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Structural and elastic properties of La{sub 2}Mg{sub 17} from first-principles calculations

Structural and elastic properties of La{sub 2}Mg{sub 17} with layer structure have been investigated within framework of the density functional theory. Different from the general layer-structured materials, the obtained c/a is less than unity. The calculated elastic constants C{sub 33} is larger than C{sub 11}, being novel in comparison with other alloys with layer structure. The calculated bulk, shear and Young’s modulus of La{sub 2}Mg{sub 17} are higher than other Mg–La alloys with higher La content, implying the stronger covalent bonding. Moreover, the elastic isotropies of La{sub 2}Mg{sub 17} are more excellent. The electronic structure within basal plane is highly symmetric, and the electronic interaction within basal plane is slightly weaker than one between basal planes, which reveal the underlying mechanism for the structural and elastic properties of La{sub 2}Mg{sub 17}. - Graphical abstract: The crystal structure (a) and the atomic positions for (b) (0 0 0 2), (c) (0 0 0 4) and (d) (1 2{sup ¯} 1 0) plane of La{sub 2}Mg{sub 17}. Display Omitted - Highlights: • The c/a of La{sub 2}Mg{sub 17} is anomalously less than unity. • It is novel that for La{sub 2}Mg{sub 17} the elastic constants C{sub 33} is larger than C{sub 11}. • The elastic modulus of La{sub 2}Mg{sub 17} is higher than other Mg–La alloys. • The elastic isotropy of La{sub 2}Mg{sub 17} is excellent. • The electronic structure within basal plane is highly symmetric.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Electrical and thermal transport properties of layered Bi{sub 2}YO{sub 4}Cu{sub 2}Se{sub 2}

Bi{sub 2}YO{sub 4}Cu{sub 2}Se{sub 2} possesses a low thermal conductivity and high electrical conductivity at room temperature, which was considered as a potential thermoelectric material. In this work, we have investigated the electrical and thermal transport properties of Bi{sub 2}YO{sub 4}Cu{sub 2}Se{sub 2} system in the temperature range from 300 K to 873 K. We found that the total thermal conductivity decreases from ~1.8 W m{sup −1} K{sup −1} to ~0.9 W m{sup −1} K{sup −1}, and the electrical conductivity decreases from ~850 S/cm to ~163 S/cm in the measured temperature range. To investigate how potential of Bi{sub 2}YO{sub 4}Cu{sub 2}Se{sub 2} system, we prepared the heavily Iodine doped samples to counter-dope intrinsically high carrier concentration and improve the electrical transport properties. Interestingly, the Seebeck coefficient could be enhanced to ~+80 μV/K at 873 K, meanwhile, we found that a low thermal conductivity of ~0.7 W m{sup −1} K{sup −1} could be achieved. The intrinsically low thermal conductivity in this system is related to the low elastic properties, such as Young's modulus of 70–72 GPa, and Grüneisen parameters of 1.55–1.71. The low thermal conductivity makes Bi{sub 2}YO{sub 4}Cu{sub 2}Se{sub 2} system to be a potential thermoelectric material, the ZT value ~0.06 at 873 K was obtained, a higher performance is expected by optimizing electrical transport properties through selecting suitable dopants, modifying band structures or by further reducing thermal conductivity through nanostructuring etc. - Highlights: • The total thermal conductivity decreases from 1.8 to 0.9 Wm{sup –1}K{sup –1} at 300–873K. • The electrical conductivity decreased from 850 to 163 S/cm at 300–873K. • The Seebeck coefficients were enhanced through heavily Iodine doping. • The ZT ~0.06 at 873K suggests that Bi{sub 2}YO{sub 4}Cu{sub 2}Se{sub 2} systems are potential thermoelectrical materials.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Assessment of structural, thermal, and mechanical properties of portlandite through molecular dynamics simulations

