Related papers: NMR Spin-Rotation Relaxation and Diffusion of Meth…
Molecular dynamics (MD) simulations are used to investigate $^1$H nuclear magnetic resonance (NMR) relaxation and diffusion of bulk $n$-C$_5$H$_{12}$ to $n$-C$_{17}$H$_{36}$ hydrocarbons and bulk water. The MD simulations of the $^1$H NMR…
In this contribution, we compute the $^1$H nuclear magnetic resonance (NMR) relaxation rate of liquid water at ambient conditions. We are using structural and dynamical information from Coupled Cluster Molecular Dynamics (CCMD) trajectories…
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 NMR relaxation rate $1/T_{1}$ is studied for one-dimensional multicomponent spin-orbital systems. By combining the bosonization techniques and the exact solution of the SU($n$) model, we evaluate the power-law exponent and the…
Muon Spin Rotation/Relaxation ({\mu}SR) is a powerful probe to study diffusion of hydrogen-like particles. One of the most common model to analyze {\mu}SR signals from materials where diffusion occurs, is by using functions derived from the…
This paper proposes an effective diffusion equation method to analyze nuclear magnetic resonance (NMR) relaxation. NMR relaxation is a spin system recovery process, where the evolution of the spin system is affected by the random field due…
Measurements of proton Nuclear Magnetic Resonance (1H NMR) spectra and relaxation and of Muon Spin Relaxation ($\mu^{+}$SR) have been performed as a function of temperature and external magnetic field on two isostructural lanthanide…
The role of internal motions and molecular geometry on $^1$H NMR relaxation times $T_{1,2}$ in hydrocarbons is investigated using MD (molecular dynamics) simulations of the autocorrelation functions for in{\it tra}molecular $G_R(t)$ and…
A general expression is derived for the dipolar NMR spin-lattice relaxation rate $1/T_1$ of a system exhibiting Brownian dynamics in a discrete and finite configuration space. It is shown that this approach can be particularly useful to…
Low-frequency spin dynamics in the S=1/2 antiferromagnetic spin-chain compound \alpha-VO(PO_3)_2 has been studied by means of 31P NMR. The nuclear spin-lattice relaxation rate 1/T_1 at the P site exhibits H^{-1/2} dependence on the applied…
The spin-diffusion constant of the 2D $t-J$ model is calculated for the first time using an analytical approach at high temperatures and a recently-developed numerical method based on the Lanczos technique combined with random sampling in…
The spin-lattice relaxation rate $T_{1}^{-1}$ and NMR spectra of $^1$H in single crystal molecular magnets of Fe8 have been measured down to 15 mK. The relaxation rate $T_1^{-1}$ shows a strong temperature dependence down to 400 mK. The…
Using a novel NMR scheme we observed persistence in 1-D gas diffusion. Analytical approximations and numerical simulations have indicated that for an initially random array of spins undergoing diffusion, the probability p(t) that the…
We present a finite temperature calculation of the transverse spin-diffusion coefficient, $D_\bot$, in a dilute degenerate Fermi gas in the presence of a small external magnetic field, $H$. While the longitudinal diffusion coefficient…
The diffusion of a Janus rod-shaped nanoparticle in a dense Lennard-Jones fluid is studied using molecular dynamics (MD) simulations. The Janus particle is modeled as a rigid cylinder whose atoms on each half-side have different interaction…
We re-examine the calculation of the transverse spin-diffusion coefficient in a dilute degenerate spin-polarized Fermi gas, for the case of s-wave scattering. The special feature of this limit is that the dependence of the spin diffusion…
This paper employs the general time-space fractional diffusion equation to derive correlation time function for analyzing nuclear magnetic resonance (NMR) relaxation. Both the anomalous rotational and translational diffusion are treated.…
Finite-temperature spin dynamics in planar t-J model is studied using the method based on the Lanczos diagonalization of small systems. Dynamical spin structure factor at moderate dopings shows the coexistence of free-fermion-like and…
The relaxation function theory of doped two-dimensional $S=1/2$ Heisenberg antiferromagnetic (AF) system in the paramagnetic state is presented taking into account the hole subsystem as well as both the electron and AF correlations. The…
It is the purpose of this paper to present a computational framework for reliably determining the frequency-dependent intermolecular and intramolecular NMR dipole-dipole relaxation rate of spin $1/2$ nuclei from MD simulations. The approach…