Anisotropic Contributions Research Articles

Current-induced resonance in long conductive ferromagnetic nano-wires

Ferromagnetic nanowires are receiving attention as functional elements in technologically important applications in microwave devices, spintronics, and biomedicine. They can be readily fabricated over large areas using electrodeposition, and their magnetic response can be tuned through control of their size, geometry, and composition. Additionally, their geometrical properties provide a stable spin structure for manipulating magnetization dynamics using spin-polarized currents for spintronic applications. Structural analysis of individual cobalt nanowires indicated magnetocrystalline anisotropy predominantly perpendicular to the nanowire axis. This significantly alters the micromagnetic energy landscape in the nanowire and breaks the circular symmetry of the dynamic magnetization and resonance modes which is often assumed in theory. In this article, we investigate, using finite-element micromagnetic–electromagnetic simulations, the effect of the variation of magnetocrystalline anisotropy angle on the dynamic magnetization in the nanowire and leads to a shift in the resonance frequencies and modes. The resonance is induced by a pulsed electric current applied along the nanowire axis and simulations include the contributions of magnetocrystalline anisotropy, exchange, dipolar fields, and eddy currents. Understanding the magnetization dynamics induced by electric currents and spin-wave modes in metallic magnetic nanowires and their size and anisotropy angle dependence is important for the design and tuning of magnetic nanowire arrays and devices.

Structural and magnetic properties of high magnetization FexCo100-x nanoparticles investigated at the nanoscale: Unveiling the origin of the observed anisotropy

In this work the authors have performed the synthesis of FexCo100-x (0<x<100) alloy nanoparticles (NPs) with different compositions, as well as pure Fe and Co NPs for comparison, by a chemical reduction technique. The subsequent characterization demonstrated excellent quality NPs with the expected bcc cubic (for Fe and FeCo alloys) and hcp hexagonal (for Co NPs) structures showing a room temperature magnetization as high as 235 emu/g for the Fe66Co34 composition alloy. Nevertheless, this soft magnetic character is accompanied by determined values of effective anisotropy as high as 2 MJ/m3. Aiming to deep into the properties of these FeCo alloys as well as to unveil the origin of that observed high anisotropy value, we now present an extensive study at the nanoscale of the synthesized Fe, Co and FexCo100-x alloy nanoparticles by using nuclear techniques as neutron powder diffraction, EXAFS and XANES spectroscopies. Mössbauer spectroscopy revealed that the FeCo alloys are in an A2 disordered solid solution. The obtained results, combined with AFM/MFM images, have demonstrated that despite the cubic bcc structure observed for all FeCo alloys (in excellent concordance with the pure Fe one) the NPs show a "flaky" shape of 50–60 nm size (diameter) but only 3–4 nm thickness, giving rise to a strong shape anisotropy contribution to the observed total effective anisotropy.

Micromagnetic behavior of permalloy (Ni80Fe20) nanodots as a function of aspect ratio

We present the results of computational micromagnetic simulations at zero temperature under free boundary conditions for Permalloy nanodots. The nanodot’s diameter (D) was varied from 20 to 120 nm, and the thickness (t) ranged from 4 to 120 nm, which allows to obtain different aspect ratios t/D. Simulations were conducted using the Ubermag platform and the Object Oriented Micromagnetic Framework (OOMMF). The hysteresis loops exhibited a strong dependence on the aspect ratio (t/D), which was evident in the narrowing of the hysteresis curves as this ratio approached unity. This phenomenon led to the formation of nucleation and annihilation fields, resulting in the formation of vortex-type magnetic textures with a central core capable of moving within the basal plane. Furthermore, the time dynamics at each step of the magnetic field were addressed by solving the time-dependent Landau–Lifshitz–Gilbert differential equation, where the system’s Hamiltonian is defined in terms of magnetocrystalline anisotropy, demagnetization, exchange, and Zeeman contributions. Energy diagrams illustrate the competition among these energies, attempting to attain their equilibrium state, thereby creating a complex energy landscape. Moreover, they operate on different orders of magnitude, whence their relative importance is discussed. Final results are summarized in a proposal of phase diagrams.