The structural, thermal, and mechanical properties of portlandite, the primary solid phase of ordinary hydrated cement paste, are investigated using the molecular dynamics method. To understand the effects of temperature on the structural properties of portlandite, the coefficients of thermal expansion of portlandite are determined in the current study and validated with what reported from the experimental tests. The atomic structure of portlandite equilibrated at various temperatures is then subjected to uniaxial tensile strains in the three orthogonal directions and the stress-strain curves are developed. Based on the obtained results, the effect of the direction of straining on the mechanical properties of portlandite is investigated in detail. Structural damage analysis is performed to reveal the failure mechanisms in different directions. The energies of the fractured surfaces are calculated in different directions and compared to those of the ideal surfaces available in the literature. The key mechanical properties, including tensile strength, Young's modulus, and fracture strain, are extracted from the stress-strain curves. The sensitivity of the obtained mechanical properties to temperature and strain rate is then explored in a systematic way. This leads to valuable information on how the structural and mechanical properties of portlandite are affected under various exposure conditions and loading rates. - Graphical abstract: Fracture mechanism of portlandite under uniaxial strain in the z-direction. - Highlights: • The structural, thermal, and mechanical properties of portlandite are investigated. • The coefficients of thermal expansion are determined. • The stress-strain relationships are studied in three orthogonal directions. • The effects of temperature and strain rate on mechanical properties are examined. • The plastic energy required for fracture in the crystalline structure is reported.

36 MATERIALS SCIENCE↗

Calcium silicate ceramic scaffolds toughened with hydroxyapatite whiskers for bone tissue engineering

Calcium silicate possessed excellent biocompatibility, bioactivity and degradability, while the high brittleness limited its application in load-bearing sites. Hydroxyapatite whiskers ranging from 0 to 30 wt.% were incorporated into the calcium silicate matrix to improve the strength and fracture resistance. Porous scaffolds were fabricated by selective laser sintering. The effects of hydroxyapatite whiskers on the mechanical properties and toughening mechanisms were investigated. The results showed that the scaffolds had a uniform and continuous inner network with the pore size ranging between 0.5 mm and 0.8 mm. The mechanical properties were enhanced with increasing hydroxyapatite whiskers, reached a maximum at 20 wt.% (compressive strength: 27.28 MPa, compressive Young's modulus: 156.2 MPa, flexural strength: 15.64 MPa and fracture toughness: 1.43 MPa·m{sup 1/2}) and then decreased by addition of more hydroxyapatite whiskers. The improvement of mechanical properties was due to whisker pull-out, crack deflection and crack bridging. Moreover, the degradation rate decreased with the increase of hydroxyapatite whisker content. A layer of bone-like apatite was formed on the scaffold surfaces after being soaked in simulated body fluid. Human osteoblast-like MG-63 cells spread well on the scaffolds and proliferated with increasing culture time. These findings suggested that the calcium silicate scaffolds reinforced with hydroxyapatite whiskers showed great potential for bone regeneration and tissue engineering applications. - Highlights: • HA whiskers were incorporated into CS to improve the properties. • The scaffolds were successfully fabricated by SLS. • Toughening mechanisms was whisker pull-out, crack deflection and bridging. • The scaffolds showed excellent apatite forming ability.

36 MATERIALS SCIENCE↗

Mechanical characterization of TiO{sub 2} nanofibers produced by different electrospinning techniques

In this work TiO{sub 2} nanofibers produced by needle and needleless electrospinning processes from the same precursor were characterized and compared using Raman spectroscopy, transmission electron microscopy (TEM), scanning electron microscopy (SEM) and in situ SEM nanomechanical testing. Phase composition, morphology, Young's modulus and bending strength values were found. Weibull statistics was used to evaluate and compare uniformity of mechanical properties of nanofibers produced by two different methods. It is shown that both methods yield nanofibers with very similar properties. - Graphical abstract: Display Omitted - Highlights: • TiO{sub 2} nanofibers were produced by needle and needleless electrospinning processes. • Structure was studied by Raman spectroscopy and electron microscopy methods. • Mechanical properties were measured using advanced in situ SEM cantilevered beam bending technique. • Both methods yield nanofibers with very similar properties.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

Mechanical and structural characterizations of gamma- and alpha-alumina nanofibers

We investigate the applicability of alumina nanofibers as a potential reinforcement material in ceramic matrix compounds by comparing the mechanical properties of individual nanofibers before and after annealing at 1400 °C. Mechanical testing is performed inside a scanning electron microscope (SEM), which enables observation in real time of the deformation and fracture of the fibers under loading, thereby providing a close-up inspection of the freshly fractured area in vacuum. Improvement of both the Young's modulus and the breaking strength for annealed nanofibers is demonstrated. Mechanical testing is supplemented with the structural characterization of the fibers before and after annealing using SEM, transmission electron microscopy and X-ray diffraction methods. - Highlights: • Mechanical properties of individual alumina nanofibers were measured using in situ SEM cantilevered beam bending technique. • Improvement of mechanical properties of the alumina fibers after annealing at 1400 °C is demonstrated. • Formation of branched structures is demonstrated and their mechanical properties are studied. • XRD and electron microscopy were used for structural characterization of untreated and annealed nanofibers.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

