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At least 937 records · Page 52

High-pressure elastic properties of dolomite melt supporting carbonate-induced melting in deep upper mantle

Deeply subducted carbonates likely cause low-degree melting of the upper mantle and thus play an important role in the deep carbon cycle. However, direct seismic detection of carbonate-induced partial melts in the Earth’s interior is hindered by our poor knowledge on the elastic properties of carbonate melts. Here we report the first experimentally determined sound velocity and density data on dolomite melt up to 5.9 GPa and 2046 K by in-situ ultrasonic and sink-float techniques, respectively, as well as first-principles molecular dynamics simulations of dolomite melt up to 16 GPa and 3000 K. Using our new elasticity data, the calculated V P /V S ratio of the deep upper mantle (~180–330 km) with a small amount of carbonate-rich melt provides a natural explanation for the elevated V P /V S ratio of the upper mantle from global seismic observations, supporting the pervasive presence of a low-degree carbonate-rich partial melt (~0.05%) that is consistent with the volatile-induced or redox-regulated initial melting in the upper mantle as argued by petrologic studies. This carbonate-rich partial melt region implies a global average carbon (C) concentration of 80–140 ppm. by weight in the deep upper mantle source region, consistent with the mantle carbon content determined from geochemical studies.

58 GEOSCIENCES↗

Nonlocal elastic metasurfaces: Enabling broadband wave control via intentional nonlocality

While elastic metasurfaces offer a remarkable and very effective approach to the subwavelength control of stress waves, their use in practical applications is severely hindered by intrinsically narrow band performance. In applications to electromagnetic and photonic metamaterials, some success in extending the operating dynamic range was obtained by using nonlocality. However, while electronic properties in natural materials can show significant nonlocal effects, even at the macroscales, in mechanics, nonlocality is a higher-order effect that becomes appreciable only at the microscales. This study introduces the concept of intentional nonlocality as a fundamental mechanism to design passive elastic metasurfaces capable of an exceptionally broadband operating range. The nonlocal behavior is achieved by exploiting nonlocal forces, conceptually akin to long-range interactions in nonlocal material microstructures, between subsets of resonant unit cells forming the metasurface. These long-range forces are obtained via carefully crafted flexible elements, whose specific geometry and local dynamics are designed to create remarkably complex transfer functions between multiple units. The resulting nonlocal coupling forces enable achieving phase-gradient profiles that are functions of the wavenumber of the incident wave. The identification of relevant design parameters and the assessment of their impact on performance are explored via a combination of semianalytical and numerical models. The nonlocal metasurface concept is tested, both numerically and experimentally, by embedding a total-internal-reflection design in a thin-plate waveguide. Results confirm the feasibility of the intentionally nonlocal design concept and its ability to achieve a fully passive and broadband wave control.

36 MATERIALS SCIENCE↗

Scaling relationships for the elastic moduli and viscosity of mixed lipid membranes

The elastic and viscous properties of biological membranes play a vital role in controlling cell functions that require local reorganization of the membrane components as well as dramatic shape changes such as endocytosis, vesicular trafficking, and cell division. These properties are widely acknowledged to depend on the unique composition of lipids within the membrane, yet the effects of lipid mixing on the membrane biophysical properties remain poorly understood. Here, we present a comprehensive characterization of the structural, elastic, and viscous properties of fluid membranes composed of binary mixtures of lipids with different tail lengths. We show that the mixed lipid membrane properties are not simply additive quantities of the single-component analogs. Instead, the mixed membranes are more dynamic than either of their constituents, quantified as a decrease in their bending modulus, area compressibility modulus, and viscosity. While the enhanced dynamics are seemingly unexpected, we show that the measured moduli and viscosity for both the mixed and single-component bilayers all scale with the area per lipid and collapse onto respective master curves. This scaling links the increase in dynamics to mixing-induced changes in the lipid packing and membrane structure. More importantly, the results show that the membrane properties can be manipulated through lipid composition the same way bimodal blends of surfactants, liquid crystals, and polymers are used to engineer the mechanical properties of soft materials, with broad implications for understanding how lipid diversity relates to biomembrane function.

