About

In the field of aeronautical engineering, I work on fluid dynamics, especially the aerodynamics and structures of aeroplanes. My research focuses on both gas and liquid flows at different scales, from the macroscopic (visible to the naked eye) to microscopic and beyond to nanoscopic scales.

I have expertise in non-equilibrium/rarefied gas dynamics (RGD), heat and mass transfer (HMT), droplet evaporation and condensation (DEC), two-phase flows in porous media, natural convection of Newtonian/non-Newtonian fluids, and phase change materials (PCM)-based energy storage. More recently, my interests shift towards the AI/ML powered computing insights into multiscale modelling and simulations of low carbon combustion (e.g. maritime engine and aero-engine) and sustainable alternative fuels (e.g. SAF). My computational approaches include molecular dynamics (MD) simulations, kinetic theory modelling, lattice Boltzmann method (LBM), and conventional computational fluid dynamics (CFD).

My research team welcomes visiting researchers and accepts PhD students to join our AI for FLow, heat and energY (AI4FLY) group at the University of Derby.

Research interests

Fluid mechanics and heat/mass transfer:

• Non-equilibrium/rarefied gas flow (RGD)
• Droplet heating and evaporation (DHE)
• Natural convection of Newtonian/non-Newtonian fluids
• Multiphase flow in porous media
• Renewable energies (e.g. polar/wind energy)
• Energy conversion and management
• Alternative fuels (e.g. NH3, H2, CH4, and their blends)

Computational approaches include:

• Computational fluid dynamics (CFD)
• Kinetic theory modelling
• Lattice Boltzmann method (LBM)
• Molecular dynamics (MD) simulations

Recent publications

(2027)

1. Y. Cao, X. Wang, X. Feng, J. Cui, X. Yang, J. Xie. High thermal conductivity of epoxy-based composites with 3D porous boron nitride skeleton via sucrose template method. Composites Part A 212, 110281 (2027). https://doi.org/10.1016/j.compositesa.2026.110281.

(2026)

