Alok Tiwari

Summary & Research Interest

Highly motivated and accomplished Postdoctoral Researcher with a strong background in physics-informed advanced computational modelling (Discrete Element Method, Computational Fluid Dynamics, Electrochemical Modelling) of Lithium-ion Batteries Electrode Manufacturing. Possessing a proven track record in interdisciplinary research, evidenced by publications in peer-reviewed journals, presentations at international conferences, active collaboration with leading institutions like the University of Oxford, and involvement in projects funded by prestigious bodies like the Faraday Institution.

Seeking to leverage expertise in particle technology and electrode manufacturing, focusing on the development of next-generation electrodes for lithium-ion and solid-state batteries. My vision is to advance both fundamental understanding and practical applications in the field through collaboration with both industries and academia.

Academic Journey

Doctorate (2025)

Indian Institute of Technology (IIT) Bombay, India Granular Physics
Post Graduation (2019)

Indian Institute of Technology (IIT) Bombay, India Energy Science and Engineering
Graduation (2016)

Banaras Hindu University, India Mathematics and Physics

Key Research Projects

My research is deeply rooted in a multi-scale approach, bridging fundamentals of particle science and granular mechanics with real-world applications in energy storage. I investigate the particle-level behaviour of a granular system to understand the physics behind its bulk behaviour, particularly within battery technologies. Each project below demonstrates my ability to blend theoretical understanding, advanced computational modelling, and problem-solving to improve the physical understanding and performance of complex systems.

Understanding the Physics Behind the Calendering Behaviour of a Lithium-ion Battery Electrode

Postdoctoral Researcher | The University of Sheffield | Jan 2025 - Present

Funding: This project is part of a larger initiative funded by the Faraday Institution, UK.

#LithiumIonBatteries #DEM #Calendering #ElectrodeManufacturing

Objective: To investigate the compression behaviour of battery electrodes using a combined Discrete Element Method (DEM) and experimental approach.
Approach: Conducted uniaxial compression experiments and corresponding DEM simulations to explain the evolution of electrode microstructure, focusing on the arrangement and deformation of constituent particles under pressure.
Contribution: Successfully demonstrated that an empirical equation, traditionally applied to pharmaceutical powders, accurately models battery electrode compression. This work provides critical insights into optimizing electrode manufacturing by understanding particle packing and deformation.

Role of Calendering Temperature on Mechanical and Electrochemical Properties of LiB Electrode using DEM

Postdoctoral Researcher | The University of Sheffield (in collaboration with The University of Oxford) | Nov 2024 - Present

#ElectrochemicalModelling #DEM #BatteryDesign

Objective: To develop a comprehensive simulation model to explore the influence of calendering machine temperature and pressure on the microstructure and subsequent electrochemical performance, specifically by analysing the behaviour of active material particles within lithium-ion battery electrodes.
Approach: Implemented the EEPA model for polydisperse spherical active material particles within DEM, coupled with a rigid bond model for the CBD phase, and integrated a heat conduction model to simulate particle-level thermal effects. Utilised COMSOL for electrochemical performance evaluation, demonstrating interdisciplinary modelling capabilities.
Contribution: Analysed the effect of temperature on the microstructural evolution of an electrode and its implications for battery performance, offering better control over the calendering parameters to design next-gen electrodes.

The effect of the ratio of tangential to normal spring stiffness on the bulk-behaviour of a vibrated bed.

PhD. Project | IIT Bombay | June 2023 - Mar 2024

#GranularPhysics #Simulation #MaterialScience

Objective: Investigated the role of the ratio of tangential to normal spring stiffness of the linear spring dashpot on the granular temperature, stresses and volume fraction of a vertically vibrated bed.
Approach: DEM simulations are performed with the linear spring dashpot with varying stiffness ratio. The effect of the ratio on the bulk as well as on the behaviour of individual particles is investigated.
Contribution: It is shown that the ratio of $2/7$ presents a significant difference in the bulk-behaviour of the vibrated bed in comparison to any other value in the physical regime. This work makes a significant contribution to how a simulation modelling parameter influences the bulk behaviour.

Distribution of energies in a vertically vibrated granular bed.

PhD. Project | IIT Bombay | Dec 2022 - Jan 2024

#EnergyDistribution #VibroFluidizedBeds #ParticlePhysics

Objective: Investigated the impact of interparticle friction on the micro and macroscopic behaviour of particles in vibro-fluidised beds, a process relevant to various industrial applications including the handling and mixing of granular materials in pharmaceutical and food industries.
Approach: Performed DEM simulations for particles of varying friction in a vertically vibrated bed to obtain the distribution of energies within the bed. Exchange of energies within the modes is quantified by tracking individual contacts.
Contribution: Demonstrated that the equipartition of energies among the translational and rotational modes does not hold for any real granular system. This work gives a fundamental understanding of how vibrational energy is distributed among different modes.

Impact of Vibrational Energy on the Deagglomeration of Cohesive Granular Particles.

PhD. Project | IIT Bombay | Sep 2021 - Nov 2023

#Deagglomeration #CohesiveParticles #PowderProcessing

Objective: Modelled vibration-induced deagglomeration as a rate kinetic process at the particle level, crucial for understanding and controlling powder processing in battery manufacturing, especially for fine active materials.
Approach: Studied the temporal evolution of cluster size, consisting of multiple interacting particles, under vertical vibrations to determine rate constants governing their breakup.
Contribution: Established deagglomeration as a first-order process and demonstrated an exponential relationship between the rate constant and agglomerate strength/input vibrational energy, providing mechanistic insights into how external energy can break inter-particle bonds.

DEM Study on the Mixing of Dumbbell Shaped Particles in a Cylindrical Container.