Nonlinear wave propagation in large extra spatial dimensions and the blackbody thermal laws

Abstract Nonlinear wave propagation in large extra spatial dimensions (on and above d = 2) is investigated in the context of nonlinear electrodynamics theories that depend exclusively on the invariant F ( = − ( 1 / 4 ) F μ ν F μ ν ) . In this vein, we consider propagating waves under the influence of external uniform electric and magnetic fields. Features related to the blackbody radiation in the presence of a background constant electric field such as the generalization of the spectral energy density distribution and the Stefan–Boltzmann law are obtained. Interestingly enough, anisotropic contributions to the frequency spectrum appear in connection to the nonlinearity of the electromagnetic field. In addition, the long wavelength regime and Wien’s displacement law in this situation are studied. The corresponding thermodynamics quantities at thermal equilibrium, such as energy, pressure, entropy, and heat capacity densities are contemplated as well.

Energy and Structure of the Terbium Domain Wall

The domain wall energy is calculated by the balance between exchange, magnetocrystalline anisotropy and magnetoelastic energy contributions. The described method is theoretical and is based on experimental measurements of neutron inelastic scattering. The domain wall energy is determined by both finding the minimum of energy and deriving the energy and setting it to zero. The determination was undertaken for the discrete case, and this means that the calculation was performed for each plane or atomic layer. This is in contrast with the Bloch wall, which assumes continuum mean. The energy of the Lilley domain wall was discussed. Most of the energy of the Bloch wall was comprised inside the Lilley distance (above 99.9% of the energy). Antiferromagnetic interactions strongly decreased the domain wall energy. The negative terms due to antiferromagnetism must be considered in the Hamiltonian describing the exchange energy terms. The domain wall energy and width of terbium were reassessed. The values varied between 83.7 and 95.2 Kelvin (10.3 to 11.2 ergs/cm2). The domain width was estimated to be 57 Angstroms. It was found that a significant part of the total domain wall energy was concentrated on the planes at the center of the domain wall.

The SZ effect with anisotropic distributions and high energy electrons

Future observations of the Sunyaev-Zeldovich (SZ) effect promise ever improving measurements in terms of both sensitivity and angular resolution. As such, it is increasingly relevant to model `higher-order' contributions to the SZ effect. This work examines the effects of high-energy non-thermal electron distributions and those of anisotropic electron and photon distributions on the SZ signals. Analytic forms of the anisotropic scattering kernels for photons and electrons have been derived and investigated. We present a method for determining the anisotropic contributions through a spherical harmonic decomposition to arbitrary angular multipoles, and discuss the behaviour of these scattering kernels. We then carry out an exploration of various simplistic models of high energy non-thermal electron distributions, and examine their anisotropic behaviour. The kinematic SZ in the relativistic regime is studied using the kernel formulation allowing us to clarifying the role of kinematic corrections to the scattering optical depth. We finally present a release of an updated and refined version of SZpack including a new integrated Python interface and new modules for the calculation of various SZ signals, including those described in this paper.

Exploring High-Spin Color Centers in Wide Band Gap Semiconductors SiC: A Comprehensive Magnetic Resonance Investigation (EPR and ENDOR Analysis).

High-spin defects (color centers) in wide-gap semiconductors are considered as a basis for the implementation of quantum technologies due to the unique combination of their spin, optical, charge, and coherent properties. A silicon carbide (SiC) crystal can act as a matrix for a wide variety of optically active vacancy-type defects, which manifest themselves as single-photon sources or spin qubits. Among the defects, the nitrogen-vacancy centers (NV) are of particular importance. This paper is devoted to the application of the photoinduced electron paramagnetic resonance (EPR) and electron-nuclear double resonance (ENDOR) techniques at a high-frequency range (94 GHz) to obtain unique information about the nature and properties of NV defects in SiC crystal of the hexagonal 4H and 6H polytypes. Selective excitation by microwave and radio frequency pulses makes it possible to determine the microscopic structure of the color center, the zero-field splitting constant (D = 1.2-1.3 GHz), the phase coherence time (T2), and the values of hyperfine (≈1.1 MHz) and quadrupole (Cq ≈ 2.45 MHz) interactions and to define the isotropic (a = -1.2 MHz) and anisotropic (b = 10-20 kHz) contributions of the electron-nuclear interaction. The obtained data are essential for the implementation of the NV defects in SiC as quantum registers, enabling the optical initialization of the electron spin to establish spin-photon interfaces. Moreover, the combination of optical, microwave, and radio frequency resonant effects on spin centers within a SiC crystal shows the potential for employing pulse EPR and ENDOR sequences to implement protocols for quantum computing algorithms and gates.