Development of a novel fcc structure for an amorphous-nanocrystalline Ti-33Nb-4Mn (at.%) ternary alloy

Highlights: • An amorphized-nanocrystalline TiNbMn alloy was obtained via mechanical alloying. • The obtained TiNbMn ternary alloy evolved with the mechanical alloying time. • At lower milling time, two nanocrystalline phases (bcc and fcc) were developed. • At higher milling time, a stable amorphous-nanocrystalline fcc-alloy was obtained. • The fcc structure has not been previously published for Ti based alloys. - Abstract: In this work, a novel amorphous-nanocrystalline titanium‑niobium‑manganese solid solution ternary alloy with a Ti-33Nb-4Mn (at.%) nominal composition was developed by a High-Energy Mechanical Alloying. Nb and Mn were added to the elemental Ti as a β-phase (bcc) stabilizer and an amorphization promoter, respectively. The system evolved from the elemental Ti, Nb and Mn raw materials to a body centred cubic (bcc) TiNbMn alloy and, finally, to the formation of an original and stable face centred cubic (fcc) nanocrystalline TiNbMn alloy, not reported until now, at short milling time (20 h). This alloy remains invariant until 120 h. In turn, the partial amorphization of the system occurs and increases until at intermediate milling time (80 h). The production of both original fcc and the amorphous TiNbMn alloy may be beneficial for reducing the Young's modulus and improving the mechanical strength pursued for the Ti alloy. The optimal milling time respect to the amorphization, nanocrystalline size and Fe mount from milling media was 60 h and 80 h (TiNbMn60h and TiNbMn80h), with > 50 wt% of an amorphous phase and a crystalline domain size of approximately 5 nm.

36 MATERIALS SCIENCE↗

Microstructural study and simulation of intrinsic two-way shape memory behavior of functionally graded Ni-rich/NiTiCu thin film

Highlights: • Ni-rich/Ti-rich bi-layer thin film was deposited on Si by using DC magnetron sputtering. • The bi-layer exhibits the gradient structure and mechanical properties through the thickness. • The bi-layer shows intrinsic two-way shape memory effect due to functionally graded structure. • The intrinsic two-way shape memory effect was confirmed by finite element simulation. - Abstract: In this research, the gradient structure and mechanical properties of an austenitic/martensitic (Ni{sub 50.8}Ti/Ni{sub 45}TiCu{sub 5} (at.%)) bi-layer thin film was investigated. The bi-layer was deposited on a Si substrate using DC magnetron sputtering. After crystallization of the film at 773 K for 60 min, the microstructure and mechanical properties of the bi-layer thin film were characterized using X-ray diffraction (XRD), transmission electron microscopy (STEM and HRTEM) and nanoindentation, respectively. The diffraction pattern illustrated that the crystallized bi-layer was combined of martensitic and austenitic layers while secondary ion mass spectroscopy (SIMS) and high resolution transmission electron microscopy analysis demonstrated the existence of a compositional gradient through the thickness and residual strain in the interface of the bi-layer, respectively. Furthermore, the compositional gradient in the bi-layer led to gradual variations in the structure, hardness and Young's modulus through the thickness of the bi-layer. The intrinsic two-way shape memory effect due to its functionally graded structure and the induced stress was confirmed by experimental test and finite element simulation.

36 MATERIALS SCIENCE↗

Development of nano-Y2O3 dispersed Zr alloys synthesized by mechanical alloying and consolidated by pulse plasma sintering

