arXiv subjects

Nicolas Moutal

Publications and source records attributed to Nicolas Moutal.

8 recordsLinked to original sources

arXiv2022

Spectral branch points of the Bloch-Torrey operator

We investigate the peculiar feature of non-Hermitian operators, namely, the existence of spectral branch points (also known as exceptional or level crossing points), at which two (or many) eigenmodes collapse onto a single eigenmode and thus loose their completeness. Such branch points are generic and produce non-analyticities in the spectrum of the operator, which, in turn, result in a finite convergence radius of perturbative expansions based on eigenvalues and eigenmodes that can be relevant even for Hermitian operators. We start with a pedagogic introduction to this phenomenon by considering the case of $2\times 2$ matrices and explaining how the analysis of more general differential operators can be reduced to this setting. We propose an efficient numerical algorithm to find spectral branch points in the complex plane. This algorithm is then employed to show the emergence of spectral branch points in the spectrum of the Bloch-Torrey operator $-\nabla^2 - igx$, which governs the time evolution of the nuclear magnetization under diffusion and precession. We discuss their mathematical properties and physical implications for diffusion nuclear magnetic resonance experiments in general bounded domains.

math-ph↗

arXiv2020

On the spectral properties of the Bloch-Torrey equation in infinite periodically perforated domains

We investigate spectral and asymptotic properties of the particular Schrödinger operator (also known as the Bloch-Torrey operator), $-Δ+ i g x$, in infinite periodically perforated domains of $\mathbb R^d$. We consider Dirichlet realizations of this operator and formalize a numerical approach proposed in [J. Phys. A: Math. Theor. 53, 325201 (2020)] for studying such operators. In particular, we discuss the existence of the spectrum of this operator and its asymptotic behavior as $g\to \infty$.

math-ph↗

arXiv2020

Diffusion NMR in periodic media: efficient computation and spectral properties

The Bloch-Torrey equation governs the evolution of the transverse magnetization in diffusion magnetic resonance imaging, where two mechanisms are at play: diffusion of spins (Laplacian term) and their precession in a magnetic field gradient (imaginary potential term). In this paper, we study this equation in a periodic medium: a unit cell repeated over the nodes of a lattice. Although the gradient term of the equation is not invariant by lattice translations, the equation can be analyzed within a single unit cell by replacing a continuous-time gradient profile by narrow pulses. In this approximation, the effects of precession and diffusion are separated and the problem is reduced to the study of a sequence of diffusion equations with pseudo-periodic boundary conditions. This representation allows for efficient numerical computations as well as new theoretical insights into the formation of the signal in periodic media. In particular, we study the eigenmodes and eigenvalues of the Bloch-Torrey operator. We show how the localization of eigenmodes is related to branching points in the spectrum and we discuss low- and high-gradient asymptotic behaviors. The range of validity of the approximation is discussed; interestingly the method turns out to be more accurate and efficient at high gradient, being thus an important complementary tool to conventional numerical methods that are most accurate at low gradients.

physics.comp-ph↗

arXiv2019

The Kärger vs bi-exponential model: theoretical insights and experimental validations

We revise three common models accounting for water exchange in pulsed-gradient spin-echo measurements: a bi-exponential model with time-dependent water fractions, the Kärger model, and a modified Kärger model designed for restricted diffusion, e.g. inside cells. The three models are compared and applied to experimental data from yeast cell suspensions. The Kärger model and the modified Kärger model yield very close results and accurately fit the data. The bi-exponential model, although less rigorous, has a natural physical interpretation and suggests a new experimental modality to estimate the water exchange time.

physics.med-ph↗

arXiv2019

Probing surface-to-volume ratio of an anisotropic medium by diffusion {NMR} with general gradient encoding

Since the seminal paper by Mitra et al., diffusion MR has been widely used in order to estimate surface-to-volume ratios. In the present work we generalize Mitra's formula for arbitrary diffusion encoding waveforms, including recently developed q-space trajectory encoding sequences. We show that surface-to-volume ratio can be significantly misestimated using the original Mitra's formula without taking into account the applied gradient profile. In order to obtain more accurate estimation in anisotropic samples we propose an efficient and robust optimization algorithm to design diffusion gradient waveforms with prescribed features. Our results are supported by Monte Carlo simulations.

physics.med-ph↗

arXiv2019

Diffusion-limited reactions in dynamic heterogeneous media

Most biochemical reactions in living cells rely on diffusive search for target molecules or regions in a heterogeneous overcrowded cytoplasmic medium. Rapid re-arrangements of the medium constantly change the effective diffusivity felt locally by a diffusing particle and thus impact the distribution of the first-passage time to a reaction event. Here, we investigate the effect of these dynamic spatio-temporal heterogeneities onto diffusion-limited reactions. We describe a general mathematical framework to translate many results for ordinary homogeneous Brownian motion to heterogeneous diffusion. In particular, we derive the probability density of the first-passage time to a reaction event and show how the dynamic disorder broadens the distribution and increases the likelihood of both short and long trajectories to reactive targets. While the disorder slows down reaction kinetics on average, its dynamic character is beneficial for a faster search and realization of an individual reaction event triggered by a single molecule.

cond-mat.stat-mech↗

arXiv2019

Localization regime in diffusion NMR: theory and experiments

In this work we investigate the emergence of the localization regime for diffusion in various geometries: inside slabs, inside cylinders and around rods arranged on a square array. At high gradients, the transverse magnetization is strongly attenuated in the bulk, whereas the macroscopic signal is formed by the remaining magnetization localized near boundaries of the sample. As a consequence, the signal is particularly sensitive to the microstructure. Our theoretical analysis relies on recent mathematical advances on the study of the Bloch-Torrey equation. Experiments were conducted with hyperpolarized xenon-129 gas in 3D-printed phantoms and show an excellent agreement with numerical simulations and theoretical predictions. Our mathematical arguments and experimental evidence indicate that the localization regime with a stretched-exponential decay of the macroscopic signal is a generic feature of diffusion NMR that can be observed at moderately high gradients in most NMR scanners.

physics.med-ph↗

arXiv2019

Diffusion across semi-permeable barriers: spectral properties, efficient computation, and applications

We present an efficient method to compute the eigenvalues and eigenmodes of the diffusion operator $\nabla(D\nabla)$ on one-dimensional heterogeneous structures with multiple semi-permeable barriers. This method allows us to calculate the diffusion propagator and related quantities such as diffusion MRI signal or first exit time distribution analytically for regular geometries and numerically for arbitrary ones. The effect of the barriers and the transition from infinite permeability (no barriers) to zero permeability (impermeable barriers) are investigated.

physics.comp-ph↗