Article
Thermodynamics
Yangyu Guo, Moran Wang
Summary: In this work, a lattice Boltzmann scheme was developed to numerically solve the phonon Boltzmann equation, modeling the transition of heat transport from diffusive regime to hydrodynamic regime and successfully capturing phonon hydrodynamic phenomena.
INTERNATIONAL JOURNAL OF THERMAL SCIENCES
(2022)
Article
Thermodynamics
Chuang Zhang, Songze Chen, Zhaoli Guo
Summary: Heat conduction in solid materials can exhibit fluid dynamics behavior when normal scattering dominates phonon transport, leading to the prediction of heat vortices with frequency-independent relaxation time in the hydrodynamic regime. This phenomenon can also appear in other regimes such as the ballistic regime, with differences in vortex sizes and critical values observed. The study provides insights into the wider window of heat vortices in different regimes and their characteristics in different material structures.
INTERNATIONAL JOURNAL OF HEAT AND MASS TRANSFER
(2021)
Article
Physics, Applied
Hong-Ao Yang, Bing-Yang Cao
Summary: This study presents a robust lattice dynamics algorithm for calculating the mode-resolved phonon transmittance across interfaces. It reveals evanescent modes and localized effects at the interface and shows that the anisotropy in the azimuth angle can be ignored while the dependency on the frequency and polar angle can be decoupled, accurately reproducing the thermal boundary conductance (TBC).
JOURNAL OF APPLIED PHYSICS
(2023)
Article
Mechanics
Eslam Ezzatneshan, Reza Sadraei
Summary: This study investigates the effects of vibration on droplet dynamics inside a three-dimensional porous medium. The results show that contact angle significantly affects the volume and duration of droplet drainage. Hydrophilic pores hinder droplet drainage and resist vibration, while a hydrophobic surface leads to quicker drainage. The study also finds that increasing the vibration frequency can enhance droplet separation and improve drainage.
Article
Chemistry, Physical
Ziqi Guo, Prabudhya Roy Chowdhury, Zherui Han, Yixuan Sun, Dudong Feng, Guang Lin, Xiulin Ruan
Summary: Researchers have developed a machine learning approach that accurately predicts phonon scattering rates and thermal conductivity with experimental and first principles accuracy. This method overcomes the complexity and high computational cost associated with phonon scattering calculations, and enables large-scale thermal transport informatics.
NPJ COMPUTATIONAL MATERIALS
(2023)
Article
Nanoscience & Nanotechnology
Yongbin Zhu, Zhijia Han, Bing Han, Feng Jiang, Xinzhi Wu, Cheng-Gong Han, Yonghong Deng, Weishu Liu
Summary: Nano approaches can effectively enhance the thermoelectric figure of merit by introducing strong phonon scattering at heterogeneous interfaces, as demonstrated in Mg2Sn/Mg3Sb2 high-content nanocomposites in this study. This leads to a significantly reduced lattice thermal conductivity and ultimately achieving a high ZT value in the material. Various defects were also observed through microstructure characterization in both Mg3Sb2 phase and Mg2Sn phase.
ACS APPLIED MATERIALS & INTERFACES
(2021)
Article
Thermodynamics
O. Farzadian, F. Yousefi, C. Spitas, K. Kostas
Summary: In this study, non-equilibrium molecular dynamics simulations were used to investigate phonon heat transport in a two-dimensional superlattice with equal-sized domains of graphene and phagraphene. It was found that the minimum thermal conductivity occurred at a superlattice period of 12.85 nm for ribbons, with a value of 155 W/mK. The minimum thermal conductivity of graphene-phagraphene superlattices is approximately 5% of pure graphene thermal conductivity and 50% of phagraphene thermal conductivity.
INTERNATIONAL JOURNAL OF HEAT AND MASS TRANSFER
(2022)
Article
Thermodynamics
Ezequiel O. Fogliatto, Alejandro Clausse, Federico E. Teruel
Summary: The study introduces a double-MRT lattice Boltzmann model for thermal multiphase flow, which can accurately simulate numerical tests with known analytical solutions and is validated through grid independency testing.
