Phase Stability, Elastic Modulus and Elastic Anisotropy of X Doped (X = Zn, Zr and Ag) Al3Li: Insight from First-Principles Calculations

In present work, the effects of alloying elements X (X = Zn, Zr and Ag) doping on the phase stability, elastic properties, anisotropy and Debye temperature of Al3Li were studied by the first-principles method. Results showed that pure and doped Al3Li can exist and be stable at 0 K. Zn and Ag elements preferentially occupy the Al sites and Zr elements tend to occupy the Li sites. All the Cij obey the mechanical stability criteria, indicating the mechanical stability of these compounds. The overall anisotropy decreases in the following order: Al23Li8Ag > Al3Li > Al23Li8Zn > Al24Li7Zr, which shows that the addition of Zn and Zr has a positive effect on reducing the anisotropy of Al3Li. The shear anisotropic factors for Zn and Zr doped Al3Li are very close to one, meaning that elastic moduli do not strongly depend on different shear planes. For pure and doped Al3Li phase, the transverse sound velocities νt1 and νt2 among the three directions are smaller than the longitudinal sound velocity νl. Moreover, only the addition of Zn is beneficial to increasing the ΘD of Al3Li among the three elements.

In Situ Measurement of Poisson’s Ratio of Steel Plates During Thermal Processes Using Resonant Modes

We demonstrate the determination of the Poisson’s ratio of steel plates during thermal processing based on contact free laser ultrasound measurements. Our method utilizes resonant elastic waves sustained by the plate, provides high amplitudes, and requires only a moderate detection bandwidth. For the analysis, the thickness of the samples does not need to be known. The trend of the measured Poisson’s ratio reveals a phase transformation in dual-phase steel samples. While previous approaches based on the measurement of the longitudinal sound velocity cannot distinguish between the ferritic and austenitic phase above 770°C, the shown method can. If the thickness of the samples is known, the method also provides both sound velocities of the material. The gained complementary information could be used to analyze phase composition of steel from low temperatures up to its melting point.

Possibilities of Decreasing Hygroscopicity of Resonance Wood Used in Piano Soundboards Using Thermal Treatment

This article presents the possibilities of decreasing moisture sorption properties via thermal modification of Norway spruce wood in musical instruments. The 202 resonance wood specimens that were used to produce piano soundboards have been conditioned and divided into three density groups. The first specimen group had natural untreated properties, the second was thermally treated at 180 °C, and the third group was treated at 200 °C. All specimens were isothermally conditioned at 20 °C with relative humidity values of 40, 60, and 80%. The equilibrium moisture content (EMC), swelling, and acoustical properties, such as the longitudinal dynamic modulus (E’L), bending dynamic modulus (Eb), damping coefficient (tan δ), acoustic conversion efficiency (ACEL), and relative acoustic conversion efficiency (RACEL) were evaluated on every moisture content level. Treatment at 180 °C caused the EMC to decrease by 36% and the volume swelling to decrease by 9.9%. Treatment at 200 °C decreased the EMC by 42% and the swelling by 39.6%. The 180 °C treatment decreased the value of the longitudinal sound velocity by 1.6%, whereas the treatment at 200 °C increased the velocity by 2.1%. The acoustical properties EL′, Eb, ACEL, and RACEL were lower due to the higher moisture content of the samples, and only the tanδ increased. Although both treatments significantly affected the swelling and EMC, the treatment at 180 °C did not significantly affect the acoustical properties.

Investigations on Cmc21-Si2P2X structures and physical properties by first-principles calculations

The new structures, Cmc21-Si2P2X (X=S, Se, Te, and Po), are predicted, and their mechanical, electronic and optical properties are investigated with the density functional theory, by first principles calculations. The elastic constants of the four compounds are calculated by the stress-strain method. The calculations of the elastic stability criteria and phonon dispersion spectra imply that they are mechanically and dynamically stable at zero pressure. The mechanical parameters, such as shear moduli G, bulk moduli B, Young's moduli E and Poisson's ratios v are evaluated by the Voigt-Reuss-Hill approach. The Cmc21-Si2P2X has the largest hardness due to the largest Young's modulus in the four compounds, and it is a covalent crystal. The anisotropies of their mechanical properties are also analyzed. The band structures and densities of states, which are calculated by using HSE06, show that Cmc21-Si2P2X compounds are indirect bandgap semiconductors, and the values of the band gaps decrease with increasing atomic number from S, Se, Te, to Po. In addition, the longitudinal sound velocity and transverse sound velocity for Cmc21-Si2P2X have been investigated. The dielectric constant, electron energy loss, refractive index, reflectivity, absorption and conductivity are analyzed to gain the optical properties of Si2P2X.

