Coefficient of thermal expansion and biaxial Young's modulus in Si-rich silicon nitride thin films
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Habermehl, Scott↗
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Calculation of Young’s Modulus of MoS{sub 2}-Based Single-Wall Nanotubes Using Force-Field and Hybrid Density Functional Theory
A force field is proposed that reproduces with a high accuracy a large number of properties of the bulk crystal MoS{sub 2} phases, monolayers, and nanotubes. The reproduced values are both the experimental results and the results of quantum chemical calculations. The elaborated interaction potential can be useful primarily for investigation of multiwall MoS{sub 2} nanotubes and their thermodynamic properties, especially, since the potential is able to reproduce the frequencies of the crystal phonon spectrum. In this study the proposed potential is applied to simulate the temperature dependence of a number of properties of the armchair and zigzag nanotubes. The calculations have been performed using molecular mechanics method within the framework of quasi harmonic approximation which is carried out through the estimation of the temperature dependence of the Helmholtz free energy.
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
Transverse Young's modulus of carbon/glass hybrid fiber composites
Hybrid fiber composites offer designers a means of tailoring the stress–strain behavior of lightweight materials used in high-performance structures. While the longitudinal stress–strain behavior of unidirectional hybrid fiber composites has been thoroughly evaluated experimentally and analytically, relatively little information is available on the transverse behavior. The objective of the current investigation is to present data on the transverse modulus of elasticity of unidirectional composites with five different ratios of carbon and glass fiber and to compare the data with predictive and fitted models. The transverse modulus increases monotonically with the proportion of glass fiber in the composite. Finite element analysis was used to evaluate different ways to model voids in the matrix and allowed the unknown transverse properties of the carbon fibers to be backed out using experimental data from the all-carbon composite. The finite element results show that the transverse modulus can be accurately modeled if voids are modeled explicitly in the matrix region and if modulus is calculated based on stress applied along the minimum interfiber distance path between adjacent fibers arranged in a rectangular array. The transverse modulus was under-predicted by the iso-stress model and was well predicted by a modified iso-stress model and a modified Halpin–Tsai model.
Materials Science↗
First Principle Mechanical and Thermodynamic Properties of Some TbX (X = S, Se) Compounds
The mechanical and thermodynamic results of some terbium chalcogenides, TbX (X = S, Se) compounds have been examined using full-potential linear augmented plane wave (FP-LAPW) method based on density functional theory. The local spin density approximation with Hubbard potential (LSDA+U) has been used for proper treatment of 4f-electrons of Tb. The magnetic moment of TbS and TbSe was calculated to be 5.44μ{sub B} and 5.57μ{sub B}, respectively. The ground state properties such as lattice parameter, bulk modulus, and pressure derivative of bulk modulus were obtained and found in good agreement with already available theory and experiment results. The mechanical properties such as Young modulus (E), shear modulus (G), Poisson ratio (υ), Cauchy pressure and B/G ratio were also predicted. Further, in thermodynamic properties, Debye temperatures (θ{sub D}), specific heats at constant volume(C{sub V}), thermal expansion co-efficient (α), and entropies (S) and their behavior with high temperature(0–1200 K) and pressure (0–50 GPa) were also predicted.
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
Investigation of the kinetics of crystallization of molten binary and ternary oxide systems Quarterly status report no. 3, Mar. 1 - May 31, 1966
Viscosity, electric resistivity, and Youngs modulus measurements of glass compositions for crystallization kinetics of oxide systems
YOUNGS MODULUS↗
Tensile and pack compressive tests of some sheets of aluminum alloy, 1025 carbon steel, and chromium-nickel steel
Tensile and compressive stress-strain curves, stress-deviation curves, and secant modulus-stress curves are given for longitudinal and transverse specimens of 17S-T, 24S-T, and 24S-RT aluminum-alloy sheet in thicknesses from 0.032 to 0.081 inch, 1025 carbon steel sheet in thicknesses of 0.054 and 0.120 inch, and chromium-nickel steel sheet in thicknesses form 0.020 to 0.0275 inch. Significant differences were found between the tensile and the compressive stress-strain curves, and also the corresponding corollary curves; similarly, differences were found between the curves for the longitudinal and transverse directions. These differences are of particular importance in considering the compressive strength of aircraft structures made of thin sheet. They are explored further for the case of compression by giving tangent modulus-stress curves in longitudinal and transverse compression and dimensionless curves of the ratio of tangent modulus to Young's modulus and of the ratio of reduced modulus for a rectangular section to Young's modulus, both plotted against the ratio of stress to secant yield strength.
