2015 Physics/PhD Department of Physics, Norwegian University of Science and Technology, Norway
34
Scopus Publications
595
Scholar Citations
14
Scholar h-index
16
Scholar i10-index
Scopus Publications
Molecular dynamics study of graphite 2-D nucleation from paramagnetic Fe-C melt Adam Götz, Daniel Marchand, Leander Michels, Jaakko Akola Communications Materials, 2026 The nucleation and growth of graphite in Fe-C alloys (cast iron) can both be related to the 2-D nucleation of a single atomic layer of graphene. Here, we use molecular dynamics (MD) simulations to study the nucleation of graphite from molten iron. A neural-network potential is developed for the Fe-C system using a pragmatic approach to treat the paramagnetic nature of liquid iron, and its thermodynamic behavior is validated against data from thermochemical software. The critical nucleus size and free-energy barrier for nucleation are computed using MD simulations in combination with enhanced sampling methods, and the results are compared with continuum models based on adaptations of classical nucleation theory. 2-D nucleation is found to be a feasible mechanism for graphite nucleation and growth at a carbon supersaturation of 5 at.% or higher. At low supersaturation the nucleation rate declines, and other mechanisms such as interaction with substrates other than graphite, solute elements, or defects are necessary to facilitate the formation of new layers.
Liquid crystalline structuring in dilute suspensions of high aspect ratio clay nanosheets Osvaldo Trigueiro Neto, Sabine Rosenfeldt, Paulo Henrique Michels-Brito, Konstanse Kvalem Seljelid, Andrew Akanno, et al. Colloid and Polymer Science, 2025 Aqueous liquid suspensions of high aspect ratio 2D clay nanosheets were investigated using small angle X-ray scattering (SAXS). The high aspect ratio of synthetic fluorohectorite clays allows for investigation of liquid crystalline orientational order for relatively large nanosheet spacings, in the range which can produce structural coloration, thus providing two handles for determining the nanosheet spacings: SAXS and visible color. Various clay concentrations were investigated, and good agreement with previous work on structural coloration from such suspensions was obtained. Particular attention is given to the confinement caused by the container geometry, where both cylindrical and flat confinements were investigated. In both cases, the SAXS data suggest coherent regions that have a nematic inter-orientational distribution that surprisingly is linked to the container geometry, which apparently determines the efficiency of packing of the suspension. For both geometries, the analysis suggests that these coherent regions have a 1D lamellar periodic intra-structure with uniform nanosheet spacing determined by the clay concentration and a typical correlation length in the range of 200 to 500 nm. Graphical abstract
Influence of pre-inoculation treatment on non-metallic micro-inclusion population and microstructure of spheroidal graphite irons António Pires, Leander Michels, Sónia Simões, Cathrine Hartung, Emmanuelle Ott, et al. Journal of Materials Science, 2025 Producing high-quality spheroidal graphite irons has become challenging due to the need for high-quality raw materials. The iron-silicon-carbon alloy microstructure is influenced by the non-metallic micro-inclusions (microparticles) dispersed in the melt that can act as exogenous nucleation sites for graphite during solidification. For that, ferrosilicon alloys with specially selected active elements are often added to the melt to modify those micro-inclusions during the production of this material. In this context, the present study investigates the effect of a (Zr, Al, Ca)-ferrosilicon on micro-inclusion dispersion and microstructure of spheroidal graphite irons, as a pre-inoculation addition, where the sulfur and oxygen activity are the highest. The micro-inclusions were analyzed based on their chemical composition, area fraction, number density, and size distribution. The data suggests that the oxide population is greatly affected by coarsening of the oxide inclusions when the melt is pre-inoculated. Furthermore, the pre-inoculation treatment leads to the formation of more complex multiphase inclusions. Graphite nucleus types were statistically reported, and the results show that they are mainly sulfides and nitrides. Graphical abstract
Effect of Inoculation, Section Size and Cooling Rate on Microstructure and Inclusion Characteristics in Spheroidal Graphite Iron 75th World Foundry Congress Wfc 2024, 2024