Picosecond Acoustics Technique to Measure the Sound Velocities of Fe-Si Alloys and Si Single-Crystals at High Pressure

We describe here a time resolved pump-probe laser technique—picosecond interferometry—which has been combined with diamond anvil cells (DAC). This method enables the measurement of the longitudinal sound velocity up to Mbar pressure for any kind of material (solids, liquids, metals, insulators). We also provide a description of picosecond acoustics data analysis in order to determine the complete set of elastic constants for single crystals. To illustrate such capabilities, results are given on the pressure dependence of the acoustic properties for prototypical cases: polycrystal (hcp-Fe-5 wt% Si up to 115 GPa) and single-crystal (Si up to 10 GPa).

Evaluation of the Structural Phase Transition in Multiferroic (Bi1−x Prx)(Fe0.95 Mn0.05)O3 Thin Films by A Multi-Technique Approach Including Picosecond Laser Ultrasonics

Picosecond laser ultrasonics is an experimental technique for the generation and detection of ultrashort acoustic pulses using ultrafast lasers. In transparent media, it is often referred to as time-domain Brillouin scattering (TDBS). It provides the opportunity to monitor the propagation of nanometers-length acoustic pulses and to determine acoustical, optical, and acousto-optical parameters of the materials. We report on the application of TDBS for evaluating the effect of Praseodymium (Pr) substitution on the elasticity of multiferroic (Bi1−xPrx)(Fe0.95Mn0.05)O3 (BPFMO) thin films. The films were deposited on Si and LaAlO3 (LAO) substrates by a sol-gel method. X-ray diffraction and Raman spectra revealed earlier that a phase transition from rhombohedral to tetragonal structure occurs at about 15% Pr substitution and is accompanied by the maxima of remnant magnetization and polarization. Combining TDBS with optical spectral reflectometry, scanning electron microscopy, and topographic measurements by atomic force microscopy, we found that the structural transition is also characterized by the maximum optical dielectric constant and the minimum longitudinal sound velocity. Our results, together with earlier ones, suggest that BiFeO3-based films and ceramics with compositions near phase boundaries might be promising materials for multifunctional applications.

Elastic Constants and Related Properties of Compressed Rocksalt CuX (X =Cl, Br): Ab Initio Study

First-principles calculations are performed to study the structural and elastic properties, sound velocities, and Debye temperature of rocksalt-structured copper monochloride (CuCl) and copper monobromide (CuBr). The structural parameters, elastic constants, longitudinal, transverse, and average elastic wave velocities, and the Debye temperature in the pressure range 10–20 GPa are successfully predicted and analysed. The variation of the elastic constants and bulk modulus as a function of pressure is found to be non-linear for CuCl and almost linear for CuBr. Based on the obtained values of the elastic constants, the bulk modulus, the isotropic shear modulus, Young’s modulus, Poisson’s ratio, and Pugh’s ratio of the aggregate materials are also investigated. The analysis of Poisson’s and Pugh’s ratios shows that these materials become ductile for pressures in the range 10–20 GPa. The evolution of the longitudinal sound velocity under pressure indicates the hardening of the corresponding phonons in both materials.

First-principles investigation of the electronic, mechanical, and thermodynamic properties of europium carbide

The electronic, mechanical, and thermodynamic properties of europium carbide (EuC2) are investigated using first-principles density functional theory within the generalized gradient approximation. The calculated elastic constants indicate that EuC2 is mechanically stable. The shear modulus, Young’s modulus, Poisson’s ratio, the bulk modulus – shear modulus ratio, shear anisotropy, and elastic anisotropy are also calculated. Finally, we obtain the Vickers hardness, averaged sound velocity, longitudinal sound velocity, transverse sound velocity, Debye temperature, melting point, and thermal conductivity of EuC2.

FIRST-PRINCIPLES INVESTIGATION OF THE ELECTRONIC, ELASTIC AND THERMODYNAMIC PROPERTIES OF SUPERCONDUCTING MgB2

The electronic structure, elastic properties, Debye temperature and thermal conductivity of MgB 2 are investigated by using the first-principles density function theory within the generalized gradient approximation (GGA). The calculated elastic constants indicate that the MgB 2 is mechanically stable. The shear modulus, Young's modulus, Poisson's ratio, σ, the ratio B/G and universal anisotropy index are also calculated. Finally, the averaged sound velocity, longitudinal sound velocity, transverse sound velocity, Debye temperature and thermal conductivity are obtained.