Related papers: A Metadynamics-Based Framework for Free Energy Sur…
Applications of metallic metamaterials have generated significant interest in recent years. Electromagnetic behavior of metamaterials in the optical range is usually characterized by a local-linear response. In this article, we develop a…
This short article describes flow parameters, numerical method, and animations of the fluid dynamics video "LES of an Inclined Jet into a Supersonic Turbulent Crossflow"…
Micro emulsions (MEs) offer an exceptionally broad spectrum of applications covering sensing, electrosynthesis, supercapacitors and redox-flow batteries. Herein, we develop the theory for a sophisticated electrochemical characterizion of…
Imaging the structure of molecules in transient excited states remains a challenge due to the extreme requirements for spatial and temporal resolution. Ultrafast electron diffraction from aligned molecules (UEDAM) provides atomic resolution…
The dynamics of a freely diffusing particle in a two-dimensional channel with cross sectional area $A(x)$, can be effectively described by a one-dimensional diffusion equation under the action of a potential of mean force $U(x)=-k_BT\ln…
Flexible intelligent metasurfaces (FIMs) show great potential for improving the wireless network capacity in an energy-efficient manner. An FIM is a soft array consisting of several low-cost radiating elements. Each element can…
An accelerated analysis method for non-uniform metasurfaces in FDTD is presented for the first time. The non-uniform metasurfaces are modeled by a distribution of susceptibilities, homogenized parameters. Those susceptibilities are…
We present a numerical method for Large Eddy Simulations (LES) of compressible two-phase flows. The method is validated for the flow in a micro channel with a step-like restriction. This setup is representative for typical cavitating…
Deep generative models offer a powerful alternative to conventional channel estimation by learning complex channel distributions. By integrating the rich environmental information available in modern sensing-aided networks, this paper…
We present a new method for introducing stable non-equilibrium concentration gradients in molecular dynamics simulations of mixtures. This method extends earlier Reverse Non-Equilibrium Molecular Dynamics (RNEMD) methods which use kinetic…
Specialized Monte Carlo simulations and the moment free energy (MFE) method are employed to study liquid-gas phase equilibria in size-disperse fluids. The investigation is made subject to the constraint of fixed polydispersity, i.e. the…
We discuss a dynamical theory for nematic liquid crystals describing the stage of evolution in which the hydrodynamic fluid motion has already equilibrated and the subsequent evolution proceeds via diffusive motion of the orientational…
The Beam Energy Scan Theory (BEST) collaboration's equation of state (EoS) incorporates a 3D Ising model critical point into the Quantum Chromodynamics (QCD) equation of state from lattice simulations. However, it contains 4 free parameters…
Fluid-Structure Interaction (FSI) can be investigated by means of non-linear Finite Element Models (FEM), suitable to capture large deflections of structural parts interacting with fluids, and Computational Fluid Dynamics (CFD). High…
Over the last two decades, Electron Energy Loss Spectroscopy (EELS) imaging with a scanning transmission electron microscope (STEM) has emerged as a technique of choice for visualizing complex chemical, electronic, plasmonic, and phononic…
We report a study on the static and dynamic properties of several liquid 5$d$ transition metals at thermodynamic conditions near their respective melting points. This is performed by resorting to ab initio molecular dynamics simulations in…
This paper proposes a two-stage framework named ST-PAD for spatio-temporal fluid dynamics modeling in the field of earth sciences, aiming to achieve high-precision simulation and prediction of fluid dynamics through spatio-temporal physics…
In a recent publication we established an analogy between the free energy of a hard sphere system and the energy of an elastic network [1]. This result enables one to study the free energy landscape of hard spheres, in particular to define…
Diffusion-based samplers learn to sample complex, high-dimensional distributions using energies or log densities alone, without training data. Yet, they remain impractical for molecular sampling because they are often slower than molecular…
We present a physics-based compact model for two-dimensional (2D) field-effect transistors (FETs) based on monolayer semiconductors such as MoS2. A semi-classical transport approach is appropriate for the 2D channel, enabling simplified…