Dr Guanchen Li

  • Lecturer in Thermal Energy / Multiscale Materials (Systems Power & Energy)

Biography

I am a Lecturer in Thermodynamics and Multiscale Engineering and a member of the Energy and Sustainability Group within the Systems, Power & Energy (SPE) Research Division of the James Watt School of Engineering. I joined the School in 2022.

I was a postdoctoral researcher in the Department of Engineering Science (2017-2021) and a Stipendiary Lecturer of Engineering Science at St Peter’s College, University of Oxford (2021). From 2018 to 2021, I participated in two projects of the EPSRC Faraday Institution: Solid-state battery (SOLBAT) and Multiscale (MSM). I worked on continuum transport models to study the failure mechanism of solid-state lithium-ion batteries.

Prior to this, I was a postdoctoral researcher at Virginia Tech (2016) working on density functional theory. My doctoral research focused on the fundamental theory and modelling of far-from-equilibrium phenomena (e.g., chemical reaction, heat and mass diffusion) using a novel nonequilibrium thermodynamic framework named steepest entropy ascent quantum thermodynamics (SEAQT).

Education:

  • 2015    PhD in Mechanical Engineering, Virginia Tech, USA
  • 2011    BS in Physics (dual degree in Economics), Peking University, China

 

Research interests

I am interested in modelling nonequilibrium processes – e.g., reaction, diffusion, heat transfer, phase transition, etc.– in devices for energy storage and conversion. My experience ranges from the quantum level to the device level with applications including batteries, fuel cells, engines, and electronic devices. My research covers fundamental theories, numerical algorithms, models and practical applications. 

I currently focus on batteries modelling. We use Newman’s concentrated solution theory to simulate battery performance and investigate battery failure and degradation. This framework is widely used in both industrial companies and academic institutions for battery design and simulation. We apply this framework to study the electrochemomechanics in batteries – i.e., the coupling of solid mechanics and electrochemistry. Our goal is to exploit multiscale modelling (from materials to devices) to advance the design, manufacturing and control of the battery. We link computational technology to practical battery engineering. We collaborate widely with the researchers in the areas of applied mathematics, physics, material sciences, and control engineering.

Our model is used to:

  1. predict the performance of batteries including next-generation designs (e.g., solid-state batteries);
  2. explain the failure mechanism based on the experimental observation (e.g., tomography);
  3. interpret the data of battery testing (e.g., electrochemical impedance spectroscopy); and
  4. support the techno-economic analysis of battery technology.

Current topics of interest include:

  1. physics-based models for battery design and battery management system;
  2. predictions of history-dependant performance of commercial batteries (e.g., voltage hysteresis in electrode materials, LiC6 and LiFePO4);
  3. failure and degradation mechanism of batteries;
  4. next-generation batteries using solid electrolytes, ionic-liquids, etc.;
  5. interpretation of battery testing, e.g., electrochemical impedance, acoustic test, etc.; and
  6. thermal management in batteries. 

Another aspect of my research is more theoretical. I am looking into the entropy generation in the far-from-equilibrium realm, where temperature and pressure cannot be defined. Our framework, Steepest-Entropy-Ascent Quantum Thermodynamics (SEAQT), describes entropy generation as probability redistribution among quantum microstates. The equation of motion predicts the system evolution using the maximum-entropy-generation principle. This framework can incorporate quantum energy eigenlevels into meso-/macroscopic dynamics and provide an alternative approach for modelling coupled irreversible phenomena. 

Current topics of interest include:

  1. materials in meta-equilibrium phases;
  2. heat and mass transfer in nanoscale, electron-phonon coupling;
  3. reaction and charge transfer at the interface; and
  4. complex reaction network.

 

Publications

List by: Type | Date

Jump to: 2022 | 2021 | 2020 | 2019 | 2018 | 2017 | 2016 | 2014
Number of items: 24.