Atchison, C S↗
The Effect of Citric Acid on Physicochemical Properties of Hydrophilic Carboxymethyl Starch-Based Films
The carboxymethyl starch-based films in a presence of citric acid were prepared by casting technique. The influence of citric acid content on physicochemical properties of obtained hydrophilic films were evaluated (solubility in water, moisture absorption, mechanical and thermal properties). The crosslinking of starch derivative chains has been confirmed by FTIR spectroscopy, however, an excess of citric acid could cause hydrolysis of carboxymethyl starch chains. The best mechanical performance has been noted for the system containing 30 wt% (the highest tensile strength as well Young modulus 160 kPa and 650 kPa, respectively) as well as the highest T{sub g} (ca. 58 °C). Additionally for the mentioned system the lowest solubility in water has been determined.
36 MATERIALS SCIENCE↗
A DFT Study on Structural, Electronic Mechanical and Thermodynamic Properties of 5f-Electron System BaAmO{sub 3}
The structural, electronic, mechanical and thermodynamic properties of the perovskite oxide BaAmO{sub 3} have been predicted using the full-potential linearized augmented plane wave (FP-LAPW) method. The equilibrium lattice constant, bulk modulus and pressure derivative were computed using different exchange correlations. The optimization of structure was carried out in ferromagnetic, anti-ferromagnetic and non-magnetic states, and the compound was found to be stable in the ferromagnetic state. A systematic study on the band structure and density of states was accomplished using generalized gradient approximation (GGA), Hubbard approximation (GGA + U) and modified Becke–Johnson exchange potential (mBJ),and the compound was found to have a half-metallic nature in all the approximations. The calculated total spin magnetic moment was found to be 5 μ{sub B} in all the approximations used. The second-order elastic constants, Young modulus, shear modulus, Poisson ratio and anisotropic factor have also been calculated. In order to have a complete understanding of BaAmO{sub 3}, the thermodynamic properties were studied in the pressure range of 0 to 40 GPa and the temperature range extending from 0 to 600 K.
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
The Effect of Zinc on the Structural, Electrical, and Mechanical Properties of YBCO-123 Superconducting Nanoparticles Prepared by an Acetate-Based Sol-Gel Process
In this study, zinc (Zn)-doped YBaCuO (YBCO)-123-based high-temperature superconducting samples were produced using the sol-gel method, which is commonly used for preparing nanosize materials. Zn ions were substituted by Cu ions (YBa{sub 2}Cu{sub 3-x}Zn{sub x}O), and Zn doping effects on structural, electrical, and mechanical properties of the YBCO-123 superconductors were examined in detail. Undoped sample was prepared under same conditions. X-ray diffraction analysis (XRD) was used to determine phase analysis and lattice parameters of the superconducting samples. To analyze the microstructure properties, scanning electron microscope (SEM) measurements were performed. Resistivity and microhardness measurements were also carried out for superconducting and mechanic properties, respectively. Vickers microhardness, young modulus, fracture toughness, and yield strength values of the samples were calculated. Microhardness measurements were analyzed using the Kick’s law, proportional sample resistance (PSR) model, EPD model, the Hays-Kendall (HK) approach, and indentation-induced cracking (IIC) model.
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
Ab Initio Investigation on Electronic, Magnetic, Mechanical, and Thermodynamic Properties of AMO{sub 3} (A = Eu, M = Ga, In) Perovskites
The structural, electronic, magnetic, elastic, and thermodynamic properties of cubic AMO{sub 3} perovskites (A = Eu, M = Ga, In) have been successfully studied within density functional theory using full-potential linearized augmented plane wave (FP-LAPW). The structural study reveals that both the compounds are stable in ferromagnetic states. The GGA + U calculated spin-polarized electronic band and density of states present the half-metallic nature of both the compounds. The magnetic moments calculated with different approximations were found to be approximately 6 μ{sub B} for EuGaO{sub 3} and approximately 7 μ{sub B} for EuInO{sub 3}. From elastic calculation, the three independent elastic constants (C{sub 11}, C{sub 12}, C{sub 44}) have been acquired to yield the mechanical properties like Young modulus (Y ), shear modulus (G), Poisson ratio (ν), and anisotropic factor (A). The calculated values of B/G show that both the compounds are ductile in nature. The thermodynamic study was also accomplished by exploring the thermodynamic parameters like specific heat, heat capacity, thermal expansion, Grüneisen parameter, Debye temperature, etc. within the temperature range 0 to 900 K and pressure range 0 to 50 GPa.