1. K. Song, X. Zhou, C. Yang, J. Xie, S. Kim, Z. Cheng. Biomass-assisted regulation of melting-decomposition behavior during waste-derived PET pyrolysis: A low-cost strategy for improving thermochemical conversion stability. Journal of Environmental Chemical Engineering 14, 125355 (2026). https://doi.org/10.1016/j.jece.2026.125355.
2. H. Zhang, J. Cui, J. Chen, J. Xie, X. Yang. Experimental and numerical study on heat storage and radial temperature uniformity of cascaded erythritol packed-bed storage systems. Journal of Energy Storage 178, 123609 (2026). https://doi.org/10.1016/j.est.2026.123609.
3. J. Cui, X. Yang, Z. Zhuang, X. Wang, J. Xie. Thermal energy utilization grade improvement and performance optimization of isobaric adiabatic compressed air energy storage systems. Renewable Energy 277, 126521 (2026). https://doi.org/10.1016/j.renene.2026.126521.
4. C. Ji, X. Yang, H. Xu, Z. Guo, T. Zhang, J. Xie*. Interfacial diffusion behaviors of ZnO nanoparticles in metal Fe for high-temperature systems: a molecular dynamics study. Journal of Thermal Analysis and Calorimetry 151, 11355-11368 (2026). https://doi.org/10.1007/s10973-026-15891-9.
5. S. Wang, J. Chen, C. Hu, Y. Wang, Z. Xu, X. Liu, J. Xie, L. Xing, P. Zhu, F. Yang, Z. Zhang, Z. Wu. Neural network-driven multi-objective optimization for solid-state hydrogen sources dead-ended proton exchange membrane fuel cell power systems. Energy and AI 24, 100767. https://doi.org/10.1016/j.egyai.2026.100767.
6. J. Chen, X. Yang, Z. Zhang, C. Wang, T. Zhang, J. Xie. Experimental and numerical study on performance enhancement of calcium-based packed bed reactors: Entropy generation analysis and multi-strategy optimization. Energy Conversion and Management 354, 121282 (2026). https://doi.org/10.1016/j.enconman.2026.121282.
7. J. Cui, X. Yang, P. Wang, J. Lai, J. Xie. An advanced thermal storage integration framework for flexibilization of thermal power units: feasibility analysis and multi-objective optimization. Energy 353, 141015 (2026). https://doi.org/10.1016/j.energy.2026.141015.
8. J. Cui, X. Yang, Z. Yang, W. Liang, J. Xie. Design optimization and development of an explainable multi-objective optimization framework: A-CAES system integrated with advanced thermal energy storage. Energy Conversion and Management 352, 121095 (2026). https://doi.org/10.1016/j.enconman.2026.121095.
9. A. Shateri, Z. Yang, L. Xing, Y. Yan, Z. Wu, J. Xie*. An extrapolative machine learning framework for forecasting nitrogen oxide mitigation in alcohol enhanced ammonia-methane blends. Energy and AI 24, 100705 (2026). https://doi.org/10.1016/j.egyai.2026.100705.
10. Yang, H. Xu, C. Ji, W. Liang, J. Xie. Expanded graphite reinforced flexible microencapsulated phase change composites for efficient thermal management. Journal of Energy Storage 145, 119913 (2026). https://doi.org/10.1016/j.est.2025.119913.
11. Shateri, Z. Yang, N. Sherkat, W. Song, J. Xie*. Data-driven discovery of NOx suppression mechanisms in ammonia–methane combustion via ReaxFF and ensemble learning. Chemical Engineering Science 321, 122812 (2026). https://doi.org/10.1016/j.ces.2025.122812.
12. Huo, X. Yang, W. Liang, J. Xie, M. Yang, Multi-objective optimization design of asymmetric sinusoidal wavy microchannel heatsink with elliptical microcolumns based on hybrid neural network. International Journal of Thermal Sciences 220, 110382 (2026). https://doi.org/10.1016/j.ijthermalsci.2025.110382.
13. Ji, X.M. Yang, H. Xu, J. Lai, J. Xie*. Advances in Molten Salt-based Nanofluids: Thermal Property Enhancement and Applications in CSP and Power Systems. Renewable and Sustainable Energy Reviews 226, 116360 (2026). https://doi.org/10.1016/j.rser.2025.116360.
14. Onwuegbu, Z. Yang, J. Xie, W. Song. Numerical study of shear stripping of a liquid drop under shock wave loading. Chinese Journal of Aeronautics 39, 103925 (2026). https://doi.org/10.1016/j.cja.2025.103925.
15. Yang and W. Liang and H. Xu and J. Chen and J. Xie*. Multi-field coupling analysis of thermochemical energy storage reactor with prepared Mg(OH)2/expanded graphite composites. International Journal of Heat and Mass Transfer 255, 127873 (2026). https://doi.org/10.1016/j.ijheatmasstransfer.2025.127873.
16. Shateri, Z. Yang, N. Sherkat, J. Xie*. Alcohol additives to enhance ammonia-methane combustion efficiency and reduce emissions: A reactive force field analysis. Fuel 405, 136565 (2026). https://doi.org/10.1016/j.fuel.2025.136565.
17. Cui, X.M. Yang, H. Xu, Z. Zhuang, J. Xie*. Multi-scale investigations of packed bed latent thermal energy storage systems: perspectives from material selection to applications. International Journal of Heat and Mass Transfer 255, 127773 (2026). https://doi.org/10.1016/j.ijheatmasstransfer.2025.127773.

(2025)