2022

Gao, Z., Yang, J., Li, G. , Ferber, T., Feng, J., Li, Y., Fu, H., Jaegermann, W., Monroe, C. W. and Huang, Y. (2022) TiO2 as second phase in Na3Zr2Si2PO12 to suppress dendrite growth in sodium metal solid-state batteries. Advanced Energy Materials, 12(9), 2103607. (doi: 10.1002/aenm.202103607)

2021

Li, G. and Monroe, C. W. (2021) Transport of secondary carriers in a solid lithium-ion conductor. Electrochimica Acta, 389, 138563. (doi: 10.1016/j.electacta.2021.138563)

Ning, Z. et al. (2021) Visualizing plating-induced cracking in lithium-anode solid-electrolyte cells. Nature Materials, 20(8), pp. 1121-1129. (doi: 10.1038/s41563-021-00967-8) (PMID:33888903)

Li, G. and Monroe, C. W. (2021) Modeling lithium transport and electrodeposition in ionic-liquid based electrolytes. Frontiers in Energy Research, 9, 660081. (doi: 10.3389/fenrg.2021.660081)

2020

Pasta, M. et al. (2020) 2020 roadmap on solid-state batteries. Journal of Physics: Energy, 2(3), 032008. (doi: 10.1088/2515-7655/ab95f4)

Li, G. and Monroe, C. W. (2020) Multiscale lithium-battery modeling from materials to cells. Annual Review of Chemical and Biomolecular Engineering, 11, pp. 277-310. (doi: 10.1146/annurev-chembioeng-012120-083016)

2019

Li, G. and Monroe, C. W. (2019) Dendrite nucleation in lithium-conductive ceramics. Physical Chemistry Chemical Physics, 21(36), pp. 20354-20359. (doi: 10.1039/C9CP03884A) (PMID:31497811)

Li, G. and Monroe, C. W. (2019) Modeling Transport Properties in Concentrated Systems Considering Species Association. International Battery Association 2019 (IBA 2019), La Jolla, CA, USA, 03-08 Mar 2019. (doi: 10.1149/MA2019-03/2/267)

Kusaba, A., Li, G. , Kempisty, P., von Spakovsky, M. and Kangawa, Y. (2019) CH4 Adsorption Probability on GaN(0001) and (000−1) during Metalorganic Vapor Phase Epitaxy and Its Relationship to Carbon Contamination in the Films. Materials, 12(6), 972. (doi: 10.3390/ma12060972) (PMID:30909584) (PMCID:PMC6470845)

2018

Li, G. and von Spakovsky, M. R. (2018) Steepest-entropy-ascent model of mesoscopic quantum systems far from equilibrium along with generalized thermodynamic definitions of measurement and reservoir. Physical Review E, 98(4), 042113. (doi: 10.1103/PhysRevE.98.042113)

Li, G. and Monroe, C. W. (2018) Electrochemomechanics in Doped Garnet Lithium-Ion Conductors. 233rd ECS Meeting, Seattle, WA, USA, 13-18 May 2018. (doi: 10.1149/MA2018-01/1/5)

Li, G. , von Spakovsky, M. R., Shen, F. and Lu, K. (2018) Multiscale transient and steady-state study of the influence of microstructure degradation and chromium oxide poisoning on solid oxide fuel cell cathode performance. Journal of Non-Equilibrium Thermodynamics, 43(1), pp. 21-42. (doi: 10.1515/jnet-2017-0013)

Li, G. , von Spakovsky, M. R. and Hin, C. (2018) Steepest entropy ascent quantum thermodynamic model of electron and phonon transport. Physical Review B, 97(2), 024308. (doi: 10.1103/PhysRevB.97.024308)

2017

Kusaba, A., Li, G. , von Spakovsky, M. R., Kangawa, Y. and Kakimoto, K. (2017) Modeling the non-equilibrium process of the chemical adsorption of ammonia on GaN(0001) reconstructed surfaces based on steepest-entropy-ascent quantum thermodynamics. Materials, 10(12), 948. (doi: 10.3390/ma10080948)