Highlights: • Zr-Fe-Cr-Cu-Ti-1.0wt% nano-Y{sub 2}O{sub 3} dispersed alloys are fabricated by mechanical alloying and pulse plasma sintering. • These alloys record extremely high compressive strength, Young’s modulus, and hardness. • These mechanical properties are superior as compared to other commercially available Zr based alloys. • Dispersion of nanometric FeZr{sub 2}, Y{sub 2}Ti{sub 2}O{sub 7}, Fe{sub 2}Ti, ZrCu, Cr{sub 2}Zr, Y{sub 2}O{sub 3} leads to grain boundary pinning at elevated temperature. - Abstract: In this paper, Zr alloys are synthesized with nominal compositions: 50Zr-30Fe-10Cr-5Cu-5Ti (alloy A), and 49Zr-30Fe-10Cr-5Cu-5Ti-1Y{sub 2}O{sub 3} (alloy B), 45Zr-30Fe-10Cr-10Cu-5Ti (alloy C), 44Zr-30Fe-10Cr-10Cu-5Ti-1Y{sub 2}O{sub 3} (alloy D) (all in wt%) by mechanical alloying and consolidated by pulse plasma sintering at 1173 K (900 °C), 1223 K (950 °C) and 1273 K (1000 °C) using 75 MPa uniaxial pressure applied for 5 min and 70 kA pulsed current at 3 Hz pulse frequency. The microstructure and phase evolution during mechanical alloying and sintering has been characterized by X-ray diffraction (XRD), scanning and transmission electron microscopy (SEM & TEM) and energy dispersive spectroscopy (EDS). Mechanical properties i.e. hardness and compressive strength were determined by using nano-indentation unit and universal testing machine. The produced alloys recorded very high levels of compressive strength (1359–2456 MPa), and hardness (7.05–10.05 GPa) which measures 1.5–2.0 times more than that of other Zr alloys (2 O{sub 3}) particles which can contribute to grain boundary pinning, and improved creep and oxidation resistance at elevated temperature.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

Mechanical properties of aluminosilicate fiber heat-treated from 800 °C to 1400 °C: Effects of phase transition, grain growth and defects

Highlights: • As reaction between amorphous SiO{sub 2} and γ-Al{sub 2}O{sub 3}, phase transition was triggered at ≈1150 °C in AS fiber, thus forming mullite. • Grain size of formed mullite phase was evidently increased as the heat-treated temperature increased from 1200 °C to 1400 °C. • Higher density flaws were formed at higher temperatures, which led to significant degradation of strength of the AS fiber. - Abstract: Thermal stability of oxide fiber is a key property for high temperature structural applications of typical oxide fiber reinforced oxide matrix composites. This work contributes to provide insight into the mechanical properties of a typical aluminosilicate (AS) fiber heat-treated from 800 °C to 1400 °C in air, with the emphasis on the effects of phase transition, grain growth and defect formations. The results showed a phase reaction occurring at 1150 °C, which formed an orthorhombic structured mullite phase. The grain size of the newly formed mullite was observed increased significantly at higher temperatures. Both the phase transition and grain size led to more flaw formations in the microstructure, which influenced significantly the mechanical property of the AS fiber. Specifically, the Young's modulus and tensile strength were both degraded remarkably from ≈145 GPa to ≈110 GPa, and from ≈1.03 GPa to ≈0.52 GPa, respectively, as the heat-treatment temperature increased from 1200 °C to 1400 °C. Finally, the formations of more flaws yielded a higher dispersion of tensile strength of AS fiber, due to the volume dependent flaw distributions, as revealed by the Weibull statistical analysis.

36 MATERIALS SCIENCE↗

Development of pore-free Ti-Al-C MAX/Al-Si MMC composite materials manufactured by squeeze casting infiltration

Highlights: • Open-porous MAX phase preforms were synthesized by Microwave Assisted Self-propagating High-temperature Synthesis • Manufactured preforms were infiltrated by Al-Si alloy with the use of Squeeze Casting method to create pore-free composites • Obtained materials were characterized by the means of SEM, TEM and XRD analyses • Mechanical properties were tested and discussed in relation to the microstructures An innovative method of manufacturing of Ti-Al-C MAX/Al-Si MMC composite materials was developed using squeeze casting infiltration of open-porous MAX phase preforms. Self-propagating High-temperature Synthesis (SHS) in microwave-assisted mode was applied for the creation of preforms in the Ti-Al-C system, that were subsequently infiltrated with Al-Si alloy to create dense composite materials. Microstructure and phase composition, structural defects and potential impacts between constituents of manufactured composites were characterized by the means of SEM and TEM microscopies and XRD analysis. No undesired reaction at the interface was observed, but TiC inclusions were identified in the material. Among the mechanical properties, the instrumental Young's modulus and Vickers hardness were established. The hardness and the elastic modulus of the matrix were enhanced 4 to 5 times. Wear behaviour was tested with a “pin-on-flat” method with the reciprocating motion for different load values (0.1, 0.2 and 0.5 MPa) for tool steel counterpart. Wear resistance of the composite material (WR = 1.6–2.3 × 10{sup −4} mm{sup 3}/Nm) was twofold higher than for the sole matrix (WR = 3.5–4.8 × 10{sup −4} mm{sup 3}/Nm). The developed manufacturing method allows the effective fabrication of pore-free MAX phase based MMC composite materials, with significantly higher wear resistance than the widely applied Al-Si alloys.

