Related papers: Extended MARTINI Water Model for Heat Transfer Stu…
Water evaporation is critically important for hydrogels in open-air applications, but theoretically modeling is difficult due to the complicated intermolecular interactions and sustained deformation. In this work, we construct a simplified…
The results of numerical simulation using a modified Monte Carlo method with a heat bath algorithm for the pseudospin model of cuprates are presented. The temperature phase diagrams are constructed for various degrees of doping and for…
This work is devoted to the analysis and resolution of a well-posed mathematical model for several processes involved in the artificial circulation of water in a large waterbody. This novel formulation couples the convective heat transfer…
This work assesses Lagrangian droplet evaporation models frequently used in spray combustion simulations, with the purpose of identifying the influence of modeling decisions on the single droplet behavior. Besides more simplistic models,…
Current state-of-the-art generative models map noise to data distributions by matching flows or scores. A key limitation of these models is their inability to readily integrate available partial observations and additional priors. In…
The density functional approach for classical associating fluids is used to explore the wetting phase diagrams for model systems consisting of water and graphite-like solid surfaces chemically modified by a small amount of grafted chain…
The thermal lattice BGK model is a recently suggested numerical tool which aims to simulate thermohydrodynamic problems. We investigate the quality of the lattice BGK simulation by calculating the temperature profiles in the Couette flow…
Parameterized artificial neural networks (ANNs) can be very expressive ansatzes for variational algorithms, reaching state-of-the-art energies on many quantum many-body Hamiltonians. Nevertheless, the training of the ANN can be slow and…
Describing the interactions of water molecules is one of the most common, yet critical, tasks in molecular dynamics simulations. Because of its unique properties, hundreds of attempts have been made to construct an ideal interaction…
An innovative computational approach to capturing the essential aspects of an Enhanced Geothermal System (EGS) is formulated. The modified finite element method is utilized to model transient heat and fluid flow within an EGS reservoir.…
We introduce a scheme based on machine learning and deep neural networks to model the environmental dependence of the electronic polarizability in insulating materials. Application to liquid water shows that training the network with a…
Transport phenomena in porous media are commonplace in our daily lives. Examples and applications include heat and moisture transport in soils, baking and drying of food stuffs, curing of cement, and evaporation of fuels in wild fires. Of…
The current study aims to develop a non-intrusive Reduced Order Model (ROM) to reconstruct the full temperature field for a large-scale industrial application based on both numerical and experimental datasets. The proposed approach is…
Infrared thermography is a powerful tool for studying liquid-to-vapor phase change processes. However, its application has been limited in the study of vapor-to-liquid phase transitions due to the presence of complex liquid dynamics,…
Using molecular simulation to aid in the analysis of neutron reflectometry measurements is commonplace. However, reflectometry is a tool to probe large-scale structures, and therefore the use of all-atom simulation may be irrelevant. This…
As a contribution to the prediction of the evolutionary behavior of biocomposites in service conditions, this study focused on the simulation of the hydrothermal aging of short natural fiber reinforced composites made by extrusion/injection…
Periodic fin structures are often employed to enhance heat transfer in compact cooling solutions and heat exchangers. Adjoint-based optimization methods are able to further increase the heat transfer by optimizing the fin geometry. However,…
This work expands on our recently introduced low Mach enthalpy method [1] for simulating the melting and solidification of a phase change material (PCM) alongside (or without) an ambient gas phase. The method captures PCM's volume change…
Data assimilation plays a crucial role in numerical modeling, enabling the integration of real-world observations into mathematical models to enhance the accuracy and predictive capabilities of simulations. This approach is widely applied…
Numerical and semi-analytical models are presented for photon-enhanced-thermionic-emission (PETE) devices. The models take diffusion of electrons, inhomogeneous photogeneration, and bulk and surface recombination into account. The…