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At least 37 records · Page 2

Nanoscale Polarization-Dependent Young’s Modulus of Ferroelectric BaTiO 3 Single Crystals

Flexoelectric fields produced by strong strain gradients at the nanoscale couple to ferroelectric polarization, promoting changes in the mechanical properties of ferroelectric materials as a function of the direction of the ferroelectric polarization. In this work, we calculate the asymmetry in the Young’s modulus found in oppositely polarized out-of-plane domains of BaTiO 3 single crystals by means of contact resonance AFM, and we evaluate its impact on the electromechanical response as measured by piezoresponse force microscopy, both using band excitation modes. Furthermore, we analyze the electromechanical response of the different BaTiO 3 domains using k-means to build up their mean elastic and electromechanical features and quantify the flexoelectrically induced modulation of the Young’s modulus. Finally, we discuss the use of contact Kelvin probe force microscope measurements to decouple electrostatic artifacts from purely piezoelectric ones when flexoelectric coupling appears.

BaTiO 3 single crystals↗

Method for measuring static Young's modulus of tungsten to 1900 K

An instrument system was developed and tested to measure static Young's modulus of elasticity of refractory metals in tension at temperatures to 1900 K. The extensometer uses capacitance displacement sensors for measuring total elongation of a specimen and incorporates a unique high-resolution remote zero-adjusting mechanism. Details of a method for calibrating capacitance displacement sensors at temperatures to 800 K are included. The system was built to adapt to a vacuum furnace on a tensile machine and was tested on unalloyed tungsten rod specimens. The test results show that the system can measure the modulus of tungsten to 1900 K to within a precision of + or - 5 percent. The uncertainty of the measurement is estimated to be of the same order as the precision.

Harrigill, W. T., Jr.↗

Machine learning assisted prediction of the Young’s modulus of compositionally complex alloys

We identify compositionally complex alloys (CCAs) that offer exceptional mechanical properties for elevated temperature applications by employing machine learning (ML) in conjunction with rapid synthesis and testing of alloys for validation to accelerate alloy design. The advantages of this approach are scalability, rapidity, and reasonably accurate predictions. ML tools were implemented to predict Young’s modulus of refractory-based CCAs by employing different ML models. Our results, in conjunction with experimental validation, suggest that average valence electron concentration, the difference in atomic radius, a geometrical parameter λ and melting temperature of the alloys are the key features that determine the Young’s modulus of CCAs and refractory-based CCAs. The Gradient Boosting model provided the best predictive capabilities (mean absolute error of 6.15 GPa) among the models studied. Our approach integrates high-quality validation data from experiments, literature data for training machine-learning models, and feature selection based on physical insights. It opens a new avenue to optimize the desired materials property for different engineering applications.

36 MATERIALS SCIENCE↗

Ab Initio Study of the Electronic Structure, Elastic Properties, Magnetic Feature and Thermodynamic Properties of the Ba{sub 2}NiMoO{sub 6} Material

We report first-principles calculations of the elastic properties, electronic structure and magnetic behavior performed over the Ba{sub 2}NiMoO{sub 6} double perovskite. Calculations are carried out through the full-potential linear augmented plane-wave method within the framework of the Density Functional Theory (DFT) with exchange and correlation effects in the Generalized Gradient and Local Density Approximations, including spin polarization. The elastic properties calculated are bulk modulus (B), the elastic constants (C{sub 11}, C{sub 12} and C{sub 44}), the Zener anisotropy factor (A), the isotropic shear modulus (G), the Young modulus (Y) and the Poisson ratio (υ). Structural parameters, total energies and cohesive properties of the perovskite are studied by means of minimization of internal parameters with the Murnaghan equation, where the structural parameters are in good agreement with experimental data. Furthermore, we have explored different antiferromagnetic configurations in order to describe the magnetic ground state of this compound. The pressure and temperature dependence of specific heat, thermal expansion coefficient, Debye temperature and Grüneisen parameter were calculated by DFT from the state equation using the quasi-harmonic model of Debye. A specific heat behavior C{sub V} ≈ C{sub P} was found at temperatures below T = 400 K, with Dulong–Petit limit values, which is higher than those, reported for simple perovskites.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Young’s modulus of V 3 O 5 thin films

Vanadium oxide V 3 O 5 exhibits an insulator-to-metal transition (IMT) near 430 K, which is the highest value for all vanadium oxides exhibiting IMTs. This makes it interesting for advanced electronic applications. However, the properties of V 3 O 5 have been little studied, and, in particular, there are no reports of experimentally determined mechanical properties. In this work, Young’s modulus of sputter-deposited V 3 O 5 thin films has been determined by measuring the fundamental resonant frequency of V 3 O 5 -coated silicon microcantilevers using a laser beam deflection technique. After deposition, the films were characterized by x-ray diffraction, resistivity measurements, and atomic force microscopy. The value of Young’s modulus experimentally determined for V 3 O 5 was 198 ± 14 GPa, which is slightly lower than the computationally derived values for bulk crystal V 3 O 5 .

