We present mesoscale numerical simulations based on the coupling of the fluctuating lattice Boltzmann method for multicomponent systems with a wetted finite-size particle model. This newly coupled methodologies are used to study the motion of a spherical particle driven by a constant body force in a confined channel with a fixed square cross section. The channel is filled with a mixture of two liquids under the effect of thermal fluctuations. After some validations steps in the absence of fluctuations, we study the fluctuations in the particle's velocity at changing thermal energy, applied force, particle size, and particle wettability. The importance of fluctuations with respect to the mean settling velocity is quantitatively assessed, especially in comparison with unconfined situations. Results show that the expected effects of confinement are very well captured by the numerical simulations, wherein the confinement strongly enhances the importance of velocity fluctuations, which can be one order of magnitude larger than what expected in unconfined domains. The observed findings underscore the versatility of the proposed methodology in highlighting the effects of confinement on the motion of particles in the presence of thermal fluctuations.
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http://dx.doi.org/10.1140/epje/s10189-021-00144-4 | DOI Listing |
Entropy (Basel)
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AGH University of Krakow, Faculty of Metals Engineering and Industrial Computer Science, al. Mickiewicza 30, 30-059 Kraków, Poland.
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January 2025
South China Normal University, School of Physics, Guangdong Provincial Key Laboratory of Quantum Engineering and Quantum Materials, Guangdong Basic Research Center of Excellence for Structure and Fundamental Interactions of Matter, Guangzhou, 510631, CHINA.
With the continuous development of digital information and big data technologies, the ambient temperature and heat generation during the operation of magnetic storage devices play an increasingly crucial role in ensuring data security and device stability. In this study, we examined the lattice thermal conductivity of the van der Waals magnetic semiconductor CrSBr from bulk to monolayer structures using first-principles calculations and the phonon Boltzmann transport equation. Our results indicated that lattice thermal conductivity show anisotropy and CrSBr bilayer exhibits lower thermal conductivity at all temperatures.
View Article and Find Full Text PDFJ Thorac Dis
December 2024
College of Chemistry and Life Science, Beijing University of Technology, Beijing, China.
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View Article and Find Full Text PDFNanoscale
January 2025
Key Laboratory of Artificial Micro- and Nano-structures of Ministry of Education, School of Physics and Technology, Wuhan University, Wuhan 430072, People's Republic of China.
Superlattices are significant means to reduce the lattice thermal conductivity of thermoelectric materials and optimize their performance. In this work, using high-precision first-principles based neural network potentials combined with non-equilibrium molecular dynamics simulations and the phonon Boltzmann transport equation, the lattice thermal conductivities of BiTe monolayer and lateral BiTe/SbTe monolayer superlattices are thoroughly investigated. As the period length increases, the thermal conductivity shows a trend of an initial decrease followed by an increase, which aligns with conventional observations.
View Article and Find Full Text PDFLangmuir
January 2025
CNNFM Lab, School of Mechanical Engineering, College of Engineering, University of Tehran, P.O. Box 11155-4563 Tehran, Iran.
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