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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 91 records · Page 5
All sourcesNASA NTRSDOE OSTI
NASA NTRS1942

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↗
DOE OSTI2019

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↗
DOE OSTI2016

Effect of film thickness on structural and mechanical properties of AlCrN nanocompoite thin films deposited by reactive DC magnetron sputtering

In this study, the influence of film thickness on the structural, surface morphology and mechanical properties of Aluminum chromium nitride (AlCrN) thin films has been successfully investigated. The AlCrN thin films were deposited on silicon (100) substrate using dc magnetron reactive co-sputtering at substrate temperature 400° C. The structural, surface morphology and mechanical properties were studied using X-ray diffraction, field-emission scanning electron microscopy and nanoindentation techniques respectively. The thickness of these thin films was controlled by varying the deposition time therefore increase in deposition time led to increase in film thickness. X-ray diffraction pattern of AlCrN thin films with different deposition time shows the presence of (100) and (200) orientations. The crystallite size varies in the range from 12.5 nm to 36.3 nm with the film thickness due to surface energy minimization with the higher film thickness. The hardness pattern of these AlCrN thin films follows Hall-Petch relation. The highest hardness 23.08 Gpa and young modulus 215.31 Gpa were achieved at lowest grain size of 12.5 nm.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2018

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↗
DOE OSTI2014

Electronic structures, elastic properties, and minimum thermal conductivities of cermet M{sub 3}AlN

The electronic structures and elastic anisotropies of cubic Ti{sub 3}AlN, Zr{sub 3}AlN, and Hf{sub 3}AlN are investigated by pseudopotential plane-wave method based on density functional theory. At the Fermi level, the electronic structures of these compounds are successive with no energy gap between conduct and valence bands, and exhibit metallicity in ground states. In valence band of each partial density of states, the different orbital electrons indicate interaction of corresponding atoms. In addition, the anisotropy of Hf{sub 3}AlN is found to be significantly different from that of Ti{sub 3}AlN and Zr{sub 3}AlN, which involve the differences in the bonding strength. It is notable that Hf{sub 3}AlN is a desired thermal barrier material with the lowest thermal conductivity at high temperature among the three compounds. - Graphical abstract: 1.Young's moduli of anti-perovskite Ti{sub 3}AlN, Zr{sub 3}AlN, and Hf{sub 3}AlN in full space. 2.Electron density differences on crystal planes (1 0 0), (2 0 0), and (1 1 0) of anti-perovskite Zr{sub 3}AlN. - Highlights: • We calculated three anti-perovskite cermets with first-principles theory. • We illustrated 3D Young modulus and found the anomalous anisotropy. • We explained the anomaly and calculated the minimum thermal conductivities.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2014

Structural characterisation of BaTiO{sub 3} thin films deposited on SrRuO{sub 3}/YSZ buffered silicon substrates and silicon microcantilevers

We report on the progress towards an all epitaxial oxide layer technology on silicon substrates for epitaxial piezoelectric microelectromechanical systems. (101)-oriented epitaxial tetragonal BaTiO{sub 3} (BTO) thin films were deposited at two different oxygen pressures, 5.10{sup −2} mbar and 5.10{sup −3} mbar, on SrRuO{sub 3}/Yttria-stabilized zirconia (YSZ) buffered silicon substrates by pulsed laser deposition. The YSZ layer full (001) orientation allowed the further growth of a fully (110)-oriented conductive SrRuO{sub 3} electrode as shown by X-ray diffraction. The tetragonal structure of the BTO films, which is a prerequisite for the piezoelectric effect, was identified by Raman spectroscopy. In the BTO film deposited at 5.10{sup −2} mbar strain was mostly localized inside the BTO grains whereas at 5.10{sup −3} mbar, it was localized at the grain boundaries. The BTO/SRO/YSZ layers were finally deposited on Si microcantilevers at an O{sub 2} pressure of 5.10{sup −3} mbar. The strain level was low enough to evaluate the BTO Young modulus. Transmission electron microscopy (TEM) was used to investigate the epitaxial quality of the layers and their epitaxial relationship on plain silicon wafers as well as on released microcantilevers, thanks to Focused-Ion-Beam TEM lamella preparation.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2019

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↗
DOE OSTI2018

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↗
DOE OSTI2021

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↗
DOE OSTI2018

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↗
DOE OSTI2014

Mechanical and thermal properties of h-MX{sub 2} (M = Cr, Mo, W; X = O, S, Se, Te) monolayers: A comparative study

Using density functional theory, we obtain the mechanical and thermal properties of MX{sub 2} monolayers (where M = Cr, Mo, W and X = O, S, Se, Te). The Γ-centered phonon frequencies (i.e., A{sub 1}, A{sub 2}{sup ″}, E′, and E″), relative frequency values of A{sub 1}, and E′ modes, and mechanical properties (i.e., elastic constants, Young modulus, and Poisson's ratio) display a strong dependence on the type of metal and chalcogenide atoms. In each chalcogenide (metal) group, transition-metal dichalcogenides (TMDCs) with W (O) atom are found to be much stiffer. Consistent with their stability, the thermal expansion of lattice constants for TMDCs with O (Te) is much slower (faster). Furthermore, in a heterostructure of these materials, the difference of the thermal expansion of lattice constants between the individual components becomes quite tiny over the whole temperature range. The calculated mechanical and thermal properties show that TMDCs are promising materials for heterostructures.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Effect of reprocessing cycles on the degradation of polypropylene copolymer filled with talc or montmorillonite during injection molding process

