Calculation of work of adhesion and contact angle as dependent on the temperature in melt–solid metal systems
DOI:
https://doi.org/10.15407/hftp16.04.572Keywords:
temperature dependence of wetting angle, work of adhesion, passage of a particle over the potential barrier, reflection of the particle from the potential barrier, de Broglie wave, quantum numberAbstract
The contact and capillary properties of metal melts, processes of solid surface wetting by them, and adhesion of metal to the solid surface are the main characteristics determining the various technological processes during which the liquid metal or alloy comes into contact with the surface of the harder, more refractory substance. When conducting the various metallurgical processes, it is necessary to determine the temperature effect on the nature of wetting of the solid phase by the liquid one. Therefore, calculation of the wetting threshold temperature, i.e. the temperature at which the contact angle decreases sharply because of significant increase in the work of adhesion in nonequilibrium melt–solid metal systems, is of great practical importance. In this regard, the work objective was to calculate the change in the work of adhesion and the contact angle as dependent on the temperature for melt-solid metal systems. Our model was constructed based on the concepts of the Wentzel–Kramers–Brillouin quasiclassical quantum theory. The fundamental elements of the proposed model are the values of quantum numbers, directly depending on the temperature. The temperature at which the quantum number of the system changes from the integer to half-integer determines the wetting threshold, that is, a sharp improvement in the system wetting. Interaction of the melt ions with the substrate atoms is considered indirectly through the formation of a potential barrier. According to the Wentzel–Kramers–Brillouin concepts, passage or reflection of a particle with the reduced mass over the barrier is determined by the integer or half-integer ratio of the de Broglie wave and linear dimensions of the potential barrier. According to the results of calculations, the curves of dependence of the contact angle on the temperature for the Sn–Al, Pb–Al, Sn–Cu and Pb–Cu systems were constructed. Their comparison with the curves of dependence of the contact angle on the temperature of the same systems, constructed experimentally by the other authors, shows that these curves have similar dynamics. Thus, with the use of the presented method it is possible to determine by calculation the work of adhesion and the contact angle in the melt-solid metal systems.
References
1. Delannay F., Froyen L., Deruyttere A. The wetting of solids by molten metals and its relation to the preparation of metal-matrix composites composites. J. Mater. Sci. 1987. 22: 1. https://doi.org/10.1007/BF01160545
2. Eremenko V.N. Surface and contact phenomena in metallic systems and their technological applications. Powder Metall. Met. Ceram. 1965. 4: 208. https://doi.org/10.1007/BF00773770
3. Shtapenko E.Ph., Syrovatko Yu.V., Levkovich O.O. Formation of contact interaction zones during infiltration of composite materials depending on binder composition. Him. Fiz. Tehnol. Poverhni. 2025. 16(1): 75. https://doi.org/10.15407/hftp16.01.075
4. Varanasi D., Aldawoudi K.E., Baumli P., Koncz-Horvath D., Kaptay G. Non-wetting to Wetting Transition Temperatures of Liquid Tin on Surfaces of Different Steel Samples Corresponding to their Spontaneous Deoxidation. Arch. Metall. Mater. 2021. 66(2): 469. https://doi.org/10.24425/amm.2021.135880
5. Gubzhokov M.M., Ponegev M.Kh., Sozaeva A.B., Sozaev V.A. Temperature dependences of wetting angles of steel 12Cr18Ni9Ti and ceramics by the melts with least additions of alkali metals. J. Phys. Conf. Ser. 2008. 98: 062028. https://doi.org/10.1088/1742-6596/98/6/062028
