Nanoencapsulated phase change materials (nePCMs) are nowadays under research for thermal energy storage purposes. NePCMs are composed of a phase change core surrounded by a shell that confines the core when molten. One of the main concerns of nePCMs when subjected to thermal processes is the mechanical failure of the passivation shell initially present in commercial metallic nanoparticles. In order to overcome this issue, multi-coated nePCMs, based on the synthesis of an additional coating by atomic layer deposition, appear to be as a candidate solution. With the objective of studying the influence of the composition and thickness of the additional nePCM shells on their probability of failure, a numerical tool combining a thermomechanical finite element model with phase change and Monte Carlo algorithms is developed. This tool also allows including the uncertainty of material and geometrical properties into the numerical analysis to account for their influence in the mechanical performance of nePCMs. In the present work, the mechanical reliability of SiO₂ and Al₂O₃ coatings on Sn@SnO_x nanoparticles is assessed by considering both deterministic and probabilistic failure criteria and Al₂O₃ coatings appear to have a better mechanical performance than their SiO₂ counterparts.

Nanoencapsulated phase-change materials (nePCMs) are investigated for enhancing thermal energy storage. However, the shell of these nanocapsules may fail due to stress developed during thermal processes, leading to melting enthalpy loss. To overcome this problem, SiO₂ and Al₂O₃ coatings on Sn nanoparticles are synthesized by atomic layer deposition (ALD). To study the influence of shell thickness and composition on the probability of failure (POF) of nePCM shells in single- and multicoated nePCMs, a probabilistic numerical tool combining Monte Carlo techniques and a thermomechanical finite-element model with phase change are used. The uncertainties of the material and geometrical properties of nePCMs are included in the analysis. Both deterministic and probabilistic failure criteria are taken into account to consider the effect of dispersion on tensile strength. The results indicate that multicoated nePCMs enhance thermomechanical performance in relation to their single-coated counterparts. Both the numerical simulations and experiments confirm that the POF of nePCM shells and melting enthalpy loss in multicoated nePCMs lower with shell thickness. The results after 50 ALD cycles indicate that Al₂O₃ coatings exhibit better performance because a POF of 1.66% is obtained with 1.1% enthalpy loss, while the POF for SiO₂ is 72.38% with 3.5% enthalpy loss.