Secondary phases characterization by SANS and XAS of an ODS ferritic steel after thermal aging at 873 K

An ODS steel with nominal composition Fe–14Cr–2W–0.4Ti-0.3Y2O3 (wt.%) was produced by mechanical alloying and compacted by hot isostatic pressing (HIP) followed by hot cross rolling (HCR). To check the effects of thermal aging at relevant temperatures of operation in fusion power plants, the alloy was thermally aged at 873 K for 2000 h. In this work, small-angle neutron scattering (SANS) and X-ray absorption spectroscopy (XAS) techniques are used for the advanced characterization of secondary phases and the oxide nanoparticle dispersion. SANS results show that the oxide nanoparticles remain stable after the thermal aging treatment. Composition of the oxide nanoparticles was identified as Y2TiO5 or Y2Ti2O7 by SANS, while non-stoichiometry was found by XAS analysis. Laves phase precipitation after the thermal aging treatment is further confirmed by SANS, from the magnetic anisotropic contribution to the scattering intensity associated to this metallic phase, and by XANES.

Intergranular stress and plastic strain formation during laser scanning of additively manufactured stainless steel: An experimentally-driven thermomechanical simulation study

A novel experiment-driven modelling and simulation approach is proposed to study the formation of intergranular stresses and plastic strains during laser scanning of additively manufactured 316L stainless steel. Recently, laser scanning experiments were performed using a unique coupling between a continuous-wave laser and a scanning electron microscope. These experiments form the basis for the development of a thermo-elasto-viscoplastic polycrystal model endowed with the minimum necessary physics of the problem in order to facilitate simulating sufficiently large domains to obtain reasonable stress magnitudes. The case of a single laser line scan performed in vacuum is analyzed in detail. Polar dislocation density magnitudes and distribution predicted from the simulation are compared with those measured experimentally. Results reveal that for 93% of the grains in the lasered zone, a statistical measure of the predicted polar dislocation density (Nye’s) tensor lies within a factor of 2 (higher or lower) of the experimental one; this result sets a benchmark for future experiment-simulation comparisons. Subsequent investigation studies the origin of the local residual stresses and plastic strains. On the lasered surface, the grain surface-averaged normal residual stress component and plastic strain component along the scan direction reaches a value ∼1.7GPa and 0.04, respectively. The contribution of elastic anisotropy, plastic heterogeneity and strengthening due to microstructure refinement after laser scanning on the formation of stresses and plastic strains is studied in detail.

On the role of tissue mechanics in fluid–structure interaction simulations of patient‐specific aortic dissection

AbstractModeling an aortic dissection represents a particular challenge from a numerical perspective, especially when it comes to the interaction between solid (aortic wall) and liquid (blood flow). The complexity of patient‐specific simulations requires a variety of parameters, modeling assumptions and simplifications that currently hinder their routine use in clinical settings. We present a numerical framework that captures, among other things, the layer‐specific anisotropic properties of the aortic wall, the non‐Newtonian behavior of blood, patient‐specific geometry, and patient‐specific flow conditions. We compare hemodynamic indicators and stress measurements in simulations with increasingly complex material models for the vessel tissue ranging from rigid walls to anisotropic hyperelastic materials. We find that for the present geometry and boundary conditions, rigid wall simulations produce different results than fluid–structure interaction simulations. Considering anisotropic fiber contributions in the tissue model, stress measurements in the aortic wall differ, but shear stress‐based biomarkers are less affected. In summary, the increasing complexity of the tissue model enables capturing more details. However, an extensive parameter set is also required. Since the simulation results depend on these modeling choices, variations can lead to different recommendations in clinical applications.

