Related papers: Extended MARTINI Water Model for Heat Transfer Stu…
Accurate representation of moist convective sub-grid-scale processes remains a major challenge in global climate models, as traditional parameterization schemes are both computationally expensive and difficult to scale. Neural network (NN)…
We investigate a lattice-fluid model of water, defined on a 3-dimensional body-centered cubic lattice. Model molecules possess a tetrahedral symmetry, with four equivalent bonding arms. The model is similar to the one proposed by Roberts…
We investigate here the ability of a Green-Naghdi model to reproduce strongly nonlinear and dispersive wave propagation. We test in particular the behavior of the new hybrid finite-volume and finite-difference splitting approach recently…
We present a local and transferable machine learning approach capable of predicting the real-space density response of both molecules and periodic systems to external homogeneous electric fields. The new method, SALTER, builds on the…
A new empirical potential for efficient, large scale molecular dynamics simulation of water is presented. The HIPPO (Hydrogen-like Intermolecular Polarizable POtential) force field is based upon the model electron density of a hydrogen-like…
The static and dynamical properties of heavy water have been studied at ambient conditions with extensive Car-Parrinello molecular-dynamics simulations in the canonical ensemble, with temperatures ranging between 325 K and 400 K.…
A new mathematical model for non-equilibrium evaporation/condensation including boiling effect is proposed. A simplified differential-algebraic system of equations is obtained. A code to solve numerically this differential-algebraic system…
Earth system models (ESMs) are the principal tools used in climate science to generate future climate projections under various atmospheric emissions scenarios on a global or regional scale. Generative deep learning approaches are suitable…
We define a lattice model for the interaction of a polymer with water. We solve the model in a suitable approximation. In the case of a non-polar homopolymer, for reasonable values of the parameters, the polymer is found in a non-compact…
We present a numerical scheme for the solution of nonlinear mixed-dimensional PDEs describing coupled processes in embedded tubular network system in exchange with a bulk domain. Such problems arise in various biological and technical…
We show how to simulate numerically both the evolution of 1D quantum systems under dissipation as well as in thermal equilibrium. The method applies to both finite and inhomogeneous systems and it is based on two ideas: (a) a representation…
In practical application, the widespread deployment of diffusion models often necessitates substantial investment in training. As diffusion models find increasingly diverse applications, concerns about potential misuse highlight the…
We have explored the phase behavior of a set of water-like models in slit pores of nanoscopic dimensions. The interaction between water and pore walls mimics the graphite surface. A version of density functional method is used as…
We introduce a new sampling algorithm, the equi-energy sampler, for efficient statistical sampling and estimation. Complementary to the widely used temperature-domain methods, the equi-energy sampler, utilizing the temperature--energy…
Most thermodynamic modeling of hydrogels focused on predicting their final volumes in equilibrium with water, built on Flory's theories for the entropy of mixing and rubber elasticity, and Donnan's equilibrium conditions if polyelectrolyte…
We developed the full magnetohydrodynamical analytical jet model that allows accurate reproducing of a transversal and longitudinal structure for a highly collimated relativistic jets. This model can be used as a setup for convenient…
The optimized linear $\delta$-expansion is applied to the $\lambda \phi^4$ theory at high temperature. Using the imaginary time formalism the thermal mass is evaluated perturbatively up to order $\delta^2$. A variational procedure…
We numerically and experimentally investigate evaporation of a sessile droplet on a heated substrate. We develop a finite element (FE) model in two-dimensional axisymmetric coordinates to solve coupled transport of heat in the droplet and…
An approach to derive low-complexity models describing thermal radiation for the sake of simulating the behavior of electric arcs in switchgear systems is presented. The idea is to approximate the (high dimensional) full-order equations,…
We study energy transport in the integrable $\mathbb Z_3$ parafermionic chain using the partitioning protocol. By exploiting the Bethe-ansatz solution for the thermodynamics of the system, we develop a generalized hydrodynamic description…