Modeling & Simulation Software for Li-ion Batteries

Modern lithium-ion batteries face demanding requirements: higher energy density, faster charging, improved safety, and longer lifespan. At the same time, challenges such as degradation, heat generation, lithium plating, and innovative concepts like solid-state batteries add significant complexity to the development process.

The BatteryDict module of GeoDict provides a comprehensive digital solution for battery research and development. It enables the modeling of complete battery cells and the simulation of electrochemical cycling for in-depth analysis, either through detailed, fully-resolved 3D simulations or fast homogenized approaches. Beyond lithium-ion systems, the same advanced technology also supports realistic modeling and simulation of sodium-ion batteries. 

Two powerful solvers are available for the simulations:

• The LIR solver developed by Math2Market
• The BEST solver (Battery and Electrochemistry Simulation Tool) from the Fraunhofer Institute for Industrial Mathematics (ITWM)

BatteryDict enables reliable prediction and optimization of battery performance, safety, and lifespan. This results in shorter development times, lower costs, and accelerated innovation in battery technology.

Electrochemical and Thermal Analyses

• Creation of charge/discharge curves under user-defined boundary conditions (constant current, constant voltage, power density, charge rates).
• Comparison of the simulated cell potential with the open-circuit voltage to identify overpotential components and evaluate overall battery performance.
• Calculation of the heat output generated during cycling as a result of overpotentials.
• Observation of relaxation processes and Li-ion concentration changes within particles during charging.

Material and Degradation Studies

• Analysis of mechanical stresses and strains during intercalation to predict degradation.
• Estimation of the risk of lithium plating under various charging conditions.
• Execution of half-cell studies to investigate the electrochemical behavior of individual cathode and anode materials.

Structural analysis and modeling

• Identification and visualization of inactive areas in the cell structure.
• Determination of the connected capacity of battery structures.
• Modeling of solid-state batteries.

Create digital battery models with precise control over:

• Anode material
• Cathode material
• Separator
• Lithium reservoir as counter electrode
• Current collectors (anode and cathode side)
• Separation distance and orientation of electrodes

Evaluate digital battery models to:

• Identify connected and unconnected materials
• Display volume fractions in anode and cathode
• Verify correct cathode / anode balancing
• Reduce unconnected material for improved energy density

Simulate battery charging and discharging with multiple solver options. All solvers support concentration-dependent parameters in the electrolyte and active materials.

• LIR solver: Fast and remarkably memory-efficient for large structures.
• BESTmicro: Feature-rich solver featuring latest academic innovations, such as electrochemical impedance spectroscopy (EIS).

• BESTmeso: enhanced P2D Newman-model using calculated effective parameters directly from the microstructure
• Calculate all effective parameters for your customized P2D Newman-models easily from the microstructure
• Faster execution with lower memory requirements
• Ideal for large structures where local variations are less critical

Simulate lithiation and delithiation of electrodes in half-cell configurations.

The BatteryDict-Degradation Add-on:

• Uses the FeelMath mechanical solver
• Computes stress and strain in a battery structure due to lithium intercalation
• Visualizes volume changes during cycling
• Identifies stress and strain maxima
• Help optimize electrode structures
• Help reduce mechanical degradation
• Enhances expected electrode lifetime