Batteries

Module- and pack-level mechanical design of lithium-ion batteries in electric vehicles is a primary driver of swelling-induced stack pressure and spatially varying ageing. Current practice remains largely empirical or data-driven and configuration-specific, limiting the ability to predict how design changes translate into local pressure heterogeneity and state-of-health (SOH) loss. This motivates a compact chemo-mechanical model that maps packaging boundary conditions to pressure, swelling, and SOH evolution with few interpretable parameters. This study introduces finite-element-ready constitutive laws that couple reversible and irreversible swelling to SOH and through-thickness pressure, covering three boundary cases reported in literature: constant pressure, thickness clamp after an initial preload, and flexible support. Parameters are identified from different published datasets, and the model is validated against independent constraint scenarios. Good quantitative agreement is shown with averaged RMSE of 1.16% for SOH and 0.16 [MPa] for pressure evolution. Variance-based sensitivity analysis shows SOH uncertainty dominated by the damage-law parameters of the proposed constitutive relationship, whereas pressure evolution is primarily controlled by irreversible swelling and the non-linear through-thickness stiffness, indicating calibration priorities for engineering design studies. The framework is intended for fast comparative analyses of individual cells under a controlled environment. Further extensions, including SOC-dependent mechanics, refined hysteresis, temperature, and C-rate variations require dedicated datasets and are left for future work.

The increasing demand for sustainable battery technologies requires effective recycling strategies for end-of-life lithium-ion battery cathodes. In this study, virtual materials testing, a well-established framework for modeling conventionally manufactured NMC-based cathodes, is applied to partially recycled cathodes. To this end, virtual cathodes consisting of mixtures of pristine and recycled NMC particles are utilized to systematically analyze structure–property relationships depending on mixing ratios and different spatial arrangement strategies. For this purpose, a stochastic 3D model is developed that is capable of generating virtual cathodes with arbitrary volume fractions of active materials and mixing ratios of pristine and recycled NMC particles. Particularly, the stochastic 3D model can mimic the different size distributions of pristine and recycled particles that are observed in image data. Additionally, the model allows the structuring of pristine and recycled NMC either uniformly mixed or layer-wise arranged, mimicking single- and dual-layer cathodes. Subsequently, a systematic computational analysis is conducted to assess the influence of increasing active material ratios of recycled particles, ranging from 0 % to 100 %, while maintaining a constant overall active material volume fraction. The impact of particle mixing on cathode performance is evaluated by examining transport-relevant geometrical descriptors and effective properties, such as geodesic tortuosity, specific surface area, and tortuosity factor.

Silicon (Si) has attracted extensive attention as a promising anode material for next-generation lithium-ion batteries (LIBs) due to its ultra-high theoretical capacity, low lithiation potential, and economic advantages. However, drastic volume expansion during cycling and slow reaction kinetics severely compromise its structural stability and practical application. Recently, two-dimensional (2D) MXenes have been explored as effective functional components in Si-based electrodes because of their excellent electrical conductivity, high specific surface area, adjustable surface terminations, and mechanical robustness. When integrated with Si, MXenes serve as conductive matrices that alleviate volumetric stress, enhance charge transport, and accelerate electron/ion diffusion. Consequently, Si/MXene nanocomposites (NCs) exhibit significantly improved lithium (Li) storage performance. This review outlines recent advances in Si/MXene NCs, covering fabrication strategies, structural engineering, and various configurations, including particulate materials, three-dimensional (3D) architectures, films, and fibrous systems, and establishes the relationship between structural design and electrochemical behavior. Remaining challenges and prospective research directions are also discussed to guide the development of high-energy-density LIB anodes.