Irreversible thermodynamics of surfaces and interfaces: Special reference to the strained thin solid films on the substrates: Theory and practice

• Published in: Journal of applied physics 2023-04, Vol.133 (15)
• Main Author: Ogurtani, Tarik Omer
• Format: Article
• Language: English
• Subjects: Applied physics; Boundary conditions; Condensates; Contact angle; Crack initiation; Crack propagation; Diffusion rate; Drift; Droplets; Evaporation rate; Germanium; Nanotechnology devices; Nucleation; Quantum confinement; Quantum dots; Recrystallization; Roughening; Silicon; Statistical thermodynamics; Strain energy; Substrates; Surface roughness; Tensors; Thermodynamics; Thin films; Wetting
• ISSN: 0021-8979; 1089-7550
• DOI: 10.1063/5.0138741

The realization of nanoscale devices largely depends on our ability to control and manipulate interfacial interactions and, thus, understanding of the mechanisms of surface/interface instabilities. In this work, theoretically as well as technologically important and distinct two thermodynamic systems, which are exposed to (isobaric) and isolated from (isochoric) external body forces and surface tractions, are formulated by using irreversible thermodynamics in combination with the generalized variational method. The starting point for the present formulation closely follows up the Fowler and Guggenheim [Statistical Thermodynamics (University Press, Cambridge, 1952)] interpretation of the Planck inequality [Über Prinzip Vermehrung Entropie: Ann. Phys. Series 2(32), 462 (1887)] for isothermal reversible and irreversible (natural) infinitesimal changes in heterogeneous systems (multi-phase and multi-component). By combining this fundamental principle with the interlink between the dissipation function and global internal entropy production postulates, two distinct sets of governing equations for the surface drift-diffusion flux as well as the rate of evaporation/condensation and/or the growth/recrystallization of amorphous solid thin films are obtained for isochoric and isobaric systems. The role of Eshelby's energy-momentum tensor in the generalized potential for the interface displacement is found to differ (opposite in sign) for isochoric and isobaric systems. To demonstrate the importance of these sign conflicts, two sets of computer experiments are performed on isochoric and isobaric systems. They showed us that the elastic strain energy density contribution to the generalized driving force for surface drift-diffusion alone favoring flat and smooth surfaces in isobaric systems regardless of the sign of the uniaxial stress (healing), rather than causing the surface roughness and even catastrophic crack initiation as the case in internally strained isochoric systems. Computer simulations allowed us to track down the dynamical behavior of test modules by furnishing surface and strain energy variations, combined with the Global Helmholtz free change, which indicates the existence of two regimes: initial smooth surface undulations followed up by the rather chaotic crack formation and propagation stage at the middle of the thin film supported by the stiff substrate. In this study, we mainly focused on the development kinetics of “Stranski–Krastanow” island-type