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arXiv2013

Correlating toughness and roughness in ductile fracture

Three dimensional calculations of ductile crack growth under mode I plane strain, small scale yielding conditions are carried out using an elastic-viscoplastic constitutive relation for a progres- sively cavitating plastic solid with two populations of void nucleating second phase particles. Full field solutions are obtained for three dimensional material microstructures characterized by ran- dom distributions of void nucleating particles. Crack growth resistance curves and fracture surface roughness statistics are calculated using standard procedures. The range of void nucleating particle volume fractions considered give rise to values of toughness, JIC, that vary by a factor of four. For all volume fractions considered, the computed fracture surfaces are self-affine over a size range of about two orders of magnitude with a roughness exponent of 0.54 $\pm$ 0.03. For small void nucleating particle volume fractions, the mean large particle spacing serves as a single dominant length scale. In this regime, the correlation length of the fracture surface corresponding to the cut-off of the self-affine behavior is found to be linearly related to JIC thus quantitatively correlating toughness and fracture surface roughness.

cond-mat.soft↗

arXiv2013

Temperature-driven Phase Transformation in Y_3Co: Neutron Scattering and First-principles Studies

Contrary to previous studies that identified the ground state crystal structure of the entire R_3Co series (R is a rare earth) as orthorhombic Pnma, we show that Y_3Co undergoes a structural phase transition at T_t=160K. Single crystal neutron diffraction data reveal that at T_t the trigonal prisms formed by a cobalt atom and its six nearest-neighbor yttrium atoms experience distortions accompanied by notable changes of the Y-Co distances. The formation of the low-temperature phase is accompanied by a pronounced lattice distortion and anomalies seen in heat capacity and resistivity measurements. Density functional theory calculations reveal a dynamical instability of the Pnma structure of Y_3Co. In particular, a transversal acoustic phonon mode along the (00z) direction has imaginary frequencies at z<1/4. Employing inelastic neutron scattering measurements we find a strong damping of the (00z) phonon mode below a critical temperature T_t. The observed structural transformation causes the reduction of dimensionality of electronic bands and decreases the electronic density of states at the Fermi level that identifies Y_3Co as a system with the charge density wave instability.

cond-mat.mtrl-sci↗

arXiv2013

Comment on "Pt magnetic polarization on Y3Fe5O12 and magnetotransport characteristics"

In a recent Letter [Y.M. Lu et al., Phys. Rev. Lett. 110, 147207 (2013)], Lu et al. reported on "ferromagneticlike transport properties" of thin films of Pt, deposited ex situ via sputtering on the ferrimagnetic insulator Y3Fe5O12. The authors found a magnetoresistance in Pt displaying a hysteresis corresponding to the coercive field of Y3Fe5O12, consistent with the findings of other groups. While the latter interpreted their data in terms of the recently proposed spin-Hall magnetoresistance, Lu et al. attributed their observation to a magnetic proximity effect. To support this interpretation, they measured the X-ray magnetic circular dichroism (XMCD) at the Pt L2,3 edges from a Pt/Y3Fe5O12 sample with a Pt thickness of 1.5 nm and derived an average induced magnetic moment of 0.054 Bohr magnetons per Pt atom. This is contradictory to the results of our previous comprehensive XMCD study of three different Pt/Y3Fe5O12 samples with Pt thicknesses of 3, 7, and 10 nm from which we identified an upper limit of (0.003 +/- 0.001) Bohr magnetons per Pt [Geprägs et al., Appl. Phys. Lett. 101, 262407 (2012), arXiv:1211.0916].

cond-mat.mtrl-sci↗

arXiv2013

Interaction effect detected by compared of the irreversible and remanent initial magnetization curves in Ni-Cu-Zn ferrites

A new technique for estimation of magnetic interaction effects of initial magnetization curves has been proposed. It deals with remanence, and initial irreversible magnetization, curves. The method is applied for single-phase polycrystalline Ni0.85-xCu0.15ZnxFe2O4, (x = 0, 0.2, 0.4 and 0.6), which were synthesized by a standard ceramic technology. A study of the initial reversible and irreversible magnetization processes in ferrite materials was carried out. The field dependence of the irreversible, and reversible, magnetizations was determined by magnetic losses of minor hysteresis loops obtained from different points of an initial magnetization curve. The influence of Zn-substitutions in Ni-Cu ferrites over irreversible magnetization processes and interactions in magnetic systems has been analyzed.