Li-decorated octagonal-distorted-graphene as a high-capacity near-ambient hydrogen storage medium: A first-principles study NF Martins, KAL Lima, JAS Laranjeira, L Michels, LAR Junior, ... Journal of Energy Storage 161, 121995 , 2026 2026
The Individual Influences of B and Cu on Graphite and Inclusion Populations in Spheroidal Graphite Iron AV Bugten, L Michels, RH Mathiesen, C Hartung, E Ott, Y Li, L Arnberg, ... Metallurgical and Materials Transactions B, 1-18 , 2026 2026
Characteristics of “Monday Morning” Base Iron C Hartung, B Kroka, R Schmidt, M Riabov, D Kesse, L Michels International Journal of Metalcasting 20 (2), 948-956 , 2026 2026
Excitonic and photovoltaic properties of Janus Sc2C and Y2C MXenes from first-principles calculations BD Aparicio-Huacarpuma, CMO Bastos, CAV Huayhua, AMA Silva, ... Computational Condensed Matter, e01213 , 2026 2026 Citations: 3
Molecular dynamics study of graphite 2-D nucleation from paramagnetic Fe-C melt A Götz, D Marchand, L Michels, J Akola Communications Materials 7 (1), 10 , 2026 2026
Influence of B and Cu on microstructure and eutectoid transformation kinetics in spheroidal graphite cast iron A.V. Bugten, L. Michels, R.H. Mathiesen, R. Bjørge, D. Chernyshov, C.J ... Materialia 43, 102511 , 2025 2025 Citations: 4
Liquid crystalline structuring in dilute suspensions of high aspect ratio clay nanosheets O Trigueiro Neto, S Rosenfeldt, PH Michels-Brito, KK Seljelid, A Akanno, ... Colloid and Polymer Science 303 (9), 1769-1778 , 2025 2025 Citations: 2
Influence of pre-inoculation treatment on non-metallic micro-inclusion population and microstructure of spheroidal graphite irons A Pires, L Michels, S Simões, C Hartung, E Ott, B Kroka, CS Ribeiro Journal of Materials Science 60 (10), 4727-4746 , 2025 2025 Citations: 6
Density functional investigation of the heterogeneous nucleation of graphite on divalent metal oxides and sulfides A Götz, L Michels, J Akola Acta Materialia 282, 120427 , 2025 2025 Citations: 6
Conductive water-based graphene suspension for electromagnetic interference shielding via spray coating on SiP module A Bobsin, RM Kerber, IJ Fernandes, SB Ferreira, W Hasenkamp, ... Progress in Organic Coatings 195, 108658 , 2024 2024 Citations: 8
Ferrosilicon vanadium and/or niobium alloy, production of a ferrosilicon vanadium and/or niobium alloy, and the use thereof OTT Emmanuelle, EG HOEL, L MICHELS, C HARTUNG, OS Klevan, ... US Patent App. 18/552,979 , 2024 2024
The influence of boron (B), tin (Sn), copper (Cu), and manganese (Mn) on the microstructure of spheroidal graphite irons AV Bugten, P Sanders, C Hartung, R Logan, M Di Sabatino, L Michels International Journal of Metalcasting 18 (3), 1914-1925 , 2024 2024 Citations: 6
Ageing of micro and nano silicon surface A Olivo, L Michels, MM Høyen, K Friestad, M Di Sabatino Proceedings of the Silicon for the Chemical and Solar Industry XVII , 2024 2024
Domain Orientation and Molecular Ordering in Thin Films of Small Molecule Donor for Organic Photovoltaics N Patil, B Watts, L Michels, R Claessens, D Kleiven, ETB Skjønsfjell, ... ChemRxiv 2024 (0304) , 2024 2024
Graphite nucleation on (Al, Si, Mg)-nitrides: elucidating the chemical interactions and turbostratic structures in spheroidal graphite cast irons L Michels, B Cygan, M Pawlyta, J Jezierski, A Götz, J Akola Carbon 220, 118848 , 2024 2024 Citations: 18
Electron Microscopy of a Gas-Atomized NiSiV Powder I Konow, S Wenner, L Michels, JO Odden, U Ludacka, R Holmestad BIO Web of Conferences 129, 23046 , 2024 2024
Thermochemical evaluation of cast iron slags generated from a holding furnace C Hartung, M Liptak, R Logan, L Michels International Journal of Metalcasting 17 (4), 2754-2761 , 2023 2023 Citations: 4
The role of boron in low copper spheroidal graphite irons AV Bugten, L Michels, RB Brurok, C Hartung, E Ott, L Vines, Y Li, ... Metallurgical and Materials Transactions 54 (7), 2539-2553 , 2023 2023 Citations: 9
Microstructural characterization of spheroidal graphite irons: a study of the effect of preconditioning treatment A Pires, S Simões, L Michels, E Ott, C Hartung, CS Ribeiro Metals 13 (1), 5 , 2022 2022 Citations: 8
Effect of holding time on populations of microparticles in spheroidal graphite irons L Michels, AJF Pires, CAS Ribeiro, B Kroka, EG Hoel, E Ott, C Hartung Metallurgical and Materials Transactions B 53 (2), 836-847 , 2022 2022 Citations: 19
MOST CITED SCHOLAR PUBLICATIONS
