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At least 19 records

Uncertainty quantification in elastic constants of SiC f /SiC m tubular composites using global sensitivity analysis

Silicon carbide fiber and silicon carbide matrix (SiC f /SiC m ) tubes produced through the chemical vapor infiltration process have become a candidate cladding material in nuclear applications. The performance of this composite is influenced by many variables such as braiding angle, porosity, material properties, etc., which vary over a range of values due to the inherent fluctuations in the manufacturing process. In this study, the variability in elastic constants of SiC f /SiC m composite has been quantified through multiscale finite element (FE) simulations, variable screening, and high-fidelity surrogate modeling. The key variables dominantly affecting the elastic constants of SiC f /SiC m tubes were identified using global sensitivity analysis. A surrogate to the high-fidelity FE-based model was used in Monte Carlo simulations to generate a hundred thousand samples from which the uncertainty in elastic constants was assessed. It turned out that the coefficient of variation was less than 10%.

Materials Science↗

Fifth-degree elastic energy for predictive continuum stress–strain relations and elastic instabilities under large strain and complex loading in silicon

Materials under complex loading develop large strains and often phase transformation via an elastic instability, as observed in both simple and complex systems. Here, we represent a material (exemplified for Si I) under large Lagrangian strains within a continuum description by a 5th-order elastic energy found by minimizing error relative to density functional theory (DFT) results. The Cauchy stress—Lagrangian strain curves for arbitrary complex loadings are in excellent correspondence with DFT results, including the elastic instability driving the Si I → II phase transformation (PT) and the shear instabilities. PT conditions for Si I → II under action of cubic axial stresses are linear in Cauchy stresses in agreement with DFT predictions. Such continuum elastic energy permits study of elastic instabilities and orientational dependence leading to different PTs, slip, twinning, or fracture, providing a fundamental basis for continuum physics simulations of crystal behavior under extreme loading.

36 MATERIALS SCIENCE↗

Fifth-degree elastic energy for predictive continuum stress-strain relations and elastic instabilities under large strain and complex loading in silicon

Materials under complex loading develop large strains and often phase transformation via an elastic instability, as observed in both simple and complex systems. Here, we represent a material (exemplified for Si I) under large Lagrangian strains within a continuum description by a 5th-order elastic energy found by minimizing error relative to density functional theory (DFT) results. The Cauchy stress—Lagrangian strain curves for arbitrary complex loadings are in excellent correspondence with DFT results, including the elastic instability driving the Si I → II phase transformation (PT) and the shear instabilities. PT conditions for Si I → II under action of cubic axial stresses are linear in Cauchy stresses in agreement with DFT predictions. Such continuum elastic energy permits study of elastic instabilities and orientational dependence leading to different PTs, slip, twinning, or fracture, providing a fundamental basis for continuum physics simulations of crystal behavior under extreme loading.

Levitas, Valery↗

Sound velocities of iron-nickel (Fe90Ni10) alloy up to 8 GPa and 773 K: The effect of nickel on the elastic properties of bcc-iron at high P-T

Sound velocities of iron and iron-based alloys at high pressure and high temperature are crucial for understanding the composition and structure of Earth’s and other telluric planetary cores. In this study, we performed ultrasonic interferometric measurements of both compressional (ν P ) and shear (ν S ) velocities on a polycrystalline body-centered-cubic (bcc)-Fe 90 Ni 10 up to 8 GPa and 773 K. The elastic moduli and their pressure and temperature derivatives are derived from least-square fits to third-order finite strain equations, yielding K S0 = 154.2(8) GPa, G 0 = 73.2(2) GPa, K' S0 = 4.6(2), G' 0 = 1.5(1), ∂K S /∂T = –0.028(1) GPa/K, and ∂G/∂T = –0.023(1) GPa/K. Furthermore, a comparison with literature data on bcc-Fe suggests that nickel not only decreases both P and S wave velocities but also weakens the temperature effects on the elastic moduli of Fe-Ni alloys.

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↗

High‐Pressure and High‐Temperature Single‐Crystal Elasticity of Cr‐Pyrope: Implications for the Density and Seismic Velocity of Subcontinental Lithospheric Mantle

Abstract Single‐crystal X‐ray diffraction and Brillouin spectroscopy experiments were performed on a natural Cr‐pyrope (Prp 71.0 Alm 12.6 Sps 0.7 Grs 3.5 Uvr 12.2 ) at high pressure and high temperature up to 11.0 GPa and 800 K. Fitting the collected data to the third‐order finite strain equation yields bulk modulus ( K S 0 ), shear modulus ( G 0 ), their pressure ((∂ K S /∂ P ) T and (∂ G /∂ P ) T ) and temperature (( ∂K S /∂T ) P and ( ∂G/∂T ) P ) derivatives, K S 0 = 167.7(8) GPa, G 0 = 91.5(5) GPa, (∂ K S /∂ P ) T = 4.3(1), (∂ G /∂ P ) T = 1.4(1), ( ∂K S /∂T ) P = − 0.0175(1) GPa/K and ( ∂G/∂T ) P = − 0.0073(1) GPa/K. Using the obtained results, we examined whether the elastic properties of the Cr‐pyrope can be accurately calculated from those of endmembers including pyrope, almandine, grossular, and uvarovite assuming a linear relationship between elastic properties and composition (end‐member model). The results indicate that the end‐member model provides a sufficient approximation for the elastic properties of Cr‐pyrope in calculating the density and velocity of the subcontinental lithospheric mantle (SCLM). We modeled the densities and velocities of three typical types of SCLM (Archon, Proton, and Tecton) in order to investigate how the variation of chemical composition influences the SCLM. We obtained that the compositional change from the Archon to the Tecton increases the density of the SCLM significantly, which can be an important prerequisite for SCLM delamination. However, the compositional variation only slightly changes the velocity of the SCLM and the change is within the uncertainty of the calculation. Moreover, in comparison to the velocity, ρ / V P and ρ / V S are much more sensitive to the compositional change of the SCLM.