Non‐Oxidative Mechanism in Oxygen‐Based Magneto‐Ionics

AbstractThe Ta/CoFeB/Pt/MgO/HfO2 system is investigated, whose magnetic anisotropy can be controlled through magneto‐ionic gating, using both ionic liquid and solid state gating, via a non‐oxidative mechanism combining reversible and irreversible gating effects. Analysis of X‐ray absorption spectroscopy at the Co and Fe edges reveals no indications of oxidation after gating, while a reversible change at the oxygen K edge suggests the involvement of oxygen species in the magneto‐ionic process. In addition, X‐ray diffraction measurements reveal that gating can irreversibly increase the crystalline volume of MgO, through an increase in the MgO/Mg(OH)2 ratio. This is in line with measurements in solid state devices showing that in a series of 150 gating cycles a reversible effect combines with a progressive increase in the strength of the perpendicular magnetic anisotropy contribution that saturates after extensive cycling. Consequently, the observed gate‐induced changes in magnetic anisotropy can be attributed to the combined effects of Mg(OH)2 dehydration into MgO (irreversible) and most likely a gentle reordering of oxygen species at the CoFeB interface (reversible) leading to a non‐oxidative magneto‐ionic mechanism. This study provides valuable insights into the underlying mechanisms governing the complex magneto‐ionic phenomena, including the coexistence of both reversible and irreversible effects, and a pathway to voltage‐control of crystalline order in spintronics materials.

Strain-induced magnetic anisotropy of multi-domain epitaxial EuPd2 thin films

Europium intermetallic compounds show a variety of different ground states and anomalous physical properties due to the interactions between the localized 4f electrons and the delocalized electronic states. Europium is also the most reactive of the rare earth metals which might be the reason why very few works are concerned with the properties of Eu-based thin films. Here we address the low-temperature magnetic properties of ferromagnetic EuPd2 thin films prepared by molecular beam epitaxy. The epitaxial (111)-oriented thin films grow on MgO (100) with eight different domain orientations. We analyze the low-temperature magnetic hysteresis behavior by means of micromagnetic simulations taking the multi-domain morphology explicitly into account and quantify the magnetic crystal anisotropy contribution. By ab initio calculations we trace back the microscopic origin of the magnetic anisotropy to thin film-induced uniform biaxial strain.

A new variant of the inherent strain method for the prediction of distortion in powder bed fusion additive manufacturing processes

A new variant of the inherent strain (IS) method is proposed to predict component distortion in powder bed fusion additive manufacturing (AM) that addresses some of the shortcomings of the previous work by accounting for both the compressive plastic strain formed adjacent to the melt pool and the thermal strain associated with the changing macroscale thermal field in the component during fabrication. A 3D thermomechanical finite element (FE) model using the new approach is presented and applied to predict the distortion of a component fabricated in an electron beam powder bed fusion (EB-PBF) machine. To improve computational efficiency, each computational layer is comprised of six powder layers. A time-averaged volumetric heat input based on beam voltage and current data obtained from the EB-PBF system was calculated and applied to each computational layer, consistent with the process timing. The inherent strains were applied per computational layer as an initial anisotropic contribution to the thermal strain at the time of activation of each computational layer, resulting in the sequential establishment of static equilibrium during component fabrication, which accounts for the variation in the local macroscale thermal field. The thermal field and distortion predicted by the thermomechanical model were verified using experimentally derived data. The model predicts in-plane compressive strains in the order of 10−3. Differences in the inherent strain were found at different locations in the component, consistent with differences in the macroscale thermal field. The proposed method is general and may also be applied to the laser powder bed fusion (L-PBF) process.