Intercalation and retention of carbon dioxide in a smectite clay promoted by interlayer cations L Michels, JO Fossum, Z Rozynek, H Hemmen, K Rustenberg, PA Sobas, ... Scientific Reports 5 (1), 8775 , 2015 2015 Citations: 110
Real Time 3D Observations of Portland Cement Carbonation at CO 2 Storage Conditions EA Chavez Panduro, B Cordonnier, K Gawel, I Børve, J Iyer, SA Carroll, ... Environmental science & technology 54 (13), 8323-8332 , 2020 2020 Citations: 69
Ciprofloxacin intercalated in fluorohectorite clay: identical pure drug activity and toxicity with higher adsorption and controlled release rate EC Dos Santos, Z Rozynek, EL Hansen, R Hartmann-Petersen, ... RSC advances 7 (43), 26537-26545 , 2017 2017 Citations: 55
Electrohydrodynamic controlled assembly and fracturing of thin colloidal particle films confined at drop interfaces Z Rozynek, P Dommersnes, A Mikkelsen, L Michels, JO Fossum The European Physical Journal Special Topics 223 (9), 1859-1867 , 2014 2014 Citations: 41
Electronic and structural properties of the natural dyes curcumin, bixin and indigo L Michels, A Richter, RK Chellappan, HI Røst, A Behsen, KH Wells, L Leal, ... RSC advances 11 (23), 14169-14177 , 2021 2021 Citations: 33
Bright, noniridescent structural coloration from clay mineral nanosheet suspensions PH Michels-Brito, V Dudko, D Wagner, P Markus, G Papastavrou, ... Science Advances 8 (4), eabl8147 , 2022 2022 Citations: 31
The pH influence on the intercalation of the bioactive agent ciprofloxacin in fluorohectorite EC Dos Santos, WP Gates, L Michels, F Juranyi, A Mikkelsen, GJ Da Silva, ... Applied Clay Science 166, 288-298 , 2018 2018 Citations: 24
Continuous water adsorption states promoted by Ni2+ confined in a synthetic smectite MAS Altoé, L Michels, EC dos Santos, R Droppa Jr, G Grassi, L Ribeiro, ... Applied Clay Science 123, 83-91 , 2016 2016 Citations: 23
EXAFS and XRD studies in synthetic Ni-fluorohectorite L Michels, L Ribeiro, MSP Mundim, MH Sousa, R Droppa Jr, JO Fossum, ... Applied clay science 96, 60-66 , 2014 2014 Citations: 22
Effect of holding time on populations of microparticles in spheroidal graphite irons L Michels, AJF Pires, CAS Ribeiro, B Kroka, EG Hoel, E Ott, C Hartung Metallurgical and Materials Transactions B 53 (2), 836-847 , 2022 2022 Citations: 19
Graphite nucleation on (Al, Si, Mg)-nitrides: elucidating the chemical interactions and turbostratic structures in spheroidal graphite cast irons L Michels, B Cygan, M Pawlyta, J Jezierski, A Götz, J Akola Carbon 220, 118848 , 2024 2024 Citations: 18
The use of a laponite dispersion to increase the hydrophilicity of cobalt-ferrite magnetic nanoparticles AS Aguiar, L Michels, FG da Silva, C Kern, G Gomide, CM Ferreira, ... Applied Clay Science 193, 105663 , 2020 2020 Citations: 16
Physicochemical characterisation of fluorohectorite: Water dynamics and nanocarrier properties SR Larsen, L Michels, ÉC dos Santos, MC Berg, WP Gates, LP Aldridge, ... Microporous and Mesoporous Materials 306, 110512 , 2020 2020 Citations: 15
Water vapor diffusive transport in a smectite clay: Cationic control of normal versus anomalous diffusion L Michels, Y Méheust, MAS Altoe, ÉC Dos Santos, H Hemmen, ... Physical Review E 99 (1), 013102 , 2019 2019 Citations: 14
The Impact of Thermal History on Water Adsorption in a Synthetic Nanolayered Silicate with Intercalated Li + or Na + L Michels, CLS Da Fonseca, Y Méheust, MAS Altoe, EC Dos Santos, ... The Journal of Physical Chemistry C 124 (45), 24690-24703 , 2020 2020 Citations: 13
Cation exchange dynamics confined in a synthetic clay mineral G Grassi, L Michels, Z Rozynek, MAS Altoé, EC dos Santos, ... The European Physical Journal Special Topics 223 (9), 1883-1893 , 2014 2014 Citations: 13
The role of boron in low copper spheroidal graphite irons AV Bugten, L Michels, RB Brurok, C Hartung, E Ott, L Vines, Y Li, ... Metallurgical and Materials Transactions 54 (7), 2539-2553 , 2023 2023 Citations: 9
Exfoliation of carboxymethylcellulose-intercalated layered double hydroxide in water GF Perotti, JR Bortotti, FS Lima, L Michels, EC dos Santos, MAS Altoe, ... Applied Clay Science 205, 106005 , 2021 2021 Citations: 9
Conductive water-based graphene suspension for electromagnetic interference shielding via spray coating on SiP module A Bobsin, RM Kerber, IJ Fernandes, SB Ferreira, W Hasenkamp, ... Progress in Organic Coatings 195, 108658 , 2024 2024 Citations: 8
Microstructural characterization of spheroidal graphite irons: a study of the effect of preconditioning treatment A Pires, S Simões, L Michels, E Ott, C Hartung, CS Ribeiro Metals 13 (1), 5 , 2022 2022 Citations: 8