36 MATERIALS SCIENCE↗

Measurements of dynamic Young's modulus in short specimens with the PUCOT

The piezoelectric ultrasonic composite oscillator technique (PUCOT) was used at frequencies in the range 40 to 150 kHz to measure dynamic Young's modulus for short-length single crystals of copper at temperatures in the range 25 to 650 C and for polycrystalline copper at room temperature. Corrections to the modulus for variations in length/diameter resulted in no loss of precision due to wave velocity dispersion.

Wickstrom, S. N.↗

Young's modulus evaluation of high burnup structure in UO 2 with nanometer resolution

The mechanical properties of a well-characterized irradiated light water reactor fuel pin with an average burnup of 72 MWd/kgU were investigated by utilizing nano-indentation technique. Young's modulus and hardness are reported as functions of radial positions covering from mid radial position in the urania pellet to high burnup structure, fuel-cladding chemical interaction zone and zirconium-based cladding. Here, by probing microstructure of the high burnup zone, the mechanical properties of sub-grains and the interaction between them were examined at the nanometer scale. Force-displacement curves from each of these individual sub-grains suggest they resemble single crystal UO 2 . However, these restructured grains are weakly bonded to their neighbors.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Method for in-situ nondestructive measurement of Young's modulus of plate structures

A method for determining stiffness of a composite laminate plate entails disposing a device for generating an acoustical pulse against a surface of the plate and disposing a detecting device against the same surface spaced a known distance from the pulse-generating device, and using the pulse-generating device to emit a pulse so as to create an extensional wave in the plate. The detecting device is used to determine a time of flight of the wave over the known distance, and the wave velocity is calculated. A Young's modulus of the plate is determined based on the wave velocity. Methods for both anisotropic and quasi-isotropic laminates are disclosed.

Huang, Jerry Qixin↗

Apparatus for in-situ nondestructive measurement of Young's modulus of plate structures

A method and apparatus for determining stiffness of a plate-like structure including a monolithic or composite laminate plate entails disposing a device for generating an acoustical pulse against a surface of the plate and disposing a detecting device against the same surface spaced a known distance from the pulse-generating device, and using the pulse-generating device to emit a pulse so as to create an extensional wave in the plate. The detecting device is used to determine a time of flight of the wave over the known distance, and the wave velocity is calculated. A Young's modulus of the plate is determined by a processor based on the wave velocity. Methods and apparatus for evaluating both isotropic plates and anisotropic laminates are disclosed.

Huang, Jerry Qixin↗

Boron–Carbon Nanocomposites Fabricated at High Pressures and Temperatures

Interaction of amorphous boron and C{sub 60} fullerite is analyzed at pressures of 2.0 and 7.7. GPa and temperatures of 600–1800°C. Effect of pressure and temperature on the material structure is studied, temperatures for synthesis of boron carbide and diamond are found, and the sequence of transformations of the carbon component is determined. Ultrasonic method is used to measure elastic moduli of the samples, and the dependences of the moduli on the structure are analyzed. It is demonstrated that the boron–carbon nanocomposite synthesized at relatively low pressure (2.0 GPa) and temperature (about 1000°C) exhibits high elastic parameters (bulk modulus, B ≈ 75.3–84.0 GPa; Young modulus, E ≈ 108–119 GPa; and shear modulus, G ≈ 43–47 GPa at a density of about 2.2 g/cm{sup 3}). The results can be used for development of novel nanocomposite materials.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

A micromechanics model for the effective Young's modulus of a piecewise-isotropic laminate with wavy patterns

A mathematical model based on the Euler-Bernoulli beam theory is proposed for predicting the effective Young's moduli of piece-wise isotropic composite laminates with wavy patterns in the main load-carrying layers. Strains in corrugated layers, in-phase layers, and out-of-phase layers are predicted for various geometries and material configurations by assuming matrix layers as elastic foundations. Experimental results obtained from corrugated aluminum specimens and aluminum/epoxy specimens with in-phase and out-of-phase wavy patterns coincide very well with the predictions. The work represents a preliminary effort toward further generalization of the model for two-dimensional anisotropic laminates containing wavy patterns in the main load-carrying layers.

Lee, Jong-Won↗

A deformation-formulated micromechanics model of the effective Young's modulus and strength of laminated composites containing local ply curvature

A mathematical model based on the Euler-Bermoulli beam theory is proposed for predicting the effective Young's moduli of piecewise isotropic composite laminates with local ply curvatures in the main load-carrying layers. Strains in corrugated layers, in-phase layers, and out-of-phase layers are predicted for various geometries and material configurations by assuming matrix layers as elastic foundations of different spring constants. The effective Young's moduli measured from corrugated aluminum specimens and aluminum/epoxy specimens with in-phase and out-of-phase wavy patterns coincide very well with the model predictions. Moire fringe analysis of an in-phase specimen and an out-of-phase specimen are also presented, confirming the main assumption of the model related to the elastic constraint due to the matrix layers. The present model is also compared with the experimental results and other models, including the microbuckling models, published in the literature. The results of the present study show that even a very small-scale local ply curvature produces a noticeable effect on the mechanical constitutive behavior of a laminated composite.