Indirect interaction of 13C nuclear spins in diamond with NV centers: simulation of the full J-coupling tensors

Recent experiments on the detection, imaging, characterization and control of multiple 13C nuclear spins, as well as of individual 13C–13C dimers in diamond using a single nitrogen-vacancy (NV) center as a sensor, along with the impressive progress in increasing the spectral resolution of such sensor (up to sub-Hertz), have created a request for detailed knowledge of all possible spin interactions in the studied systems. Here, we focus on the indirect interaction (J-coupling) of 13C nuclear spins in diamond, which was not previously taken into account in studies of NV centers. Using two different levels of the density functional theory (DFT), we simulated the full tensors nJKL (K, L = X, Y,Z), describing n-bond J-coupling of nuclear spins 13C in H-terminated diamond-like clusters C10H16 (adamantane) and C35H36, as well as in the cluster C33[NV−]H36 hosting the negatively charged NV− center. We found that, in addition to the usually considered isotropic scalar nJ-coupling constant, the anisotropic contributions to the nJ-coupling tensor are essential. We also showed that the presence of the NV center affects the J-coupling characteristics, especially in the case of 13C–13C pairs located near the vacancy of the NV center.

Anisotropic structural carbon skeleton decorated with Co nanoparticles towards oxygen evolution reaction

Hierarchical carbon skeletons derived from natural wood can be employed as the substrates to fabricate self-supported catalysts. The typically three sections (cross section, radial section, and tangential section) of wood would significantly affect the electrocatalytic performance. Therefore, the correlations between anisotropy structure of wood derived hierarchical carbon skeletons and oxygen evolution reaction (OER) performances was systematically investigated. The cross-sectional wood-derived carbon decorated with Co nanoparticles requires an overpotential of 370 mV to deliver 50 mA cm−2 superior to those of radial-sectional and tangential-sectional counterparts. The cross-section of wood derived carbon skeleton possesses higher content of Co nanoparticles, which is accounted for the enhanced OER catalytic activity. This work highlights the critical contribution of anisotropy of carbon skeletons in promoting the OER properties and provides a new paradigm for designing advanced electrocatalysts.

Enhancing the single-molecule magnetic performance of β-diketonate Dy(III) complexes by modulating the coordination microenvironment and magnetic interaction: from a mononuclear to a dinuclear structure.

Based on a β-diketonate ligand, a mononuclear Dy(III) complex, [Dy(dmpd)3(bpy)] (1) (dmpd = 4,4-dimethyl-1-phenylpentane-1,3-dione, bpy = 2,2'-dipyridyl), of [DyN2O6] type has been synthesized with a capping nitrogen-containing coligand. Then, a dual capping coligand 2,2'-bipyrimidine (bmp) is introduced to be a bridge to link two β-diketonate-Dy(III) motifs, leading to a new dinuclear Dy(III) complex, [Dy2(dmpd)6(bmp)] (2). Dy(III) centers in both complexes feature an N2O6 octacoordinated environment with an approximate square-antiprism geometry (D4d). Without a dc field, the SMM behaviour is absent in complex 1, but can be clearly observed in dinuclear 2 with a Ueff of 87.29 K. The significantly improved magnetism arising in 2 is mainly due to the modulation of the coordination environment around the Dy(III) ions and the superexchange magnetic interactions inside the dinuclear units, thus allowing for the effective inhibition of the quantum tunneling of magnetization at low temperatures and promotion of the uniaxial magnetic anisotropy. For 1, a diamagnetic Y(III) analogue [Y(dmpd)3(bpy)] (3) and diluted sample 1@Y were constructed to further perform the dilution experiment, coupled with theoretical calculations further supporting that the synergetic contributions of intermolecular dipole-dipole interactions, intramolecular coupling and uniaxial magnetic anisotropy cause the enhancement of dynamic magnetic relaxation.

Magnetic and Magnetostrictive Properties of Sol-Gel-Synthesized Chromium-Substituted Cobalt Ferrite.

