arXiv subjects

David Serantes

Publications and source records attributed to David Serantes.

11 recordsLinked to original sources

arXiv2026

AC Field-driven orientational crossover and energy dissipation in suspended magnetic nanoparticles

By combining the Landau--Lifshitz--Gilbert equation with Brownian rotational dynamics of magnetic nanoparticles (MNPs), we theoretically investigate the role of particle rotation through easy-axis reorientation in magnetic fluid hyperthermia (MFH). Our results reveal a field-driven crossover in the stationary orientation of the easy axes, from predominantly perpendicular to predominantly parallel or antiparallel to the applied field as the field amplitude increases. Although the precise crossover field depends on particle size and excitation frequency, it occurs at approximately $0.5H_k$, where $H_k$ is the uniaxial anisotropy field. These orientational regimes are directly linked to the underlying microscopic dynamics and the associated MFH performance through the occurrence of switching and non-switching hysteresis cycles, predominantly associated with Néel magnetization reversal and Brownian particle rotation, respectively. The relative importance of these dissipation mechanisms also depends on frequency: at $f=1$ MHz, Brownian heating dominates at low field amplitudes, whereas Néel heating dominates at high fields. By contrast, at $f=100$ kHz, both contributions remain comparable over most of the investigated field range.

cond-mat.mtrl-sci↗

arXiv2026

Including nanoparticle shape into macrospin models

We investigate the feasibility of the macrospin approximation to account for the actual shape of soft magnetic nanoparticles (MNPs) with realistic geometries. Specifically focusing on magnetite, we use the superellipsoidal parametrisation to account for a variety of shapes, with a continuous interpolation from spherical to cubic morphologies, as well as different elongations. Our procedure consists of the direct comparison between angular-dependent hysteresis loops obtained by full micromagnetic simulations, with those produced by an extended Stoner-Wohlfarth (SW) model that incorporates both the intrinsic cubic magnetocrystalline anisotropy, and an effective uniaxial contribution arising from the particle elongation. The limits of validity of the macrospin description are approximately 10-60 nm for axial ratios r>1.5, and 20-60 nm for 1.0<r<1.5. These results establish a direct connection between nanoparticle morphology and effective macrospin parameters, demonstrating the suitability of the generalized SW model for describing the magnetic response of realistically shaped MNPs.

cond-mat.mtrl-sci↗

arXiv2026

Tuning field amplitude to minimise heat-loss variability in magnetic hyperthermia

In this work, we theoretically investigate how shape-induced anisotropy dispersion and magnetic field amplitude jointly control both the magnitude and heterogeneity of heating in magnetite nanoparticle assemblies under AC magnetic fields. Using real time Landau-Lifshitz-Gilbert simulations with thermal fluctuations, and a macrospin model that includes both the intrinsic cubic magnetocrystalline anisotropy and a shape-induced uniaxial contribution, we analyze shape-polydisperse systems under clinically and technologically relevant field conditions. We show that for relatively large particles, around 25 to 30 nm, the relative dispersion of local (single-particle) losses exhibits a well-defined minimum at moderate field amplitudes (between 4 to 12 mT), hence identifying an optimal operating regime that minimizes heating heterogeneity while maintaining substantial power dissipation. The position of this critical field depends mainly on particle size and excitation frequency, and only weakly on shape dispersion, offering practical guidelines for improving heating uniformity in realistic MFH systems.

cond-mat.mtrl-sci↗

arXiv2025

Role of nanoparticle shape on the critical size for quasi-uniform ordering: from spheres to cubes through superballs

The equilibrium states of single-domain magnetite nanoparticles (NPs) result from a subtle interplay between size, geometry, and magnetocrystalline anisotropy. In this work, we present a micromagnetic study of shape-controlled magnetite NPs using the superball geometry, which provides a continuous interpolation between spheres and cubes. By isolating the influence of shape, we analyze the transition from quasi-uniform (single-domain) to vortex-like states as particle size increases, revealing critical sizes that depend on the superball exponent p. Our simulations show that faceted geometries promote the stabilization of vortex states at larger sizes, with marked distortions in the vortex core structure. The inclusion of cubic magnetocrystalline anisotropy, representative of magnetite, further lowers the critical size and introduces preferential alignment along the [111] easy axes. For isotropic shapes, the critical size for this transition increases with p, ranging from ~49 nm for spheres to ~56 nm for cubes, in agreement with experimental trends. In contrast, the presence of slight particle elongation increases the critical size and induces another preferential alignment direction. These results demonstrate that even small deviations from sphericity or aspect ratio significantly alter the magnetic ordering and stability of equilibrium magnetic states.