cond-mat.mtrl-sci↗

arXiv2013

Correlation between defect and magnetism of Ar9+ implanted and un-implanted Zn0.95Mn0.05O thin films suitable for electronic application

Sol-gel derived thin films of Zn0.95Mn0.05O have been implanted with Ar9+ ions with doses viz. 5x10e14 ions/cm2 (low), 1x10e15 ions/cm2 (intermediate) and 1x10e16 ions/cm2 (high). Structural, morphological, optical and magnetic properties of the films have been investigated. Structural study confirmed single phase, wurtzite structure of the films. The absence of impurity phase has been confirmed from several measurements. Ion implantation induces a large concentration of point defects into the films as identified from optical study. All films exhibit well above room temperature (RT) intrinsic ferromagnetism (FM) as evidenced from field and temperature dependent magnetization measurements. The magnetization attains the maximum value for high dose of Ar9+ ion implanted film. It shows RT saturation magnetization (MS) value of 0.69emu/gm. The observed FM has been correlated with proportion of intrinsic defects, such as, zinc and oxygen vacancies and the values of MS. Defect induced formation of bound magnetic polaron actually controls the FM. The utility of these films in transparent spin electronic device has also been exhibited.

cond-mat.mtrl-sci↗

arXiv2013

Numerical response of the magnetic permeability as a funcion of the frecuency of NiZn ferrites using Genetic Algorithm

The magnetic permeability of a ferrite is an important factor in designing devices such as inductors, transformers, and microwave absorbing materials among others. Due to this, it is advisable to study the magnetic permeability of a ferrite as a function of frequency. When an excitation that corresponds to a harmonic magnetic field \textbf{H} is applied to the system, this system responds with a magnetic flux density \textbf{B}; the relation between these two vectors can be expressed as \textbf{B}=$μ(ω)$ \textbf{H} . Where $μ$ is the magnetic permeability. In this paper, ferrites were considered linear, homogeneous, and isotropic materials. A magnetic permeability model was applied to NiZn ferrites doped with Yttrium. The parameters of the model were adjusted using the Genetic Algorithm. In the computer science field of artificial intelligence, Genetic Algorithms and Machine Learning does rely upon nature's bounty for both inspiration nature's and mechanisms. Genetic Algorithms are probabilistic search procedures which generate solutions to optimization problems using techniques inspired by natural evolution, such as inheritance, mutation, selection, and crossover. For the numerical fitting usually is used a nonlinear least square method, this algorithm is based on calculus by starting from an initial set of variable values. This approach is mathematically elegant compared to the exhaustive or random searches but tends easily to get stuck in local minima. On the other hand, random methods use some probabilistic calculations to find variable sets. They tend to be slower but have greater success at finding the global minimum regardless of the initial values of the variables

cond-mat.mtrl-sci↗

arXiv2013

Optical Properties and Raman Studies of Partially Edge Terminated Vertically Aligned Nanocrystalline MoS2 Thin Film

The optical and vibrational properties of nanocrystalline thin films of MoS2, comprised of a mixture of edge terminated vertically aligned (ETVA) and (001)-oriented regions, on large insulating substrates are reported. From high resolution transmission electron microscopy (HRTEM), the average size of ETVA nanocrystals were ~5 nm and each nanocrystal consisted of only 3 to 5 monolayers of MoS2. The films were highly transparent (~80%) but the percent of transmittance decreased as the energy of the incident light approached to the band gap. Additionally, weak excitonic peaks were observed both in the absorption and transmission spectra. The room temperature Raman study showed that both the E12g and A1g modes were significantly broader, and a few additional Raman modes were observed when compared to bulk MoS2. The broadening of the A1g mode was analyzed using the phonon-confinement model and the calculated particle size was in good agreement with TEM observations. Moreover, the temperature coefficient of the A1g mode was estimated from the temperature dependent Raman studies.

cond-mat.mes-hall↗

arXiv2013

X-ray diffraction by magnetic charges (monopoles)

Magnetic charges, or magnetic monopoles, may form in the electronic structure of magnetic materials where ions are deprived of symmetry with respect to spatial inversion. Predicted in 2009, the strange magnetic, pseudoscalars have recently been found different from zero in simulations of electronic structures of some magnetically ordered, orthorhombic, lithium orthophosphates (LiMPO4). We prove that magnetic charges in lithium orthophosphates diffract x-rays tuned in energy to an atomic resonance, and to guide future experiments we calculate appropriate unit-cell structure factors for monoclinic LiCoPO4 and orthorhombic LiNiPO4.

cond-mat.str-el↗

arXiv2013

Stone-Wales Defects in Silicene: Formation, Stability and Reactivity of Defect Sites

During the synthesis of ultra-thin materials with hexagonal lattice structure Stone-Wales (SW) type of defects are quite likely to be formed and the existence of such topological defects in the graphene-like structures results in dramatical changes of their electronic and mechanical properties. Here we investigate the formation and reactivity of such SW defects in silicene. We report the energy barrier for the formation of SW defects in freestanding (~2.4 eV) and Ag(111)-supported (~2.8 eV) silicene and found it to be significantly lower than in graphene (~9.2 eV). Moreover, the buckled nature of silicene provides a large energy barrier for the healing of the SW defect and therefore defective silicene is stable even at high temperatures. Silicene with SW defects is semiconducting with a direct bandgap of 0.02 eV and this value depends on the concentration of defects. Furthermore, nitrogen substitution in SW defected silicene shows that the defect lattice sites are the least preferable substitution locations for the N atoms. Our findings show the easy formation of SW defects in silicene and also provide a guideline for bandgap engineering in silicene-based materials through such defects.

cond-mat.mtrl-sci↗

arXiv2013

Influence of excitation frequency on Raman modes of In1-xGaxN thin films

Low energy optical modes of MBE-grown In1-xGaxN thin films with different values of x are investigated using Raman spectroscopy. We also studied the influence of Raman excitation frequency using red and green lasers on scattering intensity of various Raman modes. For those In1-xGaxN alloys whose bandgap energy is close to the red laser, a huge enhancement in the intensities of A1(LO) mode and its 2A1(LO) replica is observed when excited with red laser as compared to the green laser excitation. We found that the energies of longitudinal optical modes (A1 (LO) and 2A1 (LO)) vary nonlinearly unlike the E2 mode with increasing Ga atomic fraction. A Raman mode ~ 540 cm-1 was observed in all In1-xGaxN films with low energy red laser excitation but was absent with green laser excitation. We attribute this mode to A1(TO) mode of the underneath GaN buffer layer.

cond-mat.mtrl-sci↗

arXiv2013

Analytical expression for the harmonic Hall voltages in evaluating spin orbit torques

Solid understanding of current induced torques is key to the development of current and voltage controlled magnetization dynamics in ultrathin magnetic heterostructures. A versatile technique is needed to evaluate such torques in various systems. Here we examine the adiabatic (low frequency) harmonic Hall voltage measurement that has been recently developed to study current induced effective field that originate from the spin orbit effects. We analytically derive a form that can be used to evaluate the harmonic Hall voltages and extract relevant parameters in two representative systems, i.e. out of plane and in-plane magnetized systems. Contributions from the anomalous Hall and planar Hall effects are considered.

cond-mat.mes-hall↗

arXiv2013

Electrochemical polymerization of anilinium hydrochloride

Electropolymerization of anilinium hydrochloride was carried out on platinum plate electrode in a protic medium by cyclic voltammetry. The effects on the electrodeposition of the sweep rate, monomer concentration, pH of the medium and electrode nature are discussed.

cond-mat.mtrl-sci↗

arXiv2013

Dimensional-Crossover-Driven Mott Insulators in SrVO3 Ultrathin Films

High-quality epitaxial SrVO3 (SVO) thin films of various thicknesses were grown on (001)-oriented LSAT substrates by pulsed electron-beam deposition technique. Thick SVO films (~25 nm) exhibited metallic behavior with the electrical resistivity following the T2 law corresponding to a Fermi liquid system. We observed a temperature driven metal-insulator transition (MIT) in SVO ultrathin films with thicknesses below 6.5 nm, the transition temperature TMIT was found to be at 50 K for the 6.5 nm film, 120 K for the 5.7 nm film and 205 K for the 3 nm film. The emergence of the observed MIT can be attributed to the dimensional crossover from a three-dimensional metal to a two-dimensional Mott insulator, as the resulting reduction in the effective bandwidth W opens a band gap at the Fermi level. The magneto-transport study of the SVO ultrathin films also confirmed the observed MIT is due to the electron-electron interactions other than localization.