Xu, Jingui↗

Softening of breathing elastic mode and trigonal elastic mode in the disordered pyrochlore magnet NaCaCo 2 F 7

Cobalt pyrochlore fluoride NaCaCo 2 F 7 is a disordered frustrated magnet that is composed of Co 2+ ions with an effective spin-12 magnetic moment and that exhibits spin freezing below $T_f ~$ 2.4 K. Here, we perform ultrasound velocity measurements on a single crystal of the cubic NaCaCo 2 F 7 . The temperature dependence of the bulk modulus (the breathing elastic mode) exhibits Curie-type softening upon cooling below ~20 K down to $T_f$, which is suppressed by the magnetic field. This Curie-type softening should be a precursor to the enhancement of the strength of exchange disorder via the spin-lattice coupling, which causes the spin freezing. In contrast to the magnetic-field-suppressed Curie-type softening in the bulk modulus, the trigonal shear modulus exhibits softening with a characteristic minimum upon cooling, which is enhanced by the magnetic field at temperatures below ~20 K. This magnetic-field-enhanced elastic anomaly in the trigonal shear modulus suggests a coupling of the lattice to the dynamical spin-cluster state. For NaCaCo 2 F 7 , the observed elastic anomalies reveal an occurrence of magnetic-field-induced crossover from an isostructural lattice instability toward the spin freezing to a trigonal lattice instability arising from the emergent dynamical spin-cluster state.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Failure Criteria and Temperature Dependent Elastic Constants in the 3-D Elastic Orthotropic Model

Recent points of emphasis in the Library of Advanced Materials for Engineering (LAMÉ) have been to enable flexibility in formulations via the adoption of a variety of modular frameworks. While more established phenomenologies such as plasticity and viscoelasticity have been considered, elastically orthotropic models (e.g. elastic_3D_orthotropic) have not. For the elasticity component, not much can be modularized. However, a potential feature of interest would be the evaluation of failure criteria to consider the possibility of damage. Many such forms exist in the literature providing a good basis for modularity.

36 MATERIALS SCIENCE↗

Structural disorder, sublattice melting, and thermo-elastic properties of anti-perovskite Li 3 OBr under high pressure and temperature

Here, in situ synchrotron x-ray diffraction experiments were conducted in the system Li-O-Br at pressures up to 6.5 GPa and temperatures up to the melting points. The thermal equation of state determined from the P–V–T measurements indicates that crystalline anti-perovskite Li 3 OBr exhibits similar thermo-elastic properties to common salts. At temperatures that are 50–75 °C below the crystal melting, a pre-melting behavior was inferred based on weakened Bragg intensity and a substantial increase in the diffuse scattering. Concurrent with the onset of pre-melting, an anomalous increase in the lattice volume was observed and is interpreted as anion sublattice disorder. These findings support previous ab initio molecular dynamics simulations based on a simple anion interchange mechanism, indicating that structural disorder below crystal melting temperature can be a main driving force for Li-sublattice melting and superionic transition in the Li 3 OBr anti-perovskite.

36 MATERIALS SCIENCE↗

Direction-dependent elastic wave scattering and mode coupling in elastic plates

Asymmetric scattering is a phenomenon in which the field scattered from a discontinuity is dependent on the direction of incidence. In waveguide systems such as elastic plates, the existence of multiple propagating modes provides a platform to explore asymmetric scattering through direction-dependent mode coupling. This paper describes this concept in the context of reciprocal systems and how to utilize it in a general manner.

Haberman, Michael↗

Necessary and sufficient conditions for resonant mixing of plane waves in elastic solids with quadratic nonlinearity

This paper studies the interactions of two plane waves in elastic solids with quadratic nonlinearity. In particular, the necessary and sufficient conditions for resonant mixing of two plane waves are derived. It is shown that the conventional resonance condition for resonant mixing of plane waves is only a necessary condition, not sufficient. Based on the newly derived necessary and sufficient conditions, resonant mixing of various types of plane waves are investigated and specific conditions for generating a resonant mixed wave are obtained for each case. These results are useful for developing nonlinear ultrasonic nondestructive evaluation techniques using the wave mixing method.

Gao, Xiang↗

New insights into the mechanism governing the elasticity of calcium silicate hydrate gels exposed to high temperature: A molecular dynamics study

When exposed to fire, the integrity of cement-based materials is governed by thermally-induced changes in the mechanical properties of their binding phase, i.e., the calcium–silicate–hydrate (C–S–H) gel. However, the effect of temperature on the structure, density, and mechanical properties of C–S–H remains only partially known. Here, based on reactive molecular dynamics simulations, we reveal the nature of thermally-induced damage in C–S–H gels. In general, we show that, at the atomic scale, exposure to high temperature results in partial dehydration, volumetric shrinkage, disordering, and stiffening in the C–S–H grains. However, we show that the thermal response of C–S–H strongly depends on its chemical composition, wherein C–S–H systems associated with lower Ca/Si molar ratios are able to undergo higher temperatures before amorphization. Based on these results, we demonstrate that the stiffness of C–S–H gels (i.e., including porosity—as probed by nanoindentation) is governed by a competition between the stiffening of the grains and the decrease in packing density—wherein the latter eventually become predominant.

36 MATERIALS SCIENCE↗