Setting the standard for machine learning in phase field prediction: a benchmark dataset and baseline metrics

Autor: Laura Hannemose Rieger, Klemen Zelič, Igor Mele, Tomaž Katrašnik, Arghya Bhowmik

Publikováno v: Scientific Data, Vol 11, Iss 1, Pp 1-10 (2024)

Abstract Phase field models are an important mesoscale method that serves as a bridge between the atomic scale and the macroscale, used for modeling complex phenomena at the microstructure level. Machine learning can be employed to accelerate these s

Externí odkaz: https://doaj.org/article/02b744979e6d4d03980e9f3890de18de

Phase separating electrode materials - chemical inductors?

Autor: Klemen Zelič, Igor Mele, Arghya Bhowmik, Tomaž Katrašnik

Publikováno v: Energy storage materials, vol. 56, pp. 489-494, 2023.
Zelič, K, Mele, I, Bhowmik, A & Katrašnik, T 2023, ' Phase separating electrode materials-chemical inductors? ', Energy Storage Materials, vol. 56, pp. 489-494 . https://doi.org/10.1016/j.ensm.2023.01.008

We discover presence of chemical inductive effects in phase separating ion intercalation energy storage materials, specifically in lithium iron phosphate (LFP) and also lithium titanate oxide (LTO). These materials features fast (de)intercalation and

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::604be3286b469566dff140a9adfb3fb7
https://repozitorij.uni-lj.si/Dokument.php?id=166444&dn=

Advanced Continuum Li-ion Battery Modelling Framework

Autor: Tomaž Tomaž, Tomaž Katrašnik, Igor Mele, Klemen Zelič

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::56b94a87ed29ef754014a6fe226dfd19
https://doi.org/10.46855/energy-proceedings-2014

Thermodynamically consistent derivation of chemical potential of a battery solid particle from the regular solution theory applied to LiFePO4

Autor: Klemen Zelič, Tomaž Katrašnik

Publikováno v: Scientific Reports, Vol 9, Iss 1, Pp 1-13 (2019)

The chemical potential of lithium in LixFePO4 active cathode nanoparticles and the surface free energy between LixFePO4 and electrolyte were determined with the novel thermodynamically consistent application of the regular solution theory. Innovative

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::5d636ef3d284d80e57ad6dca27bfab80
https://doi.org/10.1038/s41598-019-38635-2

Multi-scale modelling of Lithium-ion batteries: From transport phenomena to the outbreak of thermal runaway

Autor: Tomaž Katrašnik, Igor Mele, Klemen Zelič

Publikováno v: Energy Conversion and Management. 236:114036

Multi-scale and multi-domain mathematical models capable of modelling main electrochemical reactions, side reactions and heat generation can reduce the time and cost of lithium-ion battery development and deployment, since these processes decisively

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::f059241dc7d2b89ce26c074d080eb9d1
https://doi.org/10.1016/j.enconman.2021.114036