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
Assessment of mechanical, thermal properties and crystal shapes of monoclinic tricalcium silicate from atomistic simulations
The two most common polymorphs in industrial alite, M1 and M3, were characterized at the molecular scale. Different methods were employed and discussed to assess mechanical properties and specific heat of both polymorphs. The calculated homogenized elastic moduli and specific heat were found in good agreement with experimental measurements. A comparative analysis of spacial Youngs modulus reveal isotropic and anisotropic spacial distribution for M{sub 1} and M{sub 3} respectively. A more isotropic compressive strength is also reported for M{sub 1} when compared to M{sub 3} polymorph. Cleavage energies computation allowed to proposed equilibrium shapes for both polymorph, with significant differences. While the lowest cleavage energies were found along (100) and (001) for both polymorphs, the constructed M1 crystal possesses 3 independent facets, against seven for the M3 polymorph.
36 MATERIALS SCIENCE↗
The Probe Length Effect on the Cantilever of an Atomic Force Microscope in Measuring the Mechanical Properties of Living Neurons
Living sensory neurons were studied by atomic force microscopy in the PeakForce QNM mode under near-physiological conditions. The dependence of the measured apparent Young modulus of cells on the ratio of the probe height to the beam length on a used cantilever was revealed. A qualitative explanation based on the analysis of beam strains in two limit cases, in which the probe slides over a studied object and the probe sticks to the latter, was given to the obtained result. It was proposed to classify native cells by the character of their interaction with the probe (sliding or sticking).
71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
Estimating the mechanical properties of hydrating blended cementitious materials: An investigation based on micromechanics
The hydration model of Parrot & Killoh (1984) has been extended to blended cements and coupled to a micromechanical scheme similar to that of Pichler & Hellmich (2011) to estimate the Young modulus and the compressive strength of cementitious materials as a function of time. A finite aspect ratio of 7 is introduced to describe the shape of the hydrates and improve the estimate of the early age strength by the micromechanical scheme. Furthermore, accounting for the stress fluctuations in the cement paste partly explains the fact that the compressive strength of a concrete can be lower than that of its cement paste. Finally, the estimated physical properties are compared to numerous experimental measurements from the literature and new experimental measurements on blended cement pastes featuring significant weight fractions of limestone filler, fly ash or silica fume. It is shown that the present model slightly overestimates the dilution effect.
36 MATERIALS SCIENCE↗
An ab-initio Investigation: The Physical Properties of ScIr{sub 2} Superconductor
Using ab initio technique the physical properties of ScIr{sub 2} superconductor have been investigated with T{sub c} 1.03 K with a MgCu{sub 2}-type structure. We have carried out the plane-wave pseudopotential approach within the framework of the first-principles density functional theory (DFT) implemented within the CASTEP code. The calculated structural parameters confirm a good agreement with the experimental and other theoretical results. Using the Voigt-Reuss-Hill (VRH) averaging scheme the most important elastic properties including the bulk modulus B, shear modulus G, Young’s modulus E and Poisson’s ratio ν of ScIr{sub 2} are determined. At ambient condition, the values of Cauchy pressure and Pugh’s ratio exhibit ductile nature of ScIr{sub 2}. The electronic and optical properties of ScIr{sub 2} were investigated for the first time. The electronic band structure reveals metallic conductivity and the major contribution comes from Ir-5d states. In the ultraviolet region the reflectivity is high up to 50 eV as evident from the reflectivity spectrum.
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
A hybrid calibration approach to Hertz-type contact parameters for discrete element models
This study aims at providing a hybrid calibration framework to estimate Hertz-type contact parameters (particle-scale shear modulus and Poisson ratio) for both two-dimensional and three-dimensional discrete element modelling (DEM). On the basis of statistically isotropic granular packings, a set of analytical formulae between macroscopic material parameters (Young modulus and Poisson ratio) and particle-scale Hertz-type contact parameters for granular systems are derived under small-strain isotropic stress conditions. However, the derived analytical solutions are only estimated values for general models. By viewing each DEM modelling as an implicit mathematical function taking the particle-level parameters as independent variables and employing the derived analytical solutions as the initial input parameters, an automatic iterative scheme is proposed to obtain the calibrated parameters with higher accuracies. Considering highly nonlinear features and discontinuities of the macro-micro relationship in Hertz-based discrete element models, the adaptive moment estimation algorithm is adopted in this study because of its capacity of dealing with noise gradients of cost functions. Here, the proposed method is validated with several numerical cases including randomly distributed monodisperse and polydisperse packings. Noticeable improvements in terms of calibration efficiency and accuracy have been made.