cond-mat.mtrl-sci↗

arXiv2024

Understanding magnetic hyperthermia performance within the "Brezovich criterion": beyond the uniaxial anisotropy description

Careful determination of the heating performance of magnetic nanoparticles under AC fields is critical for magnetic hyperthermia applications. However, most interpretations of experimental data are based on the uniaxial anisotropy approximation, which in first instance can be correlated with particle aspect ratio. This is to say, the intrinsic magnetocrystalline anisotropy is discarded, under the assumption that the shape contribution dominates. We show in this work that such premise, generally valid for large field amplitudes, does not hold for describing hyperthermia experiments carried out under small field values. Specifically, given its relevance for \textit{in vivo} applications, we focus our analysis on the so-called "Brezovich criterion", $H\cdot{f}=4.85\times{10^8}A/m\cdot{s}$. By means of a computational model, we show that the intrinsic magnetocrystalline anisotropy plays a critical role in defining the heat output, determining also the role of shape and aspect ratio of the particles on the SLP. Our results indicate that even small deviations from spherical shape have an important impact in optimizing the heating performance. The influence of interparticle interactions on the dissipated heat is also evaluated. Our results call therefore for an improvement in the theoretical models used to interpret magnetic hyperthermia performance.

cond-mat.mtrl-sci↗

arXiv2023

A device-independent approach to evaluate the heating performance during magnetic hyperthermia experiments: peak analysis and zigzag protocol

Accurate knowledge of the heating performance of magnetic nanoparticles (MNPs) under AC fields is critical for the development of hyperthermia-mediated applications. Usually reported in terms of the specific loss power (SLP) obtained from the temperature variation ($Δ{T}$) vs. time (t) curve, such estimate is subjected to a huge uncertainty. Thus, very different SLP values are reported for the same particles when measured on different equipment/laboratories. This lack of control clearly hampers the further development of MNP-mediated heat-triggered technologies. Here we report a device-independent approach to calculate the SLP value of a suspension of MNPs: the SLP is obtained from the analysis of the peak at the field on/off switch of the $Δ{T}(t)$ curve. The measurement procedure, which itself constitutes a change of paradigm within the field, is based on fundamental physics considerations: specifically to guarantee the applicability of Newton's law of cooling, as i) it corresponds to the ideal scenario in which the temperature profiles of the system during heating and cooling are the same; and ii) it diminishes the role of coexistence of various heat dissipation channels. Such an approach is supported by theoretical and computational calculations to increase the reliability and reproducibility of SLP determination. This is experimentally confirmed, demonstrating a reduction in SLP variation across 3 different devices located in 3 different laboratories. Furthermore, the application of this peak analysis method (PAM) to a rapid succession of field on/off switches that result in a zigzag-like $Δ{T}(t)$, which we term the zigzag protocol, allows evaluating possible variations of the SLP values with time or temperature.

physics.app-ph↗

arXiv2019

Effective macrospin model for $Co_{x}Fe_{3-x}O_{4}$ nanoparticles: decreasing the anisotropy by Co-doping?

$Co$-doping of $Fe_{3}O_{4}$ magnetic nanoparticles is an effective way to tailor their magnetic properties. When considering the two extreme cases of the $Co_{x}Fe_{3-x}O_{4}$ series, i.e. the $x=0$ and $x=1$ values, one finds that the system evolves from a negative cubic-anisotropy energy constant, $K_{C}^{-}<0$, to a positive one, $K_{C}^{+}>0$. Thus, what happens for intermediate $x$-compositions? In this work we present a very simple phenomenological model for the anisotropy, under the \textit{macrospin} approximation, in which the resultant anisotropy is just directly proportional to the amount of $Co$. First, we perform a detailed analysis on a rather ideal system in which the extreme values have the same magnitude (i.e. $|K_{C}^{-}|=|K_{C}^{+}|$) and then we focus on the real $Co_{x}Fe_{3-x}O_{4}$ system, for which $|K_{C}^{+}|\sim 18|K_{C}^{-}|$. Remarkably, the approach reproduces rather well the experimental values of the heating performance of $Co_{x}Fe_{3-x}O_{4}$ nanoparticles, suggesting that our simple approach may in fact be a good representation of the real situation. This gives rise to an intriguing related possibility arises: a $Co$-doping composition should exist for which the effective anisotropy tends to zero, estimated here as 0.05.

cond-mat.mtrl-sci↗

arXiv2018

Scaling the effect of the dipolar interactions on the ZFC/FC curves of random nanoparticle assemblies