Huang, J., Tea, E., Li, G. and Hin, C. (2017) Hydrogen release at metal-oxide interfaces: a first principle study of hydrogenated Al/SiO2 interfaces. Applied Surface Science, 406, pp. 128-135. (doi: 10.1016/j.apsusc.2017.02.059)

Li, G. and von Spakovsky, M. R. (2017) Study of nonequilibrium size and concentration effects on the heat and mass diffusion of indistinguishable particles using steepest-entropy-ascent quantum thermodynamics. Journal of Heat Transfer, 139(12), 122003. (doi: 10.1115/1.4036735)

Tea, E., Huang, J., Li, G. and Hin, C. (2017) Atomic bonding and electrical potential at metal/oxide interfaces, a first principle study. Journal of Chemical Physics, 146(12), 124706. (doi: 10.1063/1.4979041) (PMID:28388161)

2016

Li, G. and von Spakovsky, M. R. (2016) Modeling the nonequilibrium effects in a nonquasi-equilibrium thermodynamic cycle based on steepest entropy ascent and an isothermal-isobaric ensemble. Energy, 115(1), pp. 498-512. (doi: 10.1016/j.energy.2016.09.010)

Li, G. and von Spakovsky, M.R. (2016) Non-equilibrium Framework Applicable at all Spatial and Temporal Scales Using Steepest-entropy-ascent Quantum Thermodynamics. In: 4th International Conference on Computational Methods for Thermal Problems (THERMACOMP 2016), Atlanta, GA, USA, 06-08 Jul 2016,

Li, G. and von Spakovsky, M. R. (2016) Application of steepest-entropy-ascent quantum thermodynamics to predicting heat and mass diffusion from the atomistic up to the macroscopic level. In: ASME 2015 International Mechanical Engineering Congress and Exposition: Volume 6B: Energy, Houston, Texas, USA, November 13–19 2015, IMECE2015-53581. ISBN 9780791857441 (doi: 10.1115/IMECE2015-53581)

Li, G. and von Spakovsky, M. R. (2016) Study of the transient behavior and microstructure degradation of a SOFC cathode using an oxygen reduction model based on steepest-entropy-ascent quantum thermodynamics. In: ASME 2015 International Mechanical Engineering Congress and Exposition: Volume 6B: Energy, Houston, Texas, USA, November 13–19 2015, IMECE2015-53726. ISBN 9780791857441 (doi: 10.1115/IMECE2015-53726)

Li, G. and von Spakovsky, M. R. (2016) Generalized thermodynamic relations for a system experiencing heat and mass diffusion in the far-from-equilibrium realm based on steepest entropy ascent. Physical Review E, 94(3), 032117. (doi: 10.1103/PhysRevE.94.032117) (PMID:27739710)

Li, G. and von Spakovsky, M. R. (2016) Steepest-entropy-ascent quantum thermodynamic modeling of the relaxation process of isolated chemically reactive systems using density of states and the concept of hypoequilibrium state. Physical Review E, 93(1), 012137. (doi: 10.1103/PhysRevE.93.012137) (PMID:26871054)

2014

Li, G. , Al-Abbasi, O. and von Spakovsky, M. R. (2014) Atomistic-level non-equilibrium model for chemically reactive systems based on steepest-entropy-ascent quantum thermodynamics. Journal of Physics: Conference Series, 538, 012013. (doi: 10.1088/1742-6596/538/1/012013)

This list was generated on Tue May 24 15:11:03 2022 BST.
Number of items: 24.