PhD. Project | IIT Bombay | Sep 2021 - Oct 2022

#NonSphericalParticles #Mixing #DEMSimulation

Objective: Investigated the mixing and segregation behavior of non-spherical particles (dumbbell-shaped) under vibration, highly relevant to the uniform distribution of novel, non-spherical electrode materials and additives.
Approach: Quantified granular temperature, coordination number, collision frequency, and velocity distribution by tracking individual non-spherical particles for varying aspect ratios and vibrational amplitudes.
Contribution: Revealed that fluctuating kinetic energies increases with energy input primarily for lower aspect ratio particles, and coordination number correlates with aspect ratio, providing insights into how particle shape influences mixing efficiency in a granular system consisting of non-spherical particles.

Morphological Analysis of Cohesive Particles Generated Using DEM.

PhD. Project | IIT Bombay | Jan 2019 - Sep 2021

#AgglomerateMorphology #CohesiveDEM #ParticleInteractions

Objective: Explored the influence of interparticle cohesiveness on the morphology of agglomerates, critical for controlling the properties and performance of active materials in battery electrodes.
Approach: Generated agglomerates of varying sizes via DEM, explicitly modelling interparticle contacts using a linear spring-dashpot model to simulate cohesive forces between particles.
Contribution: Quantified morphological parameters (porosity, coordination number, fractal dimension) and demonstrated their increase with cohesiveness, enhancing understanding of how particle interactions influence the final structure of a cohesive system.

CFD Analysis of a Custom-Built Atomic Layer Deposition (ALD) Reactor.

MSc. Project | IIT Bombay | Jan 2018 - Dec 2018

#CFD #ALD #ThinFilmCoating

Objective: Simulated carrier gas behavior within an ALD reactor, a technique used for thin-film coating on individual particles to enhance their stability and performance.
Approach: Performed CFD simulations on ANSYS Fluent to determine temperature and velocity profiles of nitrogen for varying inlet flow rates, optimizing the uniform delivery of precursors to particles.
Contribution: Identified high temperature gradients and turbulence near the reactor inlet, providing valuable insights for optimizing ALD processes for particle surface modification.

Technical Skills

Programming Languages:

Python (NumPy, SciPy, Matplotlib, Pandas, Scikit-learn), MATLAB, HTML, CSS

Simulation Packages:

LAMMPS, LIGGGHTS, Altair EDEM, MFIX, Ansys FLUENT, COMSOL, OpenFOAM

Visualisation Tools:

OVITO, PARAVIEW

Other Tools & Libraries:

ImageJ, LaTeX, Origin, GNUplot

Experimental Techniques:

Cell assembly (coin, pouch, 3-electrode), INSTRON compression testing, Electrode manufacturing, Particle Image Velocimetry (PIV), X-ray Diffraction (XRD), Atomic Layer Deposition (ALD).

Awards, Grants & Achievements

Academic: Best Poster Award - ChemEng Day UK, 2025.
Academic: Received grant of £2000 from IIT Bombay to attend various national and international conferences.
Collaboration: Actively collaborating with research groups at the University of Oxford on further enhancing inter-institutional research ties.
Funding: Involved in a research project supported by the Faraday Institution, contributing to cutting-edge battery science initiatives.

Publications & Conferences

Journal Publications:

Tiwari, A., M. Bose, Breakage of an agglomerate under vibration. (To submit Physics of Fluids)
Tiwari, A., M. Bose, Understanding the role of particle friction coefficient on the equipartition and scaling of granular temperature using DEM. (To submit Physical Review Letters)
Tiwari, A., S. Ganguly, M. Bose and V. Kumaran (2025), Role of the ratio of tangential to normal stiffness coefficient on the behaviour of vibrofluidized particles, Physical Review E (Accepted).
Tiwari, A. and M. Bose, 2023. DEM simulation of dumbbell shaped particles under vertical vibration. Particulate Science and Technology, pp.1-12.
Tiwari, A. and M. Bose, 2022. Morphological analysis of nanoparticle agglomerates generated using DEM simulation. Particulate Science and Technology, 40(3), pp.373-381.
Tiwari, A., 2020. Modelling and analysis of COVID-19 epidemic in India. Journal of Safety Science and Resilience, 1(2), pp.135-140.

Conference Presentations:

Tiwari, A. et. al, 2025. Modeling the calendering process of lithium-ion battery electrodes using the Discrete Element Method, Powders and Grains, India.
Tiwari, A. and M.Bose, 2025. Modelling the breakage of a spherical agglomerate in a vertically vibrated granular bed, Powders and Grains, India.
M. Bose and A. Tiwari, 2024. Agglomeration and de-agglomeration of cohesive particles in a vertically vibrated bed, APS-DFD, USA.
Tiwari, A. and M. Bose, 2023. Numerical simulation of vibro-fluidised inelastic particles with roughness using DEM, DEM9, Germany.
Tiwari, A. and M. Bose, 2023. Rate kinetics of agglomeration and deagglomeration of nanoparticles using DEM, 11th ICMF, Japan.
Tiwari, A. and M. Bose, 2022. Impact of vibrational energy on the kinetics of deagglomeration of cohesive particles, CompFlu, India.
Tiwari, A. and M. Bose, 2020. Simulation of nano-agglomeration using the cohesive DEM algorithm, CompFlu, India.
Tiwari, A. Tomar, V. and M. Bose, 2020. Implementation of cohesive DEM to study agglomeration of nanoparticles, Third International Conference on Powder, Granule and Bulk solids: Innovations and Applications (PGBSIA), India.

Oral Talks:

Tiwari, A. and M. Bose, 2024 (Online). Kinetic theory based understanding of inelastic and rough granular gas using DEM, Mercury DPM, University of Twente, Netherlands.
Tiwari, A. and M. Bose, 2023. Temporal dynamics of the deagglomeration process of cohesive particles.