59 BASIC BIOLOGICAL SCIENCES↗

Chemically controlled pattern formation in self-oscillating elastic shells

Significance Mechanochemical processes drive various biological functions including morphogenesis and morphological changes in responsive synthetic hydrogels. By allowing reactive components to function in an elastic closed shell, autonomous chemical reactions generate microcompartments capable of expanding or contracting or induce buckled patterns. This capability can drive specific functions such as enhancing the rate of diffusion of compartmentalized chemicals or releasing cargos at specific rates. Here, we demonstrate the coupling of mechanical response to autonomous chemical reactions in elastic shells which swell and deswell to generate specific dynamic patterns and morphologies. The reverse feedback from the mechanical input triggers the chemical reaction. Our work inspires the design of responsive shells to enhance the functionality of microcompartments and nanoreactors.

36 MATERIALS SCIENCE↗

The revised elastic field of an edge dislocation

We modify the traditional linear-elastic field of an edge dislocation. The modifications stem from symmetry and energy requirements imposed in terms of embedded (deformed) coordinates. These requirements are satisfied if a line force is added to the dislocation field. The modification to the stress field is expressed by coefficients that are a function only of Poisson’s ratio. Qualitatively, the field of the dislocation is increased in the glide direction and decreased in the climb direction. There are small changes to the field of a screw dislocation that do not entail the addition of a line force. Effects of nonlinearity, anisotropic elasticity, and image forces are briefly considered.

Hirth, J. P.↗

Nanoscale elastic strain mapping of polycrystalline materials

Measuring elastic strain with nanoscale resolution has historically been very difficult and required a marriage of simulations and experiments. Nano precession electron diffraction provides excellent strain and spatial resolution but has traditionally only been applied to single-crystalline semiconductors. The present study illustrates that the technique can also be applied to polycrystalline materials. The strain resolution was determined to be 0.15% and 0.10% for polycrystalline copper and boron carbide, respectively. Local strain maps were obtained near grain boundaries in boron carbide and dislocations in magnesium and shown to correlate with expected values, thus demonstrating the efficacy of this technique. This study demonstrates that nano precession electron diffraction can be extended from semiconductor devices to polycrystalline metals and ceramics to map nanoscale elastic strain fields with high strain resolution.

36 MATERIALS SCIENCE↗

Low to intermediate energy elastic electron scattering from dichloromethane (CH 2 Cl 2 )

We report a theoretical-experimental investigation of electron scattering by dichloromethane (CH 2 Cl 2 ) in the low- and intermediate energy ranges. Experimental elastic differential cross sections (DCS), in the incident electron energy range of 0.5–800 eV and scattering angle range of 10°–130°, were measured using a crossed beam relative flow technique. Integral and momentum-transfer cross sections were determined from the experimental DCS. Theoretical elastic differential, integral, and momentum-transfer, as well as grand-total, and total absorption cross sections were also calculated for impact energies ranging from 0.5 to 500 eV. A complex optical Hartree–Fock potential represented the electron-target interaction and a single-center expansion method combined with a Padé approximation was used to solve the scattering equations. Three resonances: a 2 A 1 C–Cl k σ * resonance centered at about 3.5 eV, a 2 B 2 C–Cl k σ * resonance centered at about 5 eV and a broad 2 A 1 C–H k σ * resonance at about 10 eV were detected in our calculation. Further calculations of DCS were performed at an intermediate energy range of 50–800 eV, using the independent-atom model in which the atomic complex optical potential and partial-wave method were used to obtain atomic scattering amplitudes. In conclusion, comparisons of our experimental and theoretical data with very recent experimental and theoretical results are made.

74 ATOMIC AND MOLECULAR PHYSICS↗

High-pressure structural, elastic, and thermodynamic properties of zircon-type HoPO 4 and TmPO 4

Zircon-type holmium phosphate (HoPO 4 ) and thulium phosphate (TmPO 4 ) have been studied by single-crystal x-ray diffraction and ab initio calculations. We report on the influence of pressure on the crystal structure, and on the elastic and thermodynamic properties. The equation of state for both compounds is accurately determined. We have also obtained information on the polyhedral compressibility which is used to explain the anisotropic axial compressibility and the bulk compressibility. Both compounds are ductile and more resistive to volume compression than to shear deformation at all pressures. Furthermore, the elastic anisotropy is enhanced upon compression. Finally, the calculations indicate that the possible causes that make the zircon structure unstable are mechanical instabilities and the softening of a silent B 1u mode.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Short and medium range structure in elastic deformation of metallic and covalent glasses