36 MATERIALS SCIENCE↗

Nanoindentation testing as a powerful screening tool for assessing phase stability of nanocrystalline high-entropy alloys

The equiatomic high-entropy alloy (HEA), CrMnFeCoNi, has recently been shown to be microstructurally unstable, resulting in a multi-phase microstructure after intermediate-temperature annealing treatments. The decomposition occurs rapidly in the nanocrystalline (NC) state and after longer annealing times in coarse-grained states. To characterize the mechanical properties of differently annealed NC states containing multiple phases, nanoindentation was used in this paper. The results revealed besides drastic changes in hardness, also for the first time significant changes in the Young's modulus and strain rate sensitivity. Finally, nanoindentation of NC HEAs is, therefore, a useful complementary screening tool with high potential as a high throughput approach to detect phase decomposition, which can also be used to qualitatively predict the long-term stability of single-phase HEAs.

36 MATERIALS SCIENCE↗

Wood-reinforced composites by stereolithography with the stress whitening behavior

In this study, poplar wood flour at various concentrations (1–10 wt%) is incorporated into a methacrylate-based resin via solution blending to fabricate wood-reinforced composites using stereolithography apparatus (SLA) 3D printing. Differential scanning calorimetry (DSC) along with Fourier transform infrared spectroscopy (FTIR) analysis shows the presence of a small amount of residual monomer in the printed samples. For the printed composites, the glass transition temperature (T g ) from dynamic mechanical analysis (DMA) decreases as more wood flour is incorporated, which indicates an increase in free volume occupied by polymer chains. The tensile strength is improved up to 17.3% from 21.1 MPa (no wood flour) to 24.7 MPa (1.0 wt% wood flour). The highest Young’s modulus reaches 323.8 MPa (2.0 wt% wood flour), which is 1.9-fold of that of the sample without wood flour. Moreover, the composites show “stress whitening” with the addition of wood flour during the uniaxial drawing. Morphology analysis of the tested samples show that the formation of microcraze and microvoids likely causing the stress whitening. This is the first study that demonstrates wood flour can be utilized in SLA 3D printed wood plastic composites (WPC) which can reinforce the printed products with a modest loading amount.

36 MATERIALS SCIENCE↗

Exceptional strength and wear resistance in an AA7075/TiB 2 composite fabricated via friction consolidation

The friction consolidation method successfully reinforced aluminum 7075 alloy (AA7075) with high-volume fractions (12 and 24 vol%) of titanium diboride (TiB 2 ) by high pressure and severe plastic deformation at elevated temperatures. The consolidated AMCs have a uniform dispersion of submicron- and micron-sized TiB 2 particles in the AA7075 matrix, with significant refinement of the matrix grain size and the particles. The addition of TiB 2 significantly increases hardness by up to 50 %, Young’s modulus by up to 62 %, and ultimate tensile strength by up to 28 % to 672 MPa, while reducing ductility by 80 %. Wear resistance of 7075/24 vol% TiB 2 improves seven-fold compared to baseline, making it comparable to that of carburized steels. Microstructure-based finite element modeling provided a theoretical strength limit of ~730 MPa for the composites and indicated that high triaxiality in conjunction with severe equivalent plastic strain in a narrow area between the TiB 2 particles led to early fracture initiations, limiting the ductility.

36 MATERIALS SCIENCE↗

Poly(vinylidene fluoride)/ CaCu{sub 3}Ti{sub 4}O{sub 12} and La doped CaCu{sub 3}Ti{sub 4}O{sub 12} composites with improved dielectric and mechanical properties

Highlights: • High ϵ′ PVDF/CCTO and La doped CCTO composites prepared by Extrusion. • With addition of ceramic, there is substantial increase in the ϵ′ of matrix PVDF. • Composites exhibit double relaxation behavior. - Abstract: Melt extrusion process has been used to prepare high relative permittivity, ϵ' PVDF–CCTO and PVDF–LaCCTO composites. Phase composition has been studied using powder X-ray diffraction (XRD). Microstructural, dielectric and mechanical properties have also been studied. Young's modulus of PVDF increases with the ceramic reinforcement. Dielectric measurements are made in the frequency range 10{sup −2}–10{sup 6} Hz using two probe Novocontrol impedance analyser (ZG4) from room temp to 120 °C to study the dielectric relaxation. There is a substantial increase in ϵ' of the matrix PVDF on addition of LaCCTO.

