M. Ponga, J. Liu, “Tellurium-Boosted Sulfur Cathodes for Lithium/Zinc-Ions Storage,” Electrochemical Society Meeting Abstracts, vol. 245, pp. 107-107, 2024.
• M. Galib, J. Liu, M. Ponga, “Dendrite Inhibition Strategy Using Hetero-Epitaxial Residual Stresses in Thin Film Deposition Mechanics,” 245th ECS Meeting, May 26-30, 2024.
• L. Caparini, G.J. Elfring, M. Ponga, “Adaptive design of experiments methodology for noise resistance with unreplicated experiments,” arXiv preprint arXiv:2405.04624, 2024.
• M. Manav, M. Ponga, M. Ortiz, “Modeling hard–soft block copolymers as a liquid crystalline polymer,” Polymer, vol. 287, art. 126389, 2023.
• M. Hendy, M. Ponga, “A multiscale and multiphysics framework to simulate radiation damage in nano-crystalline materials,” Journal of Nuclear Materials, vol. 578, art. 154347, 2023.
• M. Hendy, O.K. Orhan, H. Shin, A. Malek, M. Ponga, “Screening High-Entropy Alloys for Carbon Dioxide Reduction Reaction Using Alchemical Perturbation Density Functional Theory,” TMS Annual Meeting & Exhibition, pp. 119-126, 2023.
• M. Ponga, O.K. Orhan, D.F. Rojas, “Computational Design of an Ultra-Strong High-Entropy Alloy,” TMS Annual Meeting & Exhibition, pp. 43-50, 2023.
• M. Galib, O.K. Orhan, M. Ponga, “Engineering chemo-mechanical properties of Zn surfaces via alucone coating,” The Journal of Physical Chemistry C, vol. 127, no. 5, pp. 2481-2492, 2023.
• O.K. Orhan, M. Hendy, M. Ponga, “Electronic effects on the radiation damage in high-entropy alloys,” Acta Materialia, vol. 244, art. 118511, 2023.

Full List of Publications

For a full list of publications, visit my profile on: