Search arXivSearch

arXiv · 1710.03828

Multiple scattering theory for polycrystalline materials with strong grain anisotropy: theoretical fundamentals and applications

Abstract

This work is a natural extension of the authors previous work, Multiple scattering theory for heterogeneous elastic continua with strong property fluctuation, theoretical fundamentals and applications, which established the foundation for developing multiple scattering model for strongly scattering heterogeneous elastic continua. In this work, the corresponding multiple scattering theory for polycrystalline materials with randomly oriented anisotropic crystallites is developed. As applications in ultrasonic nondestructive evaluation, we calculated the dispersion and attenuation coefficient of one of the most important polycrystalline materials in aeronautics engineering, high temperature titanium alloys. The effects of grain symmetry, grain size, and alloying elements on the dispersion and attenuation behaviors are examined. Key information is obtained which has significant implications for quantitatively evaluating the average grain size, monitoring the phase transition, and even estimating gradual change in chemical composition of titanium components in gas turbine engines. For applications in seismology, the velocities and Q-factors for both hexagonal and cubic polycrystalline iron models for the Earth uppermost inner core are obtained in the whole frequency range. This work provides a universal, quantitative model for characterization of a large variety of polycrystalline materials. It also can be extended to incorporate more complicated microstructures, including ellipsoidal grains with or without textures, and even multiphase polycrystalline materials. The new model demonstrates great potential of applications in ultrasonic nondestructive evaluation and inspection of aerospace and aeronautic structures. It also provides a theoretical framework for quantitative seismic data explanation and inversion for the material composition and structural formations of the Earth inner core.

Explore related subjects

Keep this discovery

Explore connections, maps & timelines

BibTeXRIS

Huijing He. 2017-10-10. Multiple scattering theory for polycrystalline materials with strong grain anisotropy: theoretical fundamentals and applications. https://arxiv.org/abs/1710.03828

Cite the original work for its findings. Save a collection to share your selection of sources.

KEEP EXPLORING

Related papers

Incommensurate structural and magnetic modulations in potassium-rich cryptomelane, K$_x$Mn$_8$O$_{16}$ ($x\approx1.45$)

Cryptomelane is a hollandite-like material consisting of K$^+$ cations in an $α$-MnO$_2$ tunnel-like crystallographic motif. Cryptomelane with stoichiometry K$_x$Mn$_8$O$_{16}$ ($x\approx1.45$) has been synthesized and its magnetic properties investigated using variable-temperature magnetic susceptibility, heat capacity, and neutron powder diffraction. Three distinct transitions at $T_1=184$\,K, $T_2=54.5$\,K, and $T_3=24$\,K are observed. At $T_1$ there is a subtle tetragonal$\rightarrow$monoclinic transition associated with emergence of a set of non-magnetic superstructure peaks indexable to a $\vec{k}_\mathrm{struc}\approx0.74\vec{c^*}$ incommensurate modulation parallel to the $α$-MnO$_2$ tunnels. Our findings are consistent with a relation previously reported in titanate hollandites, that $x\approx2|\vec{k}_\mathrm{struc}|$. Magnetic Bragg peaks emerge below $T_2=54.5$\,K, and their positions indicate an incommensurate modulated magnetic structure. The model consistent with the data is a dual-$\vec{k}_\mathrm{mag}$ structure with a ferromagnetic $|\vec{k}_\mathrm{mag}|=0$ component and an incommensurate $\vec{k}_\mathrm{mag}\approx0.37\vec{c^*}$, with the latter most likely to be helical. The period of oscillation of the incommensurate magnetic component is in line with predictions based on a Heisenberg spin Hamiltonian [Mandal \textit{et al}. Phys. Rev. B 90, 104420 (2014)]. Below $T_3=24$\,K, there is a magnetic transition, which gives rise to a different set of magnetic Bragg peaks indicative of a highly complex magnetic structure.

cond-mat.mtrl-sci

An anisotropic functional for two-dimensional material systems

Density function theory is the workhorse of modern electronic structure theory. However, its accuracy in practical calculations is limited by the choice of the exchange-correlation potential. In this respect, two-dimensional materials pose a special challenge, as all these materials and their heterostructures have a crucial similarity. The underlying atomic structures are strongly spatially inhomogeneous, implying that current exchange-correlation functionals, that in almost all cases are isotropic, are ill-prepared for an accurate description. We present an anisotropic screened-exchange potential, that remedies this problem and reproduces the band-gap of 2D materials as well as the piecewise linearity of the total energy with fractional occupation number.

cond-mat.mtrl-sci

Thermally-driven reorientation of the Néel vector in altermagnetic MnTe

Altermagnets are novel magnetic systems that possess a spin-polarized electronic band structure without a net magnetic moment, making them promising for device applications. Hexagonal MnTe, a prototypical altermagnet, arguably exhibits the most properties consistent with theoretical predictions, including an anomalous Hall effect despite a vanishing net magnetization, and altermagnetinduced electronic band splitting. However, fundamental questions remain, including why some effects only appear significantly below the magnetic ordering temperature. Here, we resolve this discrepancy by revealing a reorientation of the Néel vector in single-crystalline MnTe. The Néel vector points 30° from the a-axis at low $T$, before aligning directly with the a-axis around $T\simeq 260$ K. We attribute this to single-ion anisotropy, which depends on temperature-dependent lattice parameters. We obtained these results using muon-spin spectroscopy, magnetization measurements, and X-ray diffraction; we show that the findings are consistent with neutron diffraction. Manipulating this effect, for example through strain, could unlock sensitive electronic detection schemes for external stimuli, paving the way for functional altermagnetic devices.

cond-mat.mtrl-sci