Constitutive law↗
Soft elastic constants from phonon spectroscopy in hole-doped Ba 1-x (K,Na) x Fe 2 As 2 and Sr 1-x Na x Fe 2 As 2
We report inelastic x-ray scattering measurements of the in-plane polarized transverse acoustic phonon mode propagating along q ∥ [ 100 ] in various hole-doped compounds belonging to the 122 family of iron-based superconductors. Additionally, the slope of the dispersion of this phonon mode is proportional to the square root of the shear modulus C 66 in the q → 0 limit and, hence, sensitive to the tetragonal to orthorhombic structural phase transition occurring in these compounds. In contrast to a recent report for Ba ( Fe 0.94 Co 0.06 ) 2 As 2 [Weber et al. , Phys. Rev. B 98 , 014516 (2018) ], we find qualitative agreement between values of C 66 deduced from our experiments and those derived from measurements of the Young modulus in Ba 1 - x ( K , Na ) x Fe 2 As 2 at optimal doping. These results provide an upper limit of about 50 Å for the nematic correlation length for the investigated optimally hole-doped compounds. Furthermore, we also studied compounds at lower doping levels exhibiting the orthorhombic magnetic phase, where C 66 is not accessible by volume probes, as well as the C 4 tetragonal magnetic phase.
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
Two‐dimensional graphene oxide‐reinforced porous biodegradable polymeric nanocomposites for bone tissue engineering
Abstract This study investigates the mechanical properties and in vitro cytotoxicity of two‐dimensional (2D) graphene oxide nanoribbons and nanoplatelets (GONRs and GONPs) reinforced porous polymeric nanocomposites. Highly porous poly(propylene fumarate) (PPF) nanocomposites were prepared by dispersing 0.2 wt % single‐ and multiwalled SONRs (SWGONRs and MWGONRs) and GONPs. The mechanical properties of scaffolds were characterized using compression testing and in vitro cytocompatibility was assessed using QuantiFlour assay for cellularity and PrestoBlue assay for cell viability. Immunofluorescence was used to assess collagen‐I expression and deposition in the extracellular matrix. Porous PPF scaffolds were used as a baseline control and porous single and multiwalled carbon nanotubes (SWCNTs and MWCNTs) reinforced nanocomposites were used as positive controls. Results show that incorporation of 2D graphene nanomaterials leads to an increase in the mechanical properties of porous PPF nanocomposites with following the trend: MWGONRs > GONPs > SWGONRs > MWCNTs > SWCNTs > PPF control. MWGONRs showed the best enhancement of compressive mechanical properties with increases of up to 26% in compressive modulus (i.e., Young's modulus), ~60% in yield strength, and ~24% in the ultimate compressive strength. Addition of 2D nanomaterials did not alter the cytocompatibility of porous PPF nanocomposites. Furthermore, PPF nanocomposites reinforced with SWGONRs, MWGONRs, and GONPs show an improvement in the adsorption of collagen‐I compared to PPF baseline control. The results of this study show that 2D graphene nanomaterial reinforced porous PPF nanocomposites possess superior mechanical properties, cytocompatibility, and increased protein adsorption. The favorable cytocompatibility results opens avenues for in vivo safety and efficacy studies for bone tissue engineering applications. © 2019 Wiley Periodicals, Inc. J Biomed Mater Res Part A: 107A: 1143–1153, 2019.
Farshid, Behzad↗
Bio‐Based Piezo‐ and Thermoresistive Photocurable Sensing Materials from Acrylated Epoxidized Soybean Oil
Abstract Bio‐based photocurable polymers are increasingly in demand as environmentally friendly materials for advanced applications. Together with functional fillers, these represent a next step for the generation of functional and active smart materials, compatible with additive manufacturing technologies. Herein, acrylated epoxidized soybean oil (AESO) mixed with different amounts of reduced graphene oxide (rGO) up to 6 wt% in order to obtain UV‐curable piezoresistive and thermoresistive materials, is reported. It is shown that the addition of rGO to AESO hinders the curing process, but always maintains double bond conversions higher than 50%. Composites are characterized by a good dispersion of micrometric filler clusters. Further, the thermal stabilities are close to 300 °C and crosslinking degrees are above 1.75 mmol cm –3 . The Young modulus of the composites decreases with the addition of the rGO fillers, in particular for the higher filler contents, and electrical conductivities up to 0.13 S m –1 are obtained for the composites with the highest rGO content. UV‐curable composites with piezoresistive and thermoresistive responses suitable for applications are thus obtained, characterized by gauge factors around 26 for deformations up to 2% and maximum thermoresistive sensitivity of S = 0.43, values similar to the values obtained for petroleum‐based materials.
Mendes‐Felipe, Cristian↗