Here, we present a concise methodology to analyze structural response to the applied stress in amorphous solids, including metallic glasses (MG), glassy selenium, silica and polycarbonate, using high energy x-ray diffraction and atomic pair distribution function (PDF) analysis. To assess the structural anisotropy induced by applied axial stress, diffraction data were expanded into spherical harmonics. Using Bessel transformation, components of the structure function were converted into isotropic and anisotropic PDFs. The PDFs were compared to the expected model behavior for ideal elastic deformation to separate homogeneous affine strain from local non-affine strains. In metallic glass the range of non-affine deformation is limited to the nearest neighbor shell, suggesting local strain relaxation under stress that occurs even in the elastic regime. Beyond the second atomic shell strain is uniform. However, in glassy silica, polycarbonate and selenium strong local bonding inhibits local displacements and strain in short range order is accommodated by rotation of local units. Interestingly, beyond a molecular unit, deformation in covalent systems is similar to MG, and response of the medium range order scales with the macroscopic stress.

glassy structure↗

Frenkel pairs cause elastic softening in zirconia: theory and experiments

Abstract Recent results from molecular dynamics simulations have shown that significant concentrations of Frenkel pairs can be introduced by the proliferation of phonons lying at the edge of the Brillouin zone and when above the Debye temperature. Following the work of Granato (2014 Eur. Phys. J. B 87 18) we extend those calculations to the influence of Frenkels on the elastic modulus. Significant softening is predicted which is confirmed by in situ measurements of the elastic modulus during flash. Frenkel pairs have been proposed to play a central role in the flash phenomena.

Physics↗

Pre-conditioned BFGS-based uncertainty quantification in elastic full-waveform inversion

SUMMARY Full-waveform inversion has become an essential technique for mapping geophysical subsurface structures. However, proper uncertainty quantification is often lacking in current applications. In theory, uncertainty quantification is related to the inverse Hessian (or the posterior covariance matrix). Even for common geophysical inverse problems its calculation is beyond the computational and storage capacities of the largest high-performance computing systems. In this study, we amend the Broyden–Fletcher–Goldfarb–Shanno (BFGS) algorithm to perform uncertainty quantification for large-scale applications. For seismic inverse problems, the limited-memory BFGS (L-BFGS) method prevails as the most efficient quasi-Newton method. We aim to augment it further to obtain an approximate inverse Hessian for uncertainty quantification in FWI. To facilitate retrieval of the inverse Hessian, we combine BFGS (essentially a full-history L-BFGS) with randomized singular value decomposition to determine a low-rank approximation of the inverse Hessian. Setting the rank number equal to the number of iterations makes this solution efficient and memory-affordable even for large-scale problems. Furthermore, based on the Gauss–Newton method, we formulate different initial, diagonal Hessian matrices as pre-conditioners for the inverse scheme and compare their performances in elastic FWI applications. We highlight our approach with the elastic Marmousi benchmark model, demonstrating the applicability of pre-conditioned BFGS for large-scale FWI and uncertainty quantification.

58 GEOSCIENCES↗

Interparameter trade-off quantification and reduction in isotropic-elastic full-waveform inversion: synthetic experiments and Hussar land data set application

The problem of inverting for multiple physical parameters in the subsurface using seismic full-waveform inversion (FWI) is complicated by interparameter trade-off arising from inherent ambiguities between different physical parameters. Parameter resolution is often characterized using scattering radiation patterns, but these neglect some important aspects of interparameter trade-off. More general analysis and mitigation of interparameter trade-off in isotropic-elastic FWI is possible through judiciously chosen multiparameter Hessian matrix-vector products. We show that products of multiparameter Hessian off-diagonal blocks with model perturbation vectors, referred to as interparameter contamination kernels , are central to the approach. We then apply the multiparameter Hessian to various vectors designed to provide information regarding the strengths and characteristics of interparameter contamination, both locally and within the whole volume. With numerical experiments, we observe that S-wave velocity perturbations introduce strong contaminations into density and phase-reversed contaminations into P-wave velocity, but themselves experience only limited contaminations from other parameters. Based on these findings, we introduce a novel strategy to mitigate the influence of interparameter trade-off with approximate contamination kernels. Furthermore, we recommend that the local spatial and interparameter trade-off of the inverted models be quantified using extended multiparameter point spread functions (EMPSFs) obtained with pre-conditioned conjugate-gradient algorithm. Compared to traditional point spread functions, the EMPSFs appear to provide more accurate measurements for resolution analysis, by de-blurring the estimations, scaling magnitudes and mitigating interparameter contamination. Approximate eigenvalue volumes constructed with stochastic probing approach are proposed to evaluate the resolution of the inverted models within the whole model. With a synthetic Marmousi model example and a land seismic field data set from Hussar, Alberta, Canada, we confirm that the new inversion strategy suppresses the interparameter contamination effectively and provides more reliable density estimations in isotropic-elastic FWI as compared to standard simultaneous inversion approach.