Articles

Gao, Z., Yang, J., Li, G. , Ferber, T., Feng, J., Li, Y., Fu, H., Jaegermann, W., Monroe, C. W. and Huang, Y. (2022) TiO2 as second phase in Na3Zr2Si2PO12 to suppress dendrite growth in sodium metal solid-state batteries. Advanced Energy Materials, 12(9), 2103607. (doi: 10.1002/aenm.202103607)

Li, G. and Monroe, C. W. (2021) Transport of secondary carriers in a solid lithium-ion conductor. Electrochimica Acta, 389, 138563. (doi: 10.1016/j.electacta.2021.138563)

Ning, Z. et al. (2021) Visualizing plating-induced cracking in lithium-anode solid-electrolyte cells. Nature Materials, 20(8), pp. 1121-1129. (doi: 10.1038/s41563-021-00967-8) (PMID:33888903)

Li, G. and Monroe, C. W. (2021) Modeling lithium transport and electrodeposition in ionic-liquid based electrolytes. Frontiers in Energy Research, 9, 660081. (doi: 10.3389/fenrg.2021.660081)

Pasta, M. et al. (2020) 2020 roadmap on solid-state batteries. Journal of Physics: Energy, 2(3), 032008. (doi: 10.1088/2515-7655/ab95f4)

Li, G. and Monroe, C. W. (2020) Multiscale lithium-battery modeling from materials to cells. Annual Review of Chemical and Biomolecular Engineering, 11, pp. 277-310. (doi: 10.1146/annurev-chembioeng-012120-083016)

Li, G. and Monroe, C. W. (2019) Dendrite nucleation in lithium-conductive ceramics. Physical Chemistry Chemical Physics, 21(36), pp. 20354-20359. (doi: 10.1039/C9CP03884A) (PMID:31497811)

Kusaba, A., Li, G. , Kempisty, P., von Spakovsky, M. and Kangawa, Y. (2019) CH4 Adsorption Probability on GaN(0001) and (000−1) during Metalorganic Vapor Phase Epitaxy and Its Relationship to Carbon Contamination in the Films. Materials, 12(6), 972. (doi: 10.3390/ma12060972) (PMID:30909584) (PMCID:PMC6470845)

Li, G. and von Spakovsky, M. R. (2018) Steepest-entropy-ascent model of mesoscopic quantum systems far from equilibrium along with generalized thermodynamic definitions of measurement and reservoir. Physical Review E, 98(4), 042113. (doi: 10.1103/PhysRevE.98.042113)

Li, G. , von Spakovsky, M. R., Shen, F. and Lu, K. (2018) Multiscale transient and steady-state study of the influence of microstructure degradation and chromium oxide poisoning on solid oxide fuel cell cathode performance. Journal of Non-Equilibrium Thermodynamics, 43(1), pp. 21-42. (doi: 10.1515/jnet-2017-0013)

Li, G. , von Spakovsky, M. R. and Hin, C. (2018) Steepest entropy ascent quantum thermodynamic model of electron and phonon transport. Physical Review B, 97(2), 024308. (doi: 10.1103/PhysRevB.97.024308)

Kusaba, A., Li, G. , von Spakovsky, M. R., Kangawa, Y. and Kakimoto, K. (2017) Modeling the non-equilibrium process of the chemical adsorption of ammonia on GaN(0001) reconstructed surfaces based on steepest-entropy-ascent quantum thermodynamics. Materials, 10(12), 948. (doi: 10.3390/ma10080948)

Huang, J., Tea, E., Li, G. and Hin, C. (2017) Hydrogen release at metal-oxide interfaces: a first principle study of hydrogenated Al/SiO2 interfaces. Applied Surface Science, 406, pp. 128-135. (doi: 10.1016/j.apsusc.2017.02.059)

Li, G. and von Spakovsky, M. R. (2017) Study of nonequilibrium size and concentration effects on the heat and mass diffusion of indistinguishable particles using steepest-entropy-ascent quantum thermodynamics. Journal of Heat Transfer, 139(12), 122003. (doi: 10.1115/1.4036735)

Tea, E., Huang, J., Li, G. and Hin, C. (2017) Atomic bonding and electrical potential at metal/oxide interfaces, a first principle study. Journal of Chemical Physics, 146(12), 124706. (doi: 10.1063/1.4979041) (PMID:28388161)

Li, G. and von Spakovsky, M. R. (2016) Modeling the nonequilibrium effects in a nonquasi-equilibrium thermodynamic cycle based on steepest entropy ascent and an isothermal-isobaric ensemble. Energy, 115(1), pp. 498-512. (doi: 10.1016/j.energy.2016.09.010)