cond-mat.str-el↗

arXiv2013

Analytical quantitative description of wide plate U-free bend process of intelligent control

According to flexure theory of plate, on the premise of plane deformation assumption, an analytic model of U-free bend theory is proposed in this paper, which considered the harden, anisotropy and elastic deformation of material. Then the theoretical analysis on U-free bending of wide plate is made, the change rules of bending force with bending stroke and formula of target angularity are obtained, the various factors affecting bending force and rebound are analyzed. Furthermore, theoretical calculation and experiment and simulation results are compared, which provided theoretical basis for identifying parameters of the wide plate U-free bending intelligent control as well as determining variables of the input layer and output layer of prediction model.

physics.class-ph↗

arXiv2013

Thermodynamic stability of new phase Bi12.5Sm1.5ReO24.5

The Bi12.5Sm1.5ReO24.5 phase has been synthesized for the first time. The preparation of Bi12.5Sm1.5ReO24.5 has been performed by solid-state reaction from Bi2O3, Gd2O3, Re2O7. The X-ray measurements have showed that Bi12.5Sm1.5ReO24.5 was cubic structure (space group Fm3m). The standard molar enthalpy of formation of Bi12.5Sm1.5ReO24.5 has been determined by solution calorimetry combining the enthalpies of dissolution of Bi12.5Sm1.5ReO24.5 and 6.25Bi2O3 + 0.75Sm2O3 + 0.5Re2O7 mixture in 2 M HCl and literature data. It has been obtained that above-mentioned phase is thermodynamically stable with respect to their decomposition into binary oxides at room temperatures.

cond-mat.mtrl-sci↗

arXiv2013

Solution calorimetry investigations of new phase BaCe0.6Y0.3In0.1O2.8

The preparation of BaCeO3 doped by yttrium and indium oxides (BaCe0.6Y0.3In0.1O2.8) has been performed by solid-state reaction from BaCO3, CeO2, Y2O3, In2O3. The compound BaCe0.6Y0.3In0.1O2.8 has been synthesized for the first time. The X-ray measurements have showed that BaCe0.6Y0.3In0.1O2.8 has an orthorhombic structure (space group Pmcn). The standard formation enthalpies of BaCe0.6Y0.3In0.1O2.8 have been determined by solution calorimetry combining the solution enthalpies of BaCe0.6Y0.3In0.1O2.8 and BaCl2 + 0.6CeCl3 + 0.3YCl3 + 0.1InCl3 mixtures in 1 M HCl with 0.1 M KI at 298.15 K and literature data. It has been obtained that above-mentioned mixed oxide is thermodynamically stable with respect to their decomposition into binary oxides at room temperatures. It has been also shown that BaCe0.6Y0.3In0.1O2.8 has been more thermodynamically favored than BaCe0.9In0.1O2.95.

cond-mat.mtrl-sci↗

arXiv2013

Dielectric Environment Effect on Carrier Mobility of Graphene Double-Layer Structure

We have theoretically studied the dielectric environment effect on the charged-impurity-limited carrier mobility of graphene double-layer structure (GDLS) on the basis of the Boltzmann transport theory. In this system, two graphene layers are separated by a dielectric barrier layer. It is pointed out that the carrier mobility strongly depends on the dielectric constant of the barrier layer when the interlayer distance becomes larger than the inverse of the Fermi wave vector. Moreover, the conditions to improve the charged-impurity-limited carrier mobility of the GDLS are evaluated.

cond-mat.mes-hall↗

arXiv2013

Novel Two-dimensional SiC2 Sheet with Full Pentagon Network

We propose a promising two-dimensional nano-sheet of SiC2 (SiC2-pentagon) consisting of tetrahedral silicon atoms and triple-linked carbon atoms in a fully-pentagon network. The SiC2-pentagon with buckled configuration is more favorable than its planar counterpart and previously proposed SiC2-silagraphene with tetra-coordinate silicon atoms; and its dynamical stability is confirmed through phonon analyzing. Buckled SiC2-pentagon is an indirect-band-gap semiconductor with a gap of 1.388 eV. However, its one-dimensional nanoribbons can be metals or semiconductors depending on the edge type, shape, and decoration. Finally, we propose a method to produce the buckled SiC2-pentagon through chemical exfoliation on the beta-SiC(001)-c(2*2) SDB surface.

cond-mat.mtrl-sci↗