58 GEOSCIENCES↗

Acoustic- and elastic-waveform inversion with total generalized p-variation regularization

Geophysical models usually contain both sharp interfaces and smooth variations, and it is difficult to accurately account for both of these two types of medium parameter variations using conventional full-waveform inversion methods. We develop a novel full-waveform inversion method for acoustic and elastic waves using a total generalized p-variation regularization scheme to address these challenging problems. We decompose the full-waveform inversion into two subproblems and solve these two minimization subproblems using an alternating-direction minimization strategy. One significant advantage of the total generalized p-variation regularization scheme is that it can simultaneously reconstruct sharp interfaces and smooth background variations of geophysical parameters. Such capability can also effectively suppress the noises in source-encoded inversion and sparse-data inversion, or inversion of noisy data. We demonstrate the advantages of our full-waveform inversion method using a checkerboard model, a modified elastic SEG/EAGE overthrust model, and a land field seismic data set. Our conclusions of synthetic and field seismic data demonstrate that our method reconstructs both smooth background variations and sharp interfaces of subsurface geophysical properties accurately, and provides a useful tool for accurate and reliable inversion of field seismic data.

58 GEOSCIENCES↗

Proton elastic scattering at 200 A MeV and high momentum transfers of 1.7–2.7 fm -1 as a probe of the nuclear matter density of 6 He

Differential cross sections of p- 6 He elastic scattering were measured in inverse kinematics at an incident energy of 200 AMeV, covering the high momentum transfer region of 1.7-2.u fm -1 . The sensitivity of the elastic scattering at low and high momentum transfers to the density distribution was investigated quantitatively using relativistic impulse approximation calculations. In the high momentum transfer region, where the present data were taken, the differential cross section has an order of magnitude higher sensitivity to the inner part of the 6 He density relative to the peripheral part (15:1). This feature makes the obtained data valuable for the deduction of the inner part of the 6 He density. The data were compared to a set of calculations assuming different proton and neutron density profiles of 6 He. The data are well reproduced by the calculation assuming almost the same profiles of proton and neutron densities around the center of 6 He, and a proton profile reproducing the known point-proton radius of 1.94 fm. This finding is consistent with the assumption that the 6 He nucleus consists of a rigid α-like core with a two-neutron halo.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Scaling Symmetries in Elastic-Plastic Dynamic Cavity Expansion Equations Using the Isovector Method

Cavity-expansion approximations are widely-used in the study of penetration mechanics and indentation phenomena. We apply the isovector method to a well-established model in the literature for elastic-plastic cavity-expansion to systematically demonstrate the existence of Lie symmetries corresponding to scale-invariant solutions. Here we use the symmetries obtained from the equations of motion to determine compatible auxiliary conditions describing the cavity wall trajectory and the elastic-plastic material interface. The admissible conditions are then compared with specific similarity solutions in the literature.

97 MATHEMATICS AND COMPUTING↗

Generalization of Stoney’s equation for flexoelectric thin films on elastic substrates

When a thin film is deposited on an incompatible elastic substrate, the film develops an elastic mismatch strain, causing the film–substrate system to bend. Stoney’s equation relates the curvature of the bent film–substrate system with the residual stress developed in the film, and can be used to infer film properties from curvature measurements. Certain materials exhibit electromechanical coupling, such as piezoelectricity and flexoelectricity, which can alter the curvature and strains. In this work, we generalize Stoney’s equation to include flexoelectric and piezoelectric effects in the film. Considering both open and closed circuit configurations, as well as uniform and non-uniform film properties, we compare different cases of electromechanical coupling and discuss their influence on curvature, strains, and electric polarization in the film.