1. Cui, X. Yang, J. Chen, P. Wang, J. Xie*. Experimental analysis and comprehensive performance improvement research on composite phase change materials packed bed thermal storage systems. Energy 337, 138728 (2025). https://doi.org/10.1016/j.energy.2025.138728.
2. Chen, X. Yang, Y.Q. Huo, W. Liang, H. Li, J. Xie. Numerical investigation of calcium hydroxide/calcium oxide thermochemical reactions in shell-tube reactors: exothermic process analysis and solar-thermochemical combined cooling, heating, and power optimization. Energy Conversion and Management 346 120502 (2025). https://doi.org/10.1016/j.enconman.2025.120502.
3. Ji, X.M. Yang, H. Xu, Z. Yang, J. Xie*. Molecular insight into further enhancement of thermal conductivity and heat capacity of K2CO3-SiO2 molten salt nanofluids by oxygen vacancy defects in SiO2 nanoparticles. International Journal of Heat and Mass Transfer 247, 127148 (2025). https://doi.org/10.1016/j.ijheatmasstransfer.2025.127148.
4. S. Onwuegbu, Z. Yang, J. Xie. Numerical Study of the Late-Stage Flow Features and Stripping in Shock Liquid Drop Interaction. Aerospace 12, 648 (2025). https://doi.org/10.3390/aerospace12080648.
5. J. Chen, X. Yang, J. Cui, Y. Huo, J. Xie. Performance optimization and entropy-TOPSIS evaluation of a thermochemical solar thermal power generation system based on packed bed reactor exothermic characteristics. Energy Conversion and Management 336, 119891 (2025). https://doi.org/10.1016/j.enconman.2025.119891.
6. A. Shateri, Z. Yang, N. Sherkat, J. Xie*. A hybrid molecular dynamics–machine learning framework for boiling point estimation in aromatic fluids. Case Studies in Thermal Engineering 73, 106684 (2025). https://doi.org/10.1016/j.csite.2025.106684.
7. X. Yang, H. Chi, Y. Cao, J. Cui, C. Ji, J. Xie*. Cotton cloth-derived porous carbon skeleton with graphite layer for enhancing the thermal conductivity of energy storage phase change materials. Journal of Energy Storage 121, 116561 (2025). https://doi.org/10.1016/j.est.2025.116561.
8. A. Shateri, Zhiyin Yang, Yun Liu. J. Xie*. Data-driven optimization of turbulent kinetic energy and tumble-y in combustion engines: A comparative study of machine learning models. Fuel 389, 134590 (2025). https://doi.org/10.1016/j.fuel.2025.134590.
9. Cui, X. Yang, J. Chen, H. Zhang, J. Xie*. High-performance and low-cost packed bed latent thermal energy storage system based on spray technology. Journal of Energy Storage 119, 116333 (2025). https://doi.org/10.1016/j.est.2025.116333.
10. Cui, X.M. Yang, H. Zhang, J. Chen, J. Xie*. Analysis for temperature stability and thermal transport performance of cascaded phase change packed bed thermal energy storage system under unstable factors. Energy 316, 134536 (2025). https://doi.org/10.1016/j.energy.2025.134536.
11. Shateri, Z. Yang, J. Xie*. Machine learning-based prediction of species mass fraction and flame characteristics in partially premixed turbulent jet flame. Physics of Fluids 37, 075219 (2025). https://doi.org/10.1063/5.0277024.
12. Ji, X. Yang, H.Q. Xu, H. Zhao, J. Xie*. Estimation of power and economic performance of CSP system under different heat transfer and storage fluids using artificial neural networks. Solar Energy Materials and Solar Cells 282,113428 (2025). https://doi.org/10.1016/j.solmat.2025.113428.
13. M. Yang, T.F. Yu, X.Z. Zhang, Y.F. Ma, J. Xie. Coarse-grained modeling and multi-properties simulation of amorphous polyethylene. Computational Materials Science 249, 113670 (2025). https://doi.org/10.1016/j.commatsci.2025.113670.
14. Shateri, Z. Yang, J. Xie*. Machine Learning-Based Molecular Dynamics Studies on Predicting Thermophysical Properties of Ethanol-Octane Blends. Energy & Fuels 39, 1070-1090 (2025). https://doi.org/10.1021/acs.energyfuels.4c05653.
15. Yang, H. Su, W. Liang, J. Chen, J. Xie. Numerical study of Mg(OH)2/MgO thermochemical heat storage reactor coupled with parabolic dish solar system. Applied Thermal Engineering 261, 125128 (2025). https://doi.org/10.1016/j.applthermaleng.2024.125128.
16. M. Yang, Y. Ma, C. Ji, Z. Guo, J. Xie*. Effect of hydrogen constraints on predicting thermal conductivity of hydrocarbons in molecular dynamics simulation. Fluid Phase Equilibria 588, 114230 (2025). https://doi.org/10.1016/j.fluid.2024.114230.