INTERNATIONAL JOURNAL OF THERMAL SCIENCES
(2021)
Article
Thermodynamics
Ezequiel O. Fogliatto, Alejandro Clausse, Federico E. Teruel
Summary: A new thermal lattice Boltzmann scheme is introduced for simulating heat transfer and phase change in multiphase flows. The model improves the equilibrium distribution function, source term, and relaxation matrix, resulting in a equation that recovers the macroscopic advection-diffusion equation and allows control of thermal diffusivity. The model is tested against real experimental conditions, showing good predictive capability.
INTERNATIONAL JOURNAL OF THERMAL SCIENCES
(2022)
Article
Computer Science, Interdisciplinary Applications
Bagdagul Kabdenova (Dauyeshova), Luis R. Rojas-Solorzano, Ernesto Monaco
Summary: In this work, a hybrid equation of state was incorporated into the pseudopotential multiphase Lattice Boltzmann Model to improve the prediction accuracy of thermodynamic properties of fluids in near-critical and supercritical regions. The hybrid equation showed good performance in representing the behavior of fluids near the critical point, demonstrating its validity and versatility in predicting near-critical flows. The study also extended to multi-component multiphase systems, showing promising results in different industrial processes.
COMPUTERS & FLUIDS
(2021)
Article
Thermodynamics
Rene Hammer, Verena Fritz, Natalia Bedoya-Martinez
Summary: The study introduces the worm-lattice Boltzmann method to overcome the ray effect problem in the high Knudsen number regime, proposing the time-adaptive scheme and grid-mean free path correction to address velocity anisotropy issues. The accuracy of the new method is demonstrated through various diffusive-ballistic phonon transport cases, showing potential for a wide range of applications.
INTERNATIONAL JOURNAL OF HEAT AND MASS TRANSFER
(2021)
Article
Physics, Condensed Matter
Aleksandr Meilakhs, Bogdan Semak
Summary: This paper introduces a new method for calculating interfacial thermal resistance in the case of heat transport through the interface by phonons, considering the nonequilibrium character of phonon-distribution functions during heat transfer. The well-described diffuse mismatch model is used to introduce a model set of transmission and reflection amplitudes of phonons at the interface, for which an exact analytical solution is derived. Finally, the problem is solved for a set of transmission and reflection amplitudes characterized by a free parameter.
PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS
(2021)
Article
Materials Science, Multidisciplinary
Shaofeng Wang
Summary: The boundary equation in solid mechanics is studied for half-infinite lattice using a model of cubic lattice, revealing the boundary matrix and how it can be used to derive the dislocation equation as a generalisation of classical Peierls equation. The leading order correction to the results in the elastic continuum theory is explicitly determined. This modification of the Peierls equation relates relevant coefficients to bulk properties of solids.
PHILOSOPHICAL MAGAZINE
(2022)
Article
Thermodynamics
Eslam Ezzatneshan, Ashkan Salehi, Hamed Vaseghnia
Summary: In this study, the boiling phenomenon and bubble dynamics were investigated using a lattice Boltzmann method. The effect of different equations of state and surface properties on bubble nucleation, growth, and departure were evaluated. The results revealed that sharp-angled edges are the region where boiling occurs. It was also found that surface wettability and shape have a significant impact on bubble separation time and velocity.
INTERNATIONAL JOURNAL OF THERMAL SCIENCES
(2023)
Article
Chemistry, Physical
Harpriya Minhas, Sandeep Das, Biswarup Pathak
Summary: The theoretical determination of thermoelectric properties of a material depends on the order of phonon interactions within the system. Four-phonon interactions should be considered when three-phonon-based calculations overestimate lattice thermal conductivity, leading to lower ZT values. The evaluation of GeS materials shows higher ZT values for bulk systems compared to bilayer systems, and the effect of four-phonon scattering is more dominant in the o-GeS bilayer due to a larger phonon band gap.
ACS APPLIED ENERGY MATERIALS
(2023)