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Lattice Boltzmann simulation study of anode degradation in solid oxide fuel cells during the initial aging process
For present solid oxide fuel cells (SOFCs), rapid performance degradation is observed in the initial aging process, and the discussion of the...
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Applications of lattice Boltzmann method combined with smoothed profile method for particulate flows: a brief review
Particulate flows occur in various natural and technological settings. Understanding what influences the flow characteristics and how they can be...
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An anisotropic lattice Boltzmann - phase field model for dendrite growth and movement in rapid solidification of binary alloys
A model coupling the lattice Boltzmann and the phase field methods with anisotropic effects is proposed, which is used to numerically describe the...
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Phase-Field Lattice-Boltzmann Study for α-Mg Dendrite Growth of Mg-5wt%Zn Alloy with Forced Convection
Melt flow can significantly change the transport of heat and solute, dendrite growth. In this work, a phase-field lattice-Boltzmann model was...
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Experimental Explorations and Lattice-Boltzmann Simulations for Macrosegregation Evolution Kinetics of Glass-Fluxed Immiscible Alloys
Immiscible alloys usually display various macrosegregation patterns induced by liquid phase separation. Here, the macrosegregation evolution kinetics...
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Comparative study of two-relaxation time lattice Boltzmann and finite element methods for a planar 4:1 contraction flow: a Newtonian fluid at finite Reynolds numbers
We study the flow behavior of a Newtonian fluid in a planar 4:1 contraction channel using two numerical methodologies: the two-relaxation time...
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Simulations of Multiple Grains Growth of Mg–Al Alloy Semisolid Structure by Phase-Field-Lattice Boltzmann Simulation
To study the grain morphology of Mg–Al alloy semisolid structure during the process of mechanical stirring, a multiple grains PF-LBM model...
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Simulation of the Three-Component Potts Model on a Hexagonal Lattice by the Monte Carlo Method
AbstractComputer simulation of the three-component Potts model on a hexagonal lattice was carried out using the Monte Carlo method. Systems with...
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Comparison of the rheological behavior of particulate suspensions in power-law and Newtonian fluids by combined improved smoothed profile-lattice Boltzmann methods
In the present work, a numerical algorithm based on a combination of the lattice Boltzmann method (LBM) and the improved smoothed profile method...
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Dynamic mode decomposition of nonequilibrium electron-phonon dynamics: accelerating the first-principles real-time Boltzmann equation
Nonequilibrium dynamics governed by electron–phonon ( e -ph) interactions plays a key role in electronic devices and spectroscopies and is central to...
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Simulation of Laser Ablation of Materials within the Thermal Spike Model
AbstractPreviously, numerical simulations of laser ablation of materials occurring under the action of ultrashort laser pulses in semiconfined...
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Tl-based TlAgX (X = S, Se) monolayers with ultra-low lattice thermal conductivity and high ZT: a first-principles study
Based on first-principles and Boltzmann transport equation, the electronic structure and thermoelectric properties of derivative TlAgX (X = S, Se)...
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Colloidal hydrodynamics using a quasi-steady algorithm in lattice Boltzmann method
Hydrodynamics can play an important role in determining the behaviour of colloidal particles in many soft matter systems. Analytical solutions for...
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Crystal Lattice Defects
As interstitial element, hydrogen causes remarkable distortions in the crystal lattice, which predetermines the affinity of hydrogen atoms with...
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Simulations for the flow of viscoplastic fluids in a cavity driven by the movement of walls by Lattice Boltzmann Method
The current paper is focused on analyzing the flow of viscoplastic fluid in a cavity that is driven by the two walls. The Lattice Boltzmann method...
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Interactions of Hydrogen with Lattice Defects
Hydrogen interactions with various lattice defects are described, paying much attention to dislocations and strain-induced vacancies. Binding...
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Evaluation and comparison of the mechanism of two bioactive materials in vital pulp therapy: a molecular dynamics simulation approach
Dental biomaterials are commonly used in vital pulp therapy to protect dentin against degradation. However, the protection role of the ions diffusing...
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First-Principles Study of Lattice Thermal Conductivity in Janus MoSSe Bilayers with Different Stacking Modes
Recently, derivatives of molybdenum disulfide have attracted considerable attention. Among them, the thermal conductivity of Janus-based MoSSe SeS,...
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Remarkably high tensile strength and lattice thermal conductivity in wide band gap oxidized holey graphene C2O nanosheet
Recently, the synthesis of oxidized holey graphene with the chemical formula C 2 O has been reported (J. Am. Chem. Soc. 2024, 146, 4532). We herein...
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Accurate machine learning force fields via experimental and simulation data fusion
Machine Learning (ML)-based force fields are attracting ever-increasing interest due to their capacity to span spatiotemporal scales of classical...