Zero Field Cooling (ZFC) and Field Cooling (FC) protocols are commonly used to investigate the properties of magnetic nanoparticle systems. For non-interacting conditions the particle properties are fairly well correlated with the shape of the ZFC/FC curves. However, that is not the case when significant dipolar interparticle interactions (DII) are present, what frequently occurs in experimental samples (e.g. aggregates in biological systems; or the dried powder often used for the ZFC/FC measurements). The purpose of this work is to show how the influence of the DII on the ZFC/FC curves, computed by the volume sample concentration c, can be described in a general way if scaled by the dimensionless parameter c_0 = 2K/M_S^2; where K and M_S are the anisotropy and saturation magnetization constants of the particles, respectively. This scaling parameter, which is straightforwardly derived from the energy equation governing the system, has an analogous meaning to the normalization of the external magnetic field H by the anisotropy field of the particles, H_A = 2K/M_S. We use a Monte Carlo technique to show how apparently different T_B vs. c curves of various particles types (where T_B is the blocking temperature), follow the same trend if scaling c/c_0.

cond-mat.mes-hall↗

arXiv2017

Anisotropic magnetic nanoparticles for biomedicine: bridging frequency separated AC-field controlled domains of actuation

Magnetic nanoparticles constitute potential nanomedicine tools based on the possibility to obtain different responses triggered by safe remote stimulus. However, such richness can be detrimental if the different performances are not accurately differentiated (and controlled). An example of this is the reorientation of magnetic nanoparticles under the influence of AC fields, which can be exploited for either magneto-mechanical actuation (MMA) at low frequencies (tens of Hz); or heat release at large ones (MHz range). While it is clear that Brownian rotation is responsible for MMA, its heating role in the high-frequency regime is not clear. In this work we aim to shed light on this issue, which needs to be well understood for applications in magnetic fluid hyperthermia (MFH) or heat triggered drug release. Using a Brownian dynamics (BD) simulation technique, we have theoretically investigated the contribution of Brownian reversal in disk-shape particles (to enhance the viscous interaction with the environment) over a wide range of frequencies. Our results predict essentially negligible hysteresis losses both in the high- and low-frequency domains, with completely different implications: highly efficient MMA, but negligible MFH performance. Importantly, complementary micromagnetic simulations indicate that the large magnetic torque assumption of the BD simulations is supported by hexagonal-shape disks, up to field amplitudes of the order of 100 Oe. Larger fields would lead to Néel reversal which, noteworthy, predicts significant heating performance. The possibility of switching between the MMA and MFH response by changing the amplitude of the AC field, together with their distinct optimal conditions (large magnetic torque for MMF; large heating for MFH), points to such hexagonal nanodisks as promising nanomedicine agents with double mechanical and heating functionalities.

cond-mat.mes-hall↗

arXiv2013

Learning from Nature to Improve the Heat Generation of Iron-Oxide Nanoparticles for Magnetic Hyperthermia Applications

The performance of magnetic nanoparticles is intimately entwined with their structure, mean size and magnetic anisotropy. Besides, ensembles offer a unique way of engineering the magnetic response by modifying the strength of the dipolar interactions between particles. Here we report on an experimental and theoretical analysis of magnetic hyperthermia, a rapidly developing technique in medical research and oncology. Experimentally, we demonstrate that single-domain cubic iron oxide particles resembling bacterial magnetosomes have superior magnetic heating efficiency compared to spherical particles of similar sizes. Monte Carlo simulations at the atomic level corroborate the larger anisotropy of the cubic particles in comparison with the spherical ones, thus evidencing the beneficial role of surface anisotropy in the improved heating power. Moreover we establish a quantitative link between the particle assembling, the interactions and the heating properties. This knowledge opens new perspectives for improved hyperthermia, an alternative to conventional cancer therapies.

cond-mat.mes-hall↗

arXiv2011

Superparamagnetism and Monte Carlo simulations

We revise the basic concepts beneath the idea of \textit{superparamagnetism} and the suitability of Monte Carlo (MC) simulations to study superparamagnetic (SPM) properties. Starting with the description of the characteristic features of the single-domain SPM entities, their general magnetic-field and temperature-dependent magnetic properties are discussed. Then, the use of a MC technique for studying SPM properties is presented, starting with a general approach to MC methods and introducing the Metropolis algorithm as an adequate tool for reproducing SPM features. Special attention is paid to the role played by the \textit{computational time} MC steps on the simulations.

cond-mat.mes-hall↗