(2024)

1. Chen, X. Yang, H. Su, J. Cui, J. Xie. Evaluating and enhancing heat storage in a Ca(OH)2/CaO shell-tube reactor: A numerical study on key factors and performance optimization. Energy 309, 133161 (2024). https://doi.org/10.1016/j.energy.2024.133161.
2. X. Chen, Y. Liu, H. Que, L. Zeng, L. Qi, T. Li, J. Xie. Analysis on the effect of novel topological optimization fin structures considering eccentricity on the heat storage and release characteristics of shell and tube phase change heat accumulator. Journal of Energy Storage 97, 112880 (2024). https://doi.org/10.1016/j.est.2024.112880.
3. O. Emmerson, A. Shateri, J. Xie*. Use of ferrofluids for process systems in pipe isolations. Heliyon 10, e35221 (2024). https://doi.org/10.1016/j.heliyon.2024.e35221.
4. Cui, X. Yang, J. Chen, H. Su, J. Xie. Multi-perspective analysis of adiabatic compressed air energy storage system with cascaded packed bed latent heat storage under variable conditions. Energy 305, 132373 (2024). https://doi.org/10.1016/j.energy.2024.132373.
5. Ding, Y.M. Lei, J. Xie. Chaos synchronization of two coupled map lattice systems using safe reinforcement learning. Chaos, Solitons and Fractals 186, 115241 (2024). https://doi.org/10.1016/j.chaos.2024.115241.
6. Ji, X. Yang, Y. Ma, H. Chi, J. Xie*. Molecular dynamics study on thermophysical properties of K₂CO₃ molten salt-based SiO₂ nanofluids using Buckingham potential framework. Journal of Molecular Liquids 407, 125231 (2024). https://doi.org/10.1016/j.molliq.2024.125231.
7. Chen, H. Su, H. Sun, J. Xie, X. Yang. Kinetic investigation and numerical simulation of reactor with prepared diatomite/CaCO₃ for high-temperature thermal energy storage application. Journal of Energy Storage 96, 112694 (2024). https://doi.org/10.1016/j.est.2024.112694.
8. Ji, X.M. Yang, Y.F. Ma, Z.J. Guo, J. Xie*. Enhanced heat transfer and thermal storage performance of molten K₂CO₃ by ZnO nanoparticles: A molecular dynamics study. Journal of Molecular Liquids 407, 125203 (2024). https://doi.org/10.1016/j.molliq.2024.125203.
9. Onwuegbu, Z. Yang, J. Xie. Numerical Simulation of Interaction between a Planar Shock Wave and a Cylindrical Bubble. Modelling 5, 483-501 (2024). https://doi.org/10.3390/modelling5020026.
10. Shateri, Z. Yang, J. Xie*. Utilizing artificial intelligence to identify an optimal machine learning model for predicting fuel consumption in diesel engines. Energy and AI 16, 100360 (2024). https://doi.org/10.1016/j.egyai.2024.100360.
11. Yang, Z. Guo, C. Ji, Y. Ma, J. Xie*. Molecular dynamics study on interfacial diffusion characterization of nanoparticle TiO2 and metal Fe in high-temperature molten salt thermal energy storage system. Solar Energy Materials and Solar Cells 271, 112854 (2024). https://doi.org/10.1016/j.solmat.2024.112854.
12. M. Yang, H. Zhao, M. Zhang, C. Ji, J. Xie*. Performance comparison of CSP system with different heat transfer and storage fluids at multi-time scales by means of system advisor model. Solar Energy Materials and Solar Cells 269, 112765 (2024). https://doi.org/10.1016/j.solmat.2024.112765.
13. Yang, Yi Li, Y. Ma, J. Cui, J. Xie*. Optimization of thermal storage performance of cascaded multi-PCMs and carbon foam energy storage system based on GPR-PSO algorithm. Journal of Energy Storage 83, 110626 (2024). https://doi.org/10.1016/j.est.2024.110626.
14. Xie*. Approaches for describing processes of fuel droplet heating and evaporation in combustion engines. Fuel 360, 130465 (2024). https://doi.org/10.1016/j.fuel.2023.130465.
15. X. Chen, Y. Liu, L. Zeng, W. Cui, J. Xie*. A novel topology optimization of fin structure in shell-tube phase change accumulator considering the double objective functions and natural convection. Journal of Energy Storage 80, 110327 (2024). https://doi.org/10.1016/j.est.2023.110327.
16. M. Yang, J Cui, Y Li, H Chi, J. Xie. Multi-factor analysis and optimization design of a cascaded packed-bed thermal storage system coupled with adiabatic compressed air energy storage. Energy Conversion and Management 300, 117961 (2024). https://doi.org/10.1016/j.enconman.2023.117961.