6. Kambolov D.A., Kashezhev A.Z., Kutuev R.A., Manukyants A.R., Ponegev M.Kh., Sozaev V.A., Shermetov A.Kh. Polytherms of angles of copper wetting by tin- and zinc-based melts. J. Surf. Invest. 2016. 10: 1276. https://doi.org/10.1134/S1027451016050748
7. Dalakova N.V., Elekoeva K.M., Kashezhev A.Z., Manukyants A.R., Prokhorenko A.D., Ponezhev M.Kh., Sozaev V.A. Polytherms of angles of aluminum and aluminum-lithium alloy wetting by tin-based melts. J. Surf. Invest. 2014. 8: 360. https://doi.org/10.1134/S1027451014020347
8. Kondo M., Matsumoto J. Surface tension and wettability calculation using density gradient potential in a physically consistent particle method. Comput. Methods Appl. Mech. Eng. 2021. 385: 114072. https://doi.org/10.1016/j.cma.2021.114072
9. Provenzano M., Bellussi F.M., Morciano M., Rossi E., Schleyer M., Asinari P., Straub T., Sebastiani M., Fasano M. Experimentally validated phase-field model to design the wettability of micro-structured surfaces. Mater. Des. 2023. 231: 112042. https://doi.org/10.1016/j.matdes.2023.112042
10. Mukai N., Natsume T., Oishi M., Oshima M. Analysis of Wettability Model Using Adhesional and Spreading Works. In: Proceedings of the 18th International Joint Conference on Computer Vision, Imaging and Computer Graphics Theory and Applications. 2023. P. 230. https://doi.org/10.5220/0011710100003417
11. Lu J.-Y., Lai C.-Y., Almansoori I., Chiesa M. The evolution in graphitic surface wettability with first-principles quantum simulations: the counterintuitive role of water. Phys. Chem. Chem. Phys. 2018. 20(35): 22636. https://doi.org/10.1039/C8CP03633K
12. Lu J.Y., Ge Q., Li H., Raza A., Zhang T.J. Direct Prediction of Calcite Surface Wettability with First-Principles Quantum Simulation. J. Phys. Chem. Lett. 2017. 8(21): 5309. https://doi.org/10.1021/acs.jpclett.7b02270
13. Lu J.Y., Ge Q., Raza A., Zhang T.J. Quantum Mechanical Prediction of Wettability of Multiphase Fluids-Solid Systems at Elevated Temperature. J. Phys. Chem. C. 2019. 123(20): 12753. https://doi.org/10.1021/acs.jpcc.9b00937
14. Peng H., Nguyen A.V., Birkett G.R. Determination of contact angle by molecular simulation using number and atomic density contours. Mol. Simul. 2012. 38(12): 945. https://doi.org/10.1080/08927022.2012.678846
15. Landau L.D., Lifshitz L.M. Quantum Mechanics: Non-Relativistic Theory. (Oxford: Pergamon Press, 1977).
16. Shtapenko E.Ph., Syrovatko Yu.V. Abnormal Effect of Changing the Wetting Angle in Non-Equilibrium Melt-Solid Metal Systems. Metallofiz. Noveishie Tekhnol. 2024. 46(8): 717. https://doi.org/10.15407/mfint.46.08.0717
17. Kambolov D.A., Kashezhev A.Z., Kutuev R.A., Korotkov P.K., Manukyants A.R., Ponezhev M.Kh., Sozaev V.A. On the wetting of aluminum and copper surface by tin-lead melts. J. Surf. Invest. 2015. 9: 636. https://doi.org/10.1134/S1027451015020305
18. Xiu Y., Zhu L., Hess D.W., Wong C.P. Relationship between Work of Adhesion and Contact Angle Hysteresis on Superhydrophobic Surfaces. J. Phys. Chem. C. 2008. 112(30): 11403. https://doi.org/10.1021/jp711571k
Downloads
Published
How to Cite
Issue
Section
License
Copyright (c) 2025 Yu. V. Syrovatko

This work is licensed under a Creative Commons Attribution 4.0 International License.
- Authors retain copyright and grant the journal right of first publication with the work simultaneously licensed under a Creative Commons Attribution License that allows others to share the work with an acknowledgement of the work's authorship and initial publication in this journal.
- Authors are able to enter into separate, additional contractual arrangements for the non-exclusive distribution of the journal's published version of the work (e.g., post it to an institutional repository or publish it in a book), with an acknowledgement of its initial publication in this journal.
- Authors are permitted and encouraged to post their work online (e.g., in institutional repositories or on their website) prior to and during the submission process, as it can lead to productive exchanges, as well as earlier and greater citation of published work.