Li, G. and von Spakovsky, M. R. (2016) Generalized thermodynamic relations for a system experiencing heat and mass diffusion in the far-from-equilibrium realm based on steepest entropy ascent. Physical Review E, 94(3), 032117. (doi: 10.1103/PhysRevE.94.032117) (PMID:27739710)

Li, G. and von Spakovsky, M. R. (2016) Steepest-entropy-ascent quantum thermodynamic modeling of the relaxation process of isolated chemically reactive systems using density of states and the concept of hypoequilibrium state. Physical Review E, 93(1), 012137. (doi: 10.1103/PhysRevE.93.012137) (PMID:26871054)

Li, G. , Al-Abbasi, O. and von Spakovsky, M. R. (2014) Atomistic-level non-equilibrium model for chemically reactive systems based on steepest-entropy-ascent quantum thermodynamics. Journal of Physics: Conference Series, 538, 012013. (doi: 10.1088/1742-6596/538/1/012013)

Conference or Workshop Item

Li, G. and Monroe, C. W. (2019) Modeling Transport Properties in Concentrated Systems Considering Species Association. International Battery Association 2019 (IBA 2019), La Jolla, CA, USA, 03-08 Mar 2019. (doi: 10.1149/MA2019-03/2/267)

Li, G. and Monroe, C. W. (2018) Electrochemomechanics in Doped Garnet Lithium-Ion Conductors. 233rd ECS Meeting, Seattle, WA, USA, 13-18 May 2018. (doi: 10.1149/MA2018-01/1/5)

Conference Proceedings

Li, G. and von Spakovsky, M.R. (2016) Non-equilibrium Framework Applicable at all Spatial and Temporal Scales Using Steepest-entropy-ascent Quantum Thermodynamics. In: 4th International Conference on Computational Methods for Thermal Problems (THERMACOMP 2016), Atlanta, GA, USA, 06-08 Jul 2016,

Li, G. and von Spakovsky, M. R. (2016) Application of steepest-entropy-ascent quantum thermodynamics to predicting heat and mass diffusion from the atomistic up to the macroscopic level. In: ASME 2015 International Mechanical Engineering Congress and Exposition: Volume 6B: Energy, Houston, Texas, USA, November 13–19 2015, IMECE2015-53581. ISBN 9780791857441 (doi: 10.1115/IMECE2015-53581)

Li, G. and von Spakovsky, M. R. (2016) Study of the transient behavior and microstructure degradation of a SOFC cathode using an oxygen reduction model based on steepest-entropy-ascent quantum thermodynamics. In: ASME 2015 International Mechanical Engineering Congress and Exposition: Volume 6B: Energy, Houston, Texas, USA, November 13–19 2015, IMECE2015-53726. ISBN 9780791857441 (doi: 10.1115/IMECE2015-53726)

This list was generated on Tue May 24 15:11:03 2022 BST.

Supervision

I am looking for students interested in applying physics-based models to solve practical problems in energy storage systems, e.g., batteries. Students can also collaborate with experimentists in battery testing and/or material characterization. 

Students with a background in engineering, physics, applied mathematics, material science, or computational science are welcomed. Good Coding ability is highly preferred.

Current areas of interest include:

  1. physics-based and/or statistics-based models for battery state-of-charge and state-of-health estimation;
  2. modelling battery failure using continuum mechanics and electrochemistry;
  3. developing new algorithms, reduced-order models and computational techniques for battery simulation; and
  4. modelling materials in energy systems using kinetic theory, Monte Carlo simulation, molecular dynamics, and density functional theory.

Potential projects include:

  1. thermal management of EV batteries;
  2. fast-charging of batteries;
  3. battery management in EVs or cyber-physics systems; and
  4. modelling acoustic/electrical testing of batteries.

If you would like to discuss about PhD opportunities, please feel free to contact me (Guanchen.Li@glasgow.ac.uk) with an academic Curriculum Vitae (CV).