Effect of pores and grain size on the elastic and piezoelectric properties of quartz-based materials

The role of grain size and porosity in the piezoelectric and elastic properties of SiO2-based materials was investigated using resonant piezoelectric spectroscopy, RPS, and resonant ultrasound spectroscopy, RUS. RPS performed on agate revealed a piezoelectric effect comparable in magnitude to that in single crystal quartz. The observed strong piezoelectricity in agate requires preferential orientation of SiO2 during crystal growth. Similarly, in novaculite and sandstone finite (but weak) RPS signals were evident, suggesting that the expected randomization of the piezoelectric quartz grains is incomplete. On the other hand, Vycor, a silica glass with a porosity of 40%, showed no evidence of the piezoelectric effect. According to temperature dependent RPS and RUS measurements, the α-β transition temperature in quartz does not change in polycrystalline samples. Finally, the temperature dependence under heating of the elastic constants is reversible in quartz and agate and irreversible in sandstone and vycor.RUS facilities in Cambridge were established through grant no. NE/B505738/1 to MAC from the Natural Environment Research Council. EKHS is grateful to the Leverhulme Foundation (RPG-2012-564) and EPSRC (EP/K009702/1) for financial support.This is the final version. It was first published by De Gruyter at http://www.degruyter.com/view/j/ammin.2015.100.issue-5-6/am-2015-5180ccby/am-2015-5180ccby.xm

Simulating acoustic emission: The noise of collapsing domains

EPSRCThis is the accepted version of an article which is published in 'Physical Review B' at https://journals.aps.org/prb/ - the link to the published version is http://journals.aps.org/prb/abstract/10.1103/PhysRevB.90.06410

Interface Driven Pseudo-Elasticity in a-Fe Nanowires

Molecular dynamics simulations of bent [100] α-Fe nanowires show the nucleation of twins and nano-scale interfaces that lead to pseudo-elasticity during loading/unloading cycles. The new type of interfaces along {110} stems from the accumulation of individual /{112} twin boundaries and stores high interfacial energies. These nonconventional interfaces provide a large part of the driving force for shape recovery upon unloading, while the minimization of surface energy is no longer the dominant driving force. This new pseudo-elastic effect is not much affected by surface roughness, and can be extended over a wide range of wire diameters, if the sample is seeded with conventional twin boundaries, which will transform to the desired {110} interfaces under bending.X.D. and J.S. appreciate the support of NSFC (51171140, 51231008, 51320105014, 51321003), the 973 Programs of China (2012CB619402) and 111 project (B06025). E.K.H.S. is grateful to EPSRC (EP/K009702/1) for support.This is the final version of the article. It first appeared from Advanced Functional Materials via https://doi.org/10.1002/adfm.20150408

Statistical analysis of emission, interaction and annihilation of phonons by kink motion in ferroelastic materials

Our early work showed that the evolution of the twin boundary pattern exhibits an avalanche behavior upon external loading of ferroelastic materials [Salje et al., Phys. Rev. B 83, 104109 (2011)]. The distribution of “jerks” (singularities of potential energy change) was found to follow a power law distribution below a Vogel–Fulcher temperature, mainly related to the movement of kinks in domain boundaries. We use molecular dynamics simulations to study the nucleation, scattering, and annihilation of phonons that are generated by the nucleation and propagation of such kinks. The interaction and scattering of phonons are correlated over a short time period and gradually become uncorrelated before annihilation at large temperature intervals. The movement and interaction of phonons show avalanche behavior. The probability of finding energy jerks follows a power law with exponents around 2.5–3. The distribution of waiting times between jerks also follows a power law. At temperatures above the Vogel–Fulcher temperature, scattering with thermal phonons becomes predominant and no phononic avalanches were observed.</jats:p

Multiple Avalanche Processes in Acoustic Emission Spectroscopy: Multibranching of the Energy−Amplitude Scaling

Several physical processes can conspire to generate avalanches in materials. Such processes include avalanche mechanisms like dislocation movements, friction processes by pinning magnetic domain walls, moving dislocation tangles, hole collapse in porous materials, collisions of ferroelectric and ferroelastic domain boundaries, kinks in interfaces, and many more. Known methods to distinguish between these species which allow the physical identification of multiavalanche processes are reviewed. A new approach where the scaling relationship between the avalanche energies E and amplitudes A is considered is then described. Avalanches with single mechanisms scale experimentally as E = SiAi2. The energy E reflects the duration D of the avalanche and A(t), the temporal amplitude. The scaling prefactor S depends explicitly on the duration of the avalanche and on details of the avalanche profiles. It is reported that S is not a universal constant but assumes different values depending on the avalanche mechanism. If avalanches coincide, they can still show multivalued scaling between E and A with different S-values for each branch. Examples for this multibranching effect in low-Ni 316L stainless steel, 316L stainless steel, polycrystalline Ni, TC21 titanium alloy, and a Fe40Mn40Co10Cr10 high-entropy alloy are shown

