Related papers: NMR of Confined Fluids: a Numerical Study using CO…
Understanding the dynamics of molecules adsorbed to surfaces or confined to small volumes is a matter of increasing scientific and technological importance. Here, we demonstrate a pulse protocol using individual paramagnetic nitrogen…
Traditional theories of the NMR autocorrelation function for intramolecular dipole pairs assume single-exponential decay, yet the calculated autocorrelation of realistic systems display a rich, multi-exponential behavior resulting in…
We present a carefully designed, systematic study of the angular resolution dependence of simulations with the Prometheus-Vertex neutrino-hydrodynamics code. Employing a simplified neutrino heating-cooling scheme in the Prometheus…
Nuclear magnetic resonance (NMR) concepts are rooted in quantum mechanics, but MR imaging principles are well described and more easily grasped using classical ideas and formalisms such as Larmor precession and the phenomenological Bloch…
Magnetic Resonance Imaging (MRI) has become one of the most important tools to screen humans in medicine, virtually every modern hospital is equipped with an NMR tomograph. The potential of NMR in 3D imaging tasks is by far greater, but…
We have investigated the dynamics of water confined in mesostructured porous silicas (SBA-15, MCM-41) and four periodic mesoporous organosilicas (PMOs) by dielectric relaxation spectroscopy. The influence of water-surface interaction has…
We present a direct numerical simulation method for investigating the dynamics of dispersed particles in a compressible solvent fluid. The validity of the simulation is examined by calculating the velocity relaxation of an impulsively…
Redfield's master equation is solved analytically for a nuclear system with spin $I=7/2$. The solutions of each density matrix element are computed using the irreducible tensor operator basis. The $^{133}$Cs nuclei of the…
We use molecular simulations of an ionic liquid in contact with a range of nanoporous carbons to investigate correlations between ion size, pore size, pore topology and properties of the adsorbed ions. We show that diffusion coefficients…
We investigate finite-size effects on diffusion in confined fluids using molecular dynamics simulations and hydrodynamic calculations. Specifically, we consider a Lennard-Jones fluid in slit pores without slip at the interface and show that…
The properties of constrained fluids have increasingly gained relevance for applications ranging from materials to biology. In this work, we propose a multiscale model using twin neural networks to investigate the properties of a fluid…
Combining microfluidic devices with nuclear magnetic resonance (NMR) has the potential of unlocking their vast sample handling and processing operation space for use with the powerful analytics provided by NMR. One particularly challenging…
Infrared and Raman spectroscopy are widely used for the characterization of gases, liquids, and solids, as the spectra contain a wealth of information concerning in particular the dynamics of these systems. Atomic scale simulations can be…
In this paper, we present a large-scale dynamical survey of the trans-Neptunian region, with particular attention to mean-motion resonances (MMRs). We study a set of 4121 trans-Neptunian objects (TNOs), a sample far larger than in previous…
We study the influence of diffusion on NMR experiments when the molecules undergo random motion under the influence of a force field, and place special emphasis on parabolic (Hookean) potentials. To this end, the problem is studied using…
This work introduces a novel application for predicting the macroscopic intrinsic permeability tensor in deformable porous media, using a limited set of micro-CT images of real microgeometries. The primary goal is to develop an efficient,…
Particle simulations confined by sharp walls usually develop an oscillatory density profile. For some applications, most notably soft matter liquids, this behavior is often unrealistic and one expects a monotonic density climb instead. To…
Immersed boundary methods for computing confined fluid and plasma flows in complex geometries are reviewed. The mathematical principle of the volume penalization technique is described and simple examples for imposing Dirichlet and Neumann…
In this paper we provide a mathematical framework for localized plasmon resonance of nanoparticles. Using layer potential techniques associated with the full Maxwell equations, we derive small-volume expansions for the electromagnetic…
Nowadays, micromagnetic simulations are a common tool for studying a wide range of different magnetic phenomena, including the ferromagnetic resonance. A technique for evaluating reliability and validity of different micromagnetic…