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Simulating transition dynamics between metastable states is a fundamental challenge in dynamical systems and stochastic processes with wide real-world applications in understanding protein folding, chemical reactions and neural activities.…
Chemical potential is an effective way to drive phase transition or express wettability. In this letter, we present a chemical-potential-based lattice Boltzmann model to simulate multiphase flows. The nonideal force is directly evaluated by…
The melting point of a material constitutes a pivotal property with profound implications across various disciplines of science, engineering, and technology. Recent advancements in machine learning potentials have revolutionized the field,…
Continuing on our previous work [ArXiv:1212.2644], we develop semi-implicit numerical methods for solving low Mach number fluctuating hydrodynamic equations appropriate for modeling diffusive mixing in isothermal mixtures of fluids with…
Direct pore scale simulations of two-fluid flow on digital rock images provide a promising tool to understand the role of surface wetting phenomena on flow and transport in geologic reservoirs. We present computational protocols that mimic…
Classical continuum-based liquid vapour phase-change models typically assume continuity of temperature at phase interfaces along with a relation which describes the rate of evaporation at the interface (Hertz-Knudsen-Schrage, for example).…
A two-phase, low-Mach-number flow solver is created and verified for variable-density liquid and gas with phase change. The interface is sharply captured using a split Volume-of-Fluid method generalized for a non-divergence-free liquid…
There are several approaches to describe flows with particles e.g. Lattice-Gas Automata (LGA), Lattice-Boltzmann method (LBM) or smoothed particle hydrodynamics (SPH). These approaches do not use fixed grids on which the Navier-Stokes…
We leverage 3D numerical simulations to study phase change materials (PCMs) cells under the effect of buoyancy forces. The solid PCM is heated from a source boundary, triggering melting. The source features multiple solid fins that protrude…
A three-dimensional (3 D) multiple-relaxation-time (MRT) and a 3 D single-relaxation-time (SRT) lattice Boltzmann (LB) models are proposed for the solid-liquid phase change. The enthalpy conservation equation can be recovered from the…
We consider the liquid-vapor type phase transition for fluids confined within spatially periodic external fields. For a fluid in d=3 dimensions, the periodic field induces an additional phase, characterized by large density modulations…
One of the most widely used active materials for phase-change memories (PCM), the ternary stoichiometric compound Ge$_2$Sb$_2$Te$_5$ (GST), has a low crystallization temperature of around 150$^\circ$C. One solution to achieve higher…
This work proposes an extension of phase change and latent heat models for the simulation of metal powder bed fusion additive manufacturing processes on the macroscale and compares different models with respect to accuracy and numerical…
We introduce a low Mach number model for moist atmospheric flows that accurately incorporates reversible moist processes in flows whose features of interest occur on advective rather than acoustic time scales. Total water is used as a…
Over the past few decades, tremendous progress has been made in the development of particle-based discrete simulation methods versus the conventional continuum-based methods. In particular, the lattice Boltzmann (LB) method has evolved from…
An understanding of the hydrodynamics of multiphase processes is essential for their design and operation. Multiphase computational fluid dynamics (CFD) simulations enable researchers to gain insight which is inaccessible experimentally.…
Conventional derivations of phase boundaries from the Clausius-Clapeyron (CC) relation often employ the constant latent heat approximation to maintain analytical functions of the sublimation and boiling curves. To address the complex…
A mathematical model allowing coupled hygro-thermo-mechanical analysis of spalling in concrete walls at high temperatures by means of the moving boundary problem is presented. A simplified mechanical approach to account for effects of…
Modelling interfacial dynamics with soluble surfactants in a multiphase system is a challenging task. Here, we consider the numerical approximation of a phase-field surfactant model with fluid flow. The nonlinearly coupled model consists of…
The finite element simulation of dynamic wetting phenomena, requiring the computation of flow in a domain confined by intersecting a liquid-fluid free surface and a liquid-solid interface, with the three-phase contact line moving across the…