36 MATERIALS SCIENCE↗

Photocatalytic study on SrBi2B2O7 (SrO-Bi2O3-B2O3) transparent glass ceramics

Highlights: • SrO-Bi{sub 2}O{sub 3}-B{sub 2}O{sub 3} transparent glass ceramic was fabricated via melt-quenching. • XRD and SEM revealed nucleation of SrBi{sub 2}B{sub 2}O{sub 7} nanocrystals over glass surface. • SrBi{sub 2}B{sub 2}O{sub 7} nanocrystals were found responsible for photocatalytic activity. • Rz ink test was performed to test self-cleaning ability of glass. • Digital photographic method was opted to view self-cleaning of glass. - Abstract: SrO-Bi{sub 2}O{sub 3}-B{sub 2}O{sub 3} transparent glass ceramic was fabricated via conventional melt-quenching technique. Structural analysis like X-ray diffraction, Raman and Fourier transform infrared spectroscopies were performed to confirm SBBO glass ceramic formation. As-quenched glass samples exhibited X-ray diffraction peaks corresponding to SrBi{sub 2}B{sub 2}O{sub 7} which were further confirmed through Field Emission Scanning Electron Microscope. UV–vis transmission spectra revealed 60%–80% transparency in 500–800 nm spectral range. Absorption study revealed direct bandgap of 2.58 eV. Resazurin (Rz) ink was used as an indicator to monitor photocatalytic activity for self-cleaning purposes. Digital photographic method was performed to examine photoreduction of Rz ink. Further, the pseudo-first order kinetics was istimated for Methylene blue (MB) degradation. Nucleation of nanoparticles of SrBi{sub 2}B{sub 2}O{sub 7} over glass surface were found responsible for photocatalytic activity. Contact angle with water droplet for SBBO glass ceramic was 63.43°. Reduced Young’s modulus (E{sub r}) and Vickers hardness (H{sub v}) were found 59.9 GPa and 5.01 GPa, respectively.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

One-pot ternary sequential reactions for photopatterned gradient multimaterials

Seamless multimaterial construction is a common motif in animal physiology. Such continuous mechanical gradients remain challenging to reproduce in engineered systems, as current resin chemistries typically result in a single fixed set of properties. As an alternative to single-property materials, we introduce a thiol-ene-epoxy-based photothermal reaction scheme that produces multimaterials by altering the polymer microstructure within a single resin. In this system, the photodosage during the first stage of processing dictates the extent of conversion for each subsequent reaction. As a result, our photochemistry can exhibit a diverse range of soft (Young’s modulus, E ~ 400 kPa; elongation, dL/L0 ~ 300%) and stiff (E ~ 1.6 GPa; dL/L 0 ~ 3%) mechanical properties. Furthermore, we pattern photostable and mechanically robust modulus gradients (d[E r, stiff /E r , soft] /dx > 1,000 mm -1 ) that exceed those found in squid beaks and human knee entheses. We demonstrate the ability to build intricate multimaterial architectures including a soft, wearable braille display.

36 MATERIALS SCIENCE↗

Acoustic velocities, elasticity, and pressure-induced elastic softening in compressed neodymium

For the first time, the acoustic velocities and elasticity of double hexagonal close-packed neodymium (Nd) were measured at high pressure using ultrasonic interferometry in conjunction with synchrotron X-ray techniques. Here, both the compressional and shear wave velocities increased with an increase in pressure of up to ~5.4 GPa before they exhibited almost constant values upon further compression. This pressure-induced elastic wave velocity softening can be attributed to the structural instability in dhcp-Nd. From the current sound velocities and density data, we obtained new bulk and shear moduli as well as their pressure dependence for polycrystalline dhcp-Nd, yielding $B_0$=33.2(9) GPa, $G_0$=14.1(5) GPa, $\partial$$B/$$\partial$$P$ = 3.6 (4) and $\partial$$=G/$$\partial$$P$ = 1.3 (2) while other elasticity-related/mechanical properties, including Young's modulus, Debye temperature, Poisson's ratio, and Grüneisen parameter, which are important parameters for the application of Nd in extreme environments, were also derived.

36 MATERIALS SCIENCE↗