Related papers: Extended MARTINI Water Model for Heat Transfer Stu…
Patterning the wettability of solid surfaces is a successful strategy to control the dropwise condensation of vapor onto partially wetting solid surfaces. We followed the condensation of water vapor onto electrowetting-functionalized…
The reported research work presents numerical studies validated by experimental results of a flat micro heat pipe with sintered copper wick structure. The objectives of this project are to produce and demonstrate the efficiency of the…
Simulating water accurately has been a challenge due to the complexity of describing polarization and intermolecular charge transfer. Quantum mechanical (QM) electronic structures provide an accurate description of polarization in response…
Distributed energy resources are better for the environment but may cause transformer overload in distribution grids, calling for recovering meter-transformer mapping to provide situational awareness, i.e., the transformer loading. The…
Nanopore desalination technology hinges on high water-permeable membranes which, at the same time, block ions efficiently. In this study, we consider a recently synthesized [Science 363, 151-155 (2019)] phenine nanotube (PNT) for water…
In this work, we develop adaptive schemes using goal-oriented error control for a highly nonlinear flow temperature model with temperature dependent density. The dual-weighted residual method for computing error indicators to steer mesh…
Various simulations of a GaN HEMT are used to study the behaviors of two different energy-transport models: the Fermi kinetics transport model and a hydrodynamics transport model as it is implemented in the device simulator Sentaurus from…
A radiative transfer method for the treatment of molecular lines is presented. We apply this method to previous SWAS and ISO observations of water vapor in the source S140 in order to make models to plan for, and to interpret, HIFI data.…
New technologies such as Rectified Flow and Flow Matching have significantly improved the performance of generative models in the past two years, especially in terms of control accuracy, generation quality, and generation efficiency.…
We are motivated to model a heat transfer to a multiple layer regime and their optimization for heat energy resources. Such a problem can be modeled by a porous media with different phases (liquid and solid). The idea arose of a geothermal…
Integrated tempering sampling (ITS) method is an approach to enhance the sampling over a broad range of energies and temperatures in computer simulations. In this paper, a new version of integrated tempering sampling method is proposed. In…
A one-dimensional, dynamic, two-phase, isothermal model of proton exchange membrane fuel cell systems using a finite-difference approach has been developed. This model balances the simplicity of lumped-parameter models with the detailed…
The two-dimensional (2D) Hubbard model has long attracted interest for its rich phase diagram and its relevance to high-$T_c$ superconductivity. However, reliable finite-temperature studies remain challenging due to the exponential…
The paper presents a versatile framework for solids which undergo nonisothermal processes with irreversibly changing microstructure at large strains. It outlines rate-type and incremental variational principles for the full thermomechanical…
We show how a ground state trial wavefunction of a Fermi liquid can be systematically improved introducing a sequence of renormalized coordinates through an iterative backflow transformation. We apply this scheme to calculate the ground…
The rapid proliferation of Deep Neural Networks (DNNs) is driving a surge in model watermarking technologies, as the trained models themselves constitute valuable intellectual property. Existing watermarking approaches primarily focus on…
Electroporation is a complex, iterative, and nonlinear phenomenon that is often studied by numerical simulations. In recent years, tissue electroporation simulations have been performed using static models. However, the results of a static…
Simulated tempering (ST) has attracted a great deal of attention in the last years, due to its capability to allow systems with complex dynamics to escape from regions separated by large entropic barriers. However its performance is…
We explored the composition dependence of a rather comprehensive set of properties of liquid water-ethanol mixtures by using the isobaric-isothermal molecular dynamics computer simulations. The united atom non-polarizable model from the…
An approximate treatment of exchange in finite-temperature path integral Monte Carlo simulations for fermions has been proposed. In this method, some of the fine details of density matrix due to permutations have been smoothed over or…