Chromium (Cr)-doped cobalt ferrite nanoparticles were synthesized using a sol-gel autocombustion method, with the chemical formula CoCrxFe2xO4. The value of x ranged from 0.00 to 0.5 in 0.1 increments. X-ray diffraction analysis confirmed the development of highly crystalline cubic spinel structures for all samples, with an average crystallite size of approximately 40 to 45 nm determined using the Scherrer equation. Pellets were prepared using a traditional ceramic method. The magnetic and magnetostrictive properties of the samples were tested using strain gauge and VSM (vibrating sample magnetometer) techniques. The results of the magnetic and magnetostrictive tests showed that the chromium-substituted cobalt ferrites exhibited higher strain derivative magnitudes than pure cobalt ferrite. These findings indicated that the introduction of chromium into the cobalt ferrite structure led to changes in the material's magnetic properties. These changes were attributed to anisotropic contributions, resulting from an increased presence of Co2+ ions at B-sites due to the chromium substitutions. In summary, this study concluded that introducing chromium into the cobalt ferrite structure caused alterations in the material's magnetic properties, which were explained by changes in the cationic arrangement within the crystal lattice. This study successfully explained these alterations using magnetization and coercivity data and the probable cationic dispersion.

Nematic phases from nearly spherical mesogens: applying the approximate non-conformal (ANC) theory

A coarser model for the Gay-Berne mesogen is developed using the interaction potential from the Approximate Non-Conformal (ANC) theory. The ANC potential contains both repulsive and attractive contributions. We modify intermolecular attractions by conditioning them with a Hess-Su orientation-dependent term. This imparts an anisotropic contribution to the energy of the system. The softness parameter s of the ANC potential is probed to qualitatively identify a threshold capable of sustaining a nematic phase. We construct phase diagrams for each value of s from molecular dynamics simulations and characterise bulk samples to outline phase regions. We find that a softness parameter or higher supports the emergence of a nematic phase. The stability of the nematic region is enhanced as , corresponding to the conventional Lennard-Jones interaction. The stability of the nematic phase for nearly-spherical mesogens with increasing s leads to a gradual loss in spherical symmetry despite no imposed shape anisotropy. Thus, the energy anisotropy becomes more pronounced and is capable of prompting the emergence of the nematic phase in this model.

Semiclassical calculation of the rate constants for the processes CO(v) + O2(u = 0) → CO(v − 1) + O2(u = 1)

Vibration-to-vibration (VV′) exchanges of excited CO with unexcited O2 are studied within the semiclassical coupled state method. For these molecules, the van der Waals component of the multidimensional potential energy surface has been imported from an accurate surface proposed recently for N2-O2 system (isoelectronic to CO-O2), while the anisotropic electrostatic contributions have been properly formulated. The VV′ rate constants are calculated for temperatures 100–1100 K. The comparison between calculated and experimentally determined rate constants for quasi-resonant VV′ exchanges at T = 150 K shows a satisfactory agreement. The rate constants calculated at T = 300 K also agree with the experimental determinations.

Ultrahigh Electrostrictive Effect in Lead-Free Ferroelectric Ceramics Via Texture Engineering.

The electrostrictive effect, which induces strain in ferroelectric ceramics, offers distinct advantages over its piezoelectric counterpart for high-precision actuator applications, including anhysteretic behavior even at high frequencies, rapid reaction times, and no requirement for poling. Historically, commercially available electrostrictive materials have been lead oxide-based. However, global restrictions on the use of lead in electronic components necessitate the exploration of lead-free electrostrictive ceramics with a high strain performance. Although various engineering strategies for producing materials with high strain have been proposed, they typically come at the expense of increased strain hysteresis. Here, we describe the extraordinary electrostrictive response of (Ba0.95Ca0.05)(Ti0.88Sn0.12)O3 (BCTS) ceramics with ultrahigh electrostrictive strain and negligible hysteresis achieved through texture engineering leveraging the anisotropic intrinsic lattice contribution. The BCTS ceramics exhibit a high unipolar strain of 0.175%, a substantial electrostrictive coefficient Q33 of 0.0715 m4 C-2, and an ultralow hysteresis of less than 0.8%. Notably, the Q33 value is three times greater than that of high-performance lead-based Pb(Mg1/3Nb2/3)O3 electrostrictive ceramics. Multiscale structural analyses demonstrate that the electrostrictive effect dominates the BCTS strain response. This research introduces a novel approach to texture engineering to enhance the electrostrictive effect, offering a promising paradigm for future advancements in this field.