(2023)

1. Yang, Z. Hu, C. Li, H. Zhao, J. Xie*. Preparation and thermal energy storage properties of shaped composite phase change materials with highly aligned honeycomb BN aerogel by freeze-vacuum drying under the control of a temperature gradient. Journal of Energy Storage 72, 108256 (2023). https://doi.org/10.1016/j.est.2023.108256.
2. M. Yang, C. Li, Y. Ma, H. Chi, Z. Hu, J. Xie*. High thermal conductivity of porous graphite/paraffin composite phase change material with 3D porous graphite foam. Chemical Engineering Journal 473, 145364 (2023). https://doi.org/10.1016/j.cej.2023.145364.
3. Yang, Q. Liu, Y. Ma, J. Xie, B.Y. Cao. Molecular dynamics study on the kinematic viscosity, density and structure of fuel blends containing n-decane and biofuel compound of ethyl decanoate or ethyl dodecanoate. Journal of Molecular Liquids 379, 121680 (2023). https://doi.org/10.1016/j.molliq.2023.121680.
4. N. Zhang, O. Wood, Z. Yang, J. Xie*. AI-Guided Computing Insights into a Thermostat Monitoring Neonatal Intensive Care Unit (NICU). Sensors 23, 4492 (2023). https://doi.org/10.3390/s23094492.

Membership of professional bodies

• American Society of Mechanical Engineers (ASME)
• Institution of Mechanical Engineers (IMechE)

Qualifications

• 2013, PhD Heat and Mass Transfer, University of Brighton
• 2009, MSc Computational Fluid Dynamics, Northwest Polytechnic University (NPU)
• 2006, BSc Aeronautical Engineering, NPU

Recent conferences

• Shateri, Z. Yang, N. Sherkat, J. Xie*. Investigations of NOx reduction in ammonia-methane combustion: a combined ReaxFF molecular dynamics and machine learning approach. The 2^nd International Conference on Carbon Neutrality (ICCN-2025), September 5-7, 2025, Shanghai, China.
• Shateri, Z. Yang, J. Xie*. Exploring the potential of machine learning in combustion engine optimisation. The 18^th UK Heat Transfer Conference (UKHTC2024), September 9-11, 2024, Birmingham, UK.
• Shateri, Z. Yang, J. Xie*. Physics-informed neural network (PINN) algorithm and optimisation of combustion process. The 3^rd Asian Conference on Thermal Science, June 24-27, 2024, Shanghai, China.
• Wood, J. Xie*. NUMEIRCAL INVESTIGATIONS of CLIMATE MONITORING in A NEONATAL INTENSIVE CARE UNIT (NICU). The 17^th International Heat Transfer Conference, August 14-18, 2023, Cape Town, South Africa. DOI: 10.1615/IHTC17.330-210.
• Xie*. Assessment of molecular mean free paths and its application in micro/nanochannel gas flows. The 32^nd International Symposium on Rarefied Gas Dynamics, July 4-8, 2022, Seoul, South Korea.

In the media

• The Scientists, Engineers and Technologists (SET) for BRITAIN, Exhibition in the Engineering Section, the House of Commons (Parliament), 12th March 2012, London

Teaching responsibilities

Undergraduate modules:

• Computational Fluid Dynamics (CFD), Level 6/Year 3 including degree apprentices
• Finite Element Analysis (FEA), Level 5/Year 2 for degree apprentices
• Fluids and Thermodynamics, Level 5/Year 2
• Materials and Manufacturing Processes, Level 4/Year for degree apprentices

Graduate modules:

• Engineering Data and Analytics: AI and Machine Learning, Level 7/Master

Additional interests and activities

Hiking, Swimming, Badminton, and Football fan.