Electrically driven ferroelastic domain walls, domain wall interactions, and moving needle domains

Ferroelastic domains generate polarity near domain walls via the flexoelectric effect. Applied electric fields change the wall dipoles and generate additional dipoles in the bulk. Molecular dynamics simulations show that the thickness of domain walls changes when an electric field is applied to the sample. Fields parallel to the walls lead to expansion of the wall thickness while fields perpendicular to the wall lead to shrinking of the wall thickness. The interactions between polar domain walls expand over more than 45 unit cells, the resulting forces change the wall-wall distances if pinning effects are small. The interaction increases nonlinearly with decreasing wall-wall distances favoring equal wall distances as the consequence of energy minimization under the constraints of a constant number of domain walls. Even for small groups of three walls the sequence of walls is locally periodic: assemblies of three parallel domain walls arrange themselves so that the intermediate domain wall is located exactly in the middle between the two outer walls. The driving force is appreciable if the distance between the outer domain walls is below approximately 30 lattice units. Pairs of domain walls often form needle domains where the shaft of the needle is ca. 3 lattice units wide. The movement of needle domains under applied electric field was simulated. The advancement and retraction of needles is larger in finite samples with charge-free surfaces than under periodic boundary conditions in the bulk. The needle tip moves even more freely when the sample surface is charged.EPSR

Modelling avalanches in martensites

Solids subject to continuous changes of temperature or mechanical load often exhibit discontinuous avalanche-like responses. For instance, avalanche dynamics have been observed during plastic deformation, fracture, domain switching in ferroic materials or martensitic transformations. The statistical analysis of avalanches reveals a very complex scenario with a distinctive lack of characteristic scales. Much effort has been devoted in the last decades to understand the origin and ubiquity of scale-free behaviour in solids and many other systems. This chapter reviews some efforts to understand the characteristics of avalanches in martensites through mathematical modelling.Comment: Chapter in the book "Avalanches in Functional Materials and Geophysics", edited by E. K. H. Salje, A. Saxena, and A. Planes. The final publication is available at Springer via http://dx.doi.org/10.1007/978-3-319-45612-6_

Current vortices and magnetic fields driven by moving polar twin boundaries in ferroelastic materials

AbstractFerroelastic twin boundaries often have properties that do not exist in bulk, such as superconductivity, polarity etc. Designing and optimizing domain walls can hence functionalize ferroelastic materials. Using atomistic simulations, we report that moving domain walls have magnetic properties even when there is no magnetic element in the material. The origin of a robust magnetic signal lies in polar vortex structures induced by moving domain walls, e.g., near the tips of needle domains and near domain wall kinks. These vortices generate displacement currents, which are the origin of magnetic moments perpendicular to the vortex plane. This phenomenon is universal for ionic crystals and holds for all ferroelastic domain boundaries containing dipolar moments. The magnetic moment depends on the speed of the domain boundary, which can reach the speed of sound under strong mechanical forcing. We estimate that the magnetic moment can reach several tens of Bohr magnetons for a collective thin film of 1000 lattice planes and movements of the vortex by the speed of sound. The predicted magnetic fields in thin slabs are much larger than those observed experimentally in SrTiO3/LaAlO3 heterostructures, which may be due to weak (accidental) forcing and slow changes of the domain patterns during their experiments. The dynamical multiferroic properties of ferroelastic domain walls may have the potential to be used to construct localized magnetic memory devices in future.</jats:p

Control of surface potential at polar domain walls in a nonpolar oxide

Ferroic domain walls could play an important role in microelectronics, given their nanometric size and often distinct functional properties. Until now, devices and device concepts were mostly based on mobile domain walls in ferromagnetic and ferroelectric materials. A less explored path is to make use of polar domain walls in nonpolar ferroelastic materials. Indeed, while the polar character of ferroelastic domain walls has been demonstrated, polarization control has been elusive. Here, we report evidence for the electrostatic signature of the domain-wall polarization in nonpolar calcium titanate (CaTiO3). Macroscopic mechanical resonances excited by an ac electric field are observed as a signature of a piezoelectric response caused by polar walls. On the microscopic scale, the polarization in domain walls modifies the local surface potential of the sample. Through imaging of surface potential variations, we show that the potential at the domain wall can be controlled by electron injection. This could enable devices based on nondestructive information readout of surface potential