Related papers: NMR of Confined Fluids: a Numerical Study using CO…
We present an open-source software for the simulation of observables in magnetic resonance experiments, including nuclear magnetic/quadrupole resonance NMR/NQR and electron spin resonance (ESR), developed to assist experimental research in…
Atomistic molecular dynamics simulations are used to investigate $^1$H NMR $T_1$ relaxation of water from paramagnetic Gd$^{3+}$ ions in solution at 25$^{\circ}$C. Simulations of the $T_1$ relaxivity dispersion function $r_1$ computed from…
The emergence of new nanoporous materials, based e.g. on 2D materials, offers new avenues for water filtration and energy. There is accordingly a need to investigate the molecular mechanisms at the root of the advanced performances of these…
Multirate characterization of spin responses in nuclear magnetic resonance (NMR) is a promising approach to fingerprinting complex molecules in the presence of multiple relaxation mechanisms. Here we present experimental and theoretical…
Low-dimensional quantum magnets, particularly those with strong spin frustration, are characterized by their notable spin fluctuations. Nuclear magnetic resonance (NMR) serves as a sensitive probe of low-energy fluctuations that offers…
We propose an approach that links density functional theory (DFT) and molecular dynamics (MD) simulation to study fluid behavior in nanopores in contact with bulk (macropores). It consists of two principal steps. First, the theoretical…
Enzyme immobilization plays a crucial role in enhancing the stability and recyclability of enzymes for industrial applications. However, traditional methods for quantifying enzyme loading within porous carriers are limited by time-consuming…
Intermittent fluctuations in the boundary of magnetically confined plasmas are investigated by numerical turbulence simulations of a reduced fluid model describing the evolution of the plasma density and electric drift vorticity in the…
Although continuum theories have been proven quite robust to describe confined fluid flow at molecular length scales, molecular dynamics (MD) simulations reveal mechanistic insights into the interfacial dissipation processes. Most MD…
Nuclear magnetic resonance (NMR) spectroscopy is a powerful technique to study local magnetism in a variety of materials. However, the inherently low sensitivity of conventional inductively detected solid state NMR typically requires a…
Colliding flows are a commonly used scenario for the formation of molecular clouds in numerical simulations. Due to the thermal instability of the warm neutral medium, turbulence is produced by cooling. We carry out a two-dimensional…
Magnetic resonance imaging (MRI) is the method of choice for noninvasive studies of micrometer-scale structures in biological tissues via their effects on the time/frequency-dependent ("restricted") and anisotropic self-diffusion of water.…
The study of strong electron correlations in transition metal oxides with modern microscopy and diffraction techniques unveiled a fascinating world of nanosize textures in the spin, charge, and crystal structure. Examples range from high…
This work presents a novel numerical investigation of the dynamics of free-boundary flows of viscoelastic liquid membranes. The governing equation describes the balance of linear momentum, in which the stresses include the viscoelastic…
Over the last decade, frequency-domain in-situ high-pressure nuclear magnetic resonance (NMR) spectroscopy in diamond anvil cells (DACs) has been employed as a structural and electronic probe of condensed matter systems at pressures well…
In this paper, we will consider the generalized Forchheimer flows for slightly compressible fluids. Using Muskat's and Ward's general form of Forchheimer equations, we describe the fluid dynamics by a nonlinear degenerate parabolic equation…
Diffusion Magnetic Resonance Imaging (dMRI) is an imaging technique with exquisite sensitivity to the microstructural properties of heterogeneous media. The conventionally adopted acquisition schemes involving single pulsed field gradients…
Phase structure of rapidly quenched solid helium samples is studied by the NMR technique. The pulse NMR method is used for measurements of spin-lattice $T_1$ and spin-spin $T_2$ relaxation times and spin diffusion coefficient $D$ for all…
The paper develops a method for the numerical simulation of a free-surface flow of incompressible viscous fluid around a streamlined body. The body is a rigid stationary construction partially submerged in the fluid. The application we are…
In this work we present measurements of permeability, effective porosity and tortuosity on a variety of rock samples using NMR/MRI of thermal and laser-polarized gas. Permeability and effective porosity are measured simultaneously using MRI…