Lee, Jong-Won↗

Meteorite Material Model for Structural Properties

To assess the threat posed by an asteroid entering Earth's atmosphere, one must predict if, when, and how it fragments during entry. A comprehensive understanding of the asteroid material properties is needed to achieve this objective. At present, the meteorite material found on earth are the only objects from an entering asteroid that can be used as representative material and be tested inside a laboratory setting. Due to complex petrology, it is technically challenging and expensive to obtain reliable material properties by means of laboratory test for a family of meteorites. In order to circumvent this challenge, meteorite unit models are developed to determine the effective material properties including Youngs modulus, compressive and tensile strengths and Poissons ratio, that in turn would help deduce the properties of asteroids. The meteorite unit is a representative volume that accounts for diverse minerals, porosity, cracks and matrix composition. The Youngs Modulus and Poissons Ratio in the meteorite units are calculated by performing several hundreds of Monte-Carlo simulations by randomly distributing the various phases inside these units. Once these values are obtained, cracks are introduced in these meteorite units. The size, orientation and distribution of cracks are derived by extensive CT-scans and visual scans of various meteorites from the same family. Subsequently, simulations are performed to attain stress-strain relations, strength and effective modulus values in the presence of these cracks. The meteorite unit models are presented for H, L and LL ordinary chondrites, as well as for terrestrial basalt. In the case of the latter, data from the simulations is compared with experimental data to validate the methodology. These material models will be subsequently used in fragmentation modeling of full scale asteroids.

Meteorite↗

Analytical Model of the Nonlinear Dynamics of Cantilever Tip-Sample Surface Interactions for Various Acoustic-Atomic Force Microscopies

A comprehensive analytical model of the interaction of the cantilever tip of the atomic force microscope (AFM) with the sample surface is developed that accounts for the nonlinearity of the tip-surface interaction force. The interaction is modeled as a nonlinear spring coupled at opposite ends to linear springs representing cantilever and sample surface oscillators. The model leads to a pair of coupled nonlinear differential equations that are solved analytically using a standard iteration procedure. Solutions are obtained for the phase and amplitude signals generated by various acoustic-atomic force microscope (A-AFM) techniques including force modulation microscopy, atomic force acoustic microscopy, ultrasonic force microscopy, heterodyne force microscopy, resonant difference-frequency atomic force ultrasonic microscopy (RDF-AFUM), and the commonly used intermittent contact mode (TappingMode) generally available on AFMs. The solutions are used to obtain a quantitative measure of image contrast resulting from variations in the Young modulus of the sample for the amplitude and phase images generated by the A-AFM techniques. Application of the model to RDF-AFUM and intermittent soft contact phase images of LaRC-cp2 polyimide polymer is discussed. The model predicts variations in the Young modulus of the material of 24 percent from the RDF-AFUM image and 18 percent from the intermittent soft contact image. Both predictions are in good agreement with the literature value of 21 percent obtained from independent, macroscopic measurements of sheet polymer material.

Cantrell, John H., Jr.↗

Probabilistic Evaluation of Geomechanical Risks in CO2 Storage: An Exploration of Caprock Integrity Metrics Using a Multilaminate Model

The probabilistic uncertainty assessment of geomechanical risk—specifically, caprock failure—attributable to CO2 injection, as presented in a simplified hypothetical geological model, was the focus of this study. Our approach amalgamates the implementation of a multilaminate model, the creation of a response surface model in conjunction with the Box–Behnken sampling design, the execution of associated numerical modeling experiments, and the utilization of Monte Carlo simulations. Probability distributions to encapsulate the inherent variability (elastic and mechanical properties of the caprock and reservoir) and uncertainty in prediction estimates (vertical displacement, total strain, and F value) were employed. Our findings reveal that the Young modulus of the caprock is a key factor controlling equivalent total strain but is insufficient as a stand-alone indicator of caprock integrity. It is confirmed that the caprock can accommodate significant deformation without failure, if it possesses a low Young’s modulus and high mechanical strength properties, such as the friction angle and uniaxial compressive strength. Similarly, vertical displacement was found to be an unreliable indicator for caprock integrity, as caprock failure can occur across a broad spectrum of vertical displacements, particularly when both the Young modulus and mechanical strength properties have wide ranges. This study introduces the F value as the most dependable indicator for caprock failure, although it is a theoretical attribute (the shortest distance between the Mohr circle and the nearest failure envelope used to measure the sensitivity to failure) and not physically measurable in the field. Deviatoric stress levels were found to vary based on stress regimes, with the maximum levels observed under extensive and compressive stress regimes. In conjunction with the use of the response surface method, this study demonstrates the efficacy of the multilaminate framework and the Mohr–Coulomb constitutive model in providing a simplified, yet effective, probabilistic model of the mechanical behavior of caprock failure, reducing mathematical and computational complexities.

Energy & Fuels↗