Ghosh, Swarnava [ORNL] (ORCID:0000000338005264)↗

High precision measurements of the proton elastic electromagnetic form factors and their ratio at 𝑄 2 = 0.50, 2.64, 3.20, and 4.10 GeV 2

The advent of high-intensity, high-polarization electron beams led to significantly improved measurements of the ratio of the proton’s charge to electric form factors, 𝐺 𝐸⁢ 𝑝 ⁡/𝐺 𝑀⁢ 𝑝 . However, high-𝑄 2 measurements of this ratio yielded significant disagreement with extractions based on unpolarized scattering measurements, raising questions about the reliability of the measurements and consistency of the techniques. Jefferson Lab experiment E01-001 was designed to provide a high precision extraction of 𝐺 𝐸⁢ 𝑝 ⁡/𝐺 𝑀⁢ 𝑝 from unpolarized cross-section measurements using a modified version of the Rosenbluth separation technique to allow for a more precise comparison with polarization data. Rosenbluth separations involve precise measurements of the angular dependence of the elastic 𝑒−𝑝 cross section at fixed momentum transfer, 𝑄 2 . Conventional Rosenbluth separations detect the scattered electron, requiring the comparisons of measurements with very different detected electron energy and rate for electrons at different angles. Our ‘‘super-Rosenbluth’’ measurement detected the struck proton, rather than the scattered electron to extract the elastic 𝑒−𝑝 cross section. This yielded a fixed momentum for the detected particle and dramatically reduced variation of the cross section with angle, significantly reducing rate- and momentum-dependent corrections and uncertainties. We measure the cross section vs angle with high relative precision, allowing for extremely high precision extractions of 𝐺 𝐸⁢ 𝑝 ⁡/𝐺 𝑀⁢ 𝑝 at 𝑄 2 = 2.64, 3.20, and 4.10 GeV 2 . Our results are consistent with traditional Rosenbluth extractions, but with much smaller corrections and systematic uncertainties, comparable to the uncertainties from polarization measurements. Our data confirm the discrepancy between Rosenbluth and polarization extractions of the proton form factor ratio using an improved Rosenbluth extraction that yields smaller and less-correlated uncertainties than those typical of previous Rosenbluth extractions. Here, we compare our results to calculations of two-photon exchange effects and find that the observed discrepancy can be relatively well explained by such effects.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Mechanism of the wurtzite to rocksalt phase transformation in cadmium sulfide single crystals shock compressed along the 𝑐-axis to elastic impact stresses of ∼ 5 GPa

Cadmium sulfide (CdS), which exhibits a wurzite (WZ) to rocksalt (RS) phase transformation at elevated stresses, is an ideal system to address the role of deformation on phase transformation mechanisms and kinetics. CdS has been shown to have very different elastic-inelastic behavior for shock propagation along the WZ 𝑐- and 𝑎-axes, and also exhibits significant differences in the time scale for the phase transformation when shocked along these different axes. As an important first step in examining the role of deformation in shock-induced phase transformations, here we present in situ, time-resolved x-ray diffraction (XRD) measurements in single-event, shock wave experiments on CdS single crystals shocked along the WZ 𝑐-axis to elastic impact stresses near or above ∼ 5 GPa, where a marked increase in the kinetics of this transformation has been reported. The XRD measurements are compared with forward diffraction simulations to evaluate different proposed phase transformation mechanisms and are shown to be consistent with a shearing mechanism that results in the RS [001] direction being aligned with the original WZ 𝑐-axis and the RS [110] direction being aligned with the original WZ 𝑎-axis. In order to reproduce all observed RS diffraction spots the forward diffraction simulations required three different RS crystalline domains, each with a [110] direction aligned with one of the three original WZ 𝑎-axes, and a significant mosaicity, particularly about the RS [001] direction (the direction of shock propagation). In conclusion, this large mosaicity is likely due to variations in the possible shearing mechanisms that connect the WZ and RS structures, which can create crystallites with up to ∼ ±10° of relative rotations about the RS [001] direction, as well as further rotation of these crystallites as they grow, merge, and coalesce.

Crystal structure↗