Mechanical recycling of polymeric materials is a favorable technique resulting in economic and environmental benefits, especially in the case of polymers with a high production volume as the polypropylene copolymer (PP). However, recycling by reprocessing techniques can lead to thermal, mechanical or thermo-oxidative degradation that can affect the structure of the polymer and subsequently the material properties. PP filled with montmorillonite (MMT) or talc are widely produced and studied, however, its degradation reactions by reprocessing cycles are poorly studied so far. In this study, the effects of reprocessing cycles in the structure and in the properties of the PP/MMT and PP/Talc were evaluated. The samples were mixed with 5% talc or MMT Cloisite C15A in a twin-screw extrusion. After extrusion, this filled material was submitted to five reprocessing cycles through an injection molding process. In order to evaluate the changes induced by reprocessing techniques, the samples were characterized by DSC, FT-IR, Izod impact and tensile strength tests. The study showed that Young modulus, elongation at brake and Izod impact were not affected by reprocessing cycles, except when using talc. In this case, the elongation at brake reduced until the fourth cycle, showing rigidity increase. The DSC results showed that melting and crystallization temperature were not affected. A comparison of FT-IR spectra of the reprocessed indicated that in both samples, between the first and the fifth cycle, no noticeable change has occurred. Thus, there is no evidence of thermo oxidative degradation. In general, these results suggest that PP reprocessing cycles using MMT or talc does not change the material properties until the fifth cycle.

36 MATERIALS SCIENCE↗
DOE OSTI2018

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↗
DOE OSTI2017

Two-Step Procedure of Fly Ash Modification as an Alternative Method for Creation of Functional Composite

An appropriate filler is a key component required to achieve an useful composite with expected properties. Not only sophisticated types of filler, like graphene are popular, but also more common ones, like silica flour or fly ash because of their low costs. Besides production costs, adequate size and possibility of functionalization of particles surface to create stable bonds with a matrix are essential in filler selection. To create an useful filler for epoxy resin based composites with use of a waste material, namely fly ash, two-step procedure was proposed. In the first part, raw material was sieved and five different ranges of the filler size were obtained. After mechanical tests with fracture toughness, tensile strength and Young Modulus, as well thermal conductivity, the best size of the fly ash was chosen for further modification. During the second step, filler was modified with coupling agent [3-(2-aminoethylamino)propyl]trimethoxysilane in order to enhance the coupling between particular components of composite. Presence of the silane layer was confirmed with infrared spectroscopy and scanning electron microscopy measurements, whilst prepared epoxy composite filled with silanized fly ash was examined similarly as previous composites. Obtained results have proved the significant influence of size of a filler and bonding to the matrix on mechanical and thermal properties of fly ash-epoxy resin composite. Proposed simple method of fly ash modification is an environmentally friendly way for utilization of the fly ash. Moreover, it creates an alternative material applicable in electrical devices as functional composite.

36 MATERIALS SCIENCE↗
DOE OSTI2019

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↗
DOE OSTI2020

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↗
DOE OSTI2014

Effect of CNTs dispersion on the thermal and mechanical properties of Cu/CNTs nanocomposites

Modified technique of metal injection molding (MIM) was used to fabricate multiwalled carbon nanotube (CNT) reinforced Cu nanocomposites. The effect of adding different amount of CNTs (0-10 vol.%) on the thermal and mechanical behaviour of the fabricated nanocomposites is presented. Scanning electron microscope analysis revealed homogenous dispersion of CNTs in Cu matrices at different CNTs contents. The experimentally measured thermal conductivities of Cu/CNTs nanocomposites showed extraordinary increase (76% higher than pure sintered Cu) with addition of 10 vol.% CNTs. As compared to the pure sintered Cu, increase in modulus of elasticity (Young's modulus) of Cu/CNTs nanocomposites sintered at 1050°C for 2.5 h was measured to be 48%. However, in case of 7.5 vol.% CNTs, Young's modulus was increased significantly about 51% compared to that of pure sintered Cu.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Investigation of the Mechanical Properties of GdBa{sub 2}Cu{sub 3}O{sub 7−δ} Added with Nanosized Ferrites ZnFe{sub 2}O{sub 4} and CoFe{sub 2}O{sub 4} Using Ultrasonic Measurement

Recently, there is much interest in studying the effect of nanosized ferrites addition on high- T{sub c} superconductors. However, little information is available on the mechanical properties. We have investigated the effect of (CoFe{sub 2}O{sub 4}){sub x} and (ZnFe{sub 2}O{sub 4}){sub x} nanosized ferrites with 0.01 ≤ x ≤ 0.40 on the mechanical properties of the high- T{sub c} superconducting compound GdBa{sub 2}Cu{sub 3}O{sub 7−δ} (Gd-123) prepared by the conventional solid-state reaction technique. Elastic parameters including shear modulus (G), bulk modulus (B), and Young’s modulus (E) of all samples were inspected using ultrasonic measurements and compared with Vickers microhardness results. Furthermore, the porosity of the samples was investigated and correlated to Young’s modulus, which was corrected to zero porosity using different models. The corrected values were correlated with Vickers microhardness. Moreover, the Debye temperature (θ{sub D}) and the electron-phonon coupling factor (λ) were also determined as a function of x. We observed that the different nanoparticles addition has influenced the Gd-123 compound differently. For (ZnFe{sub 2}O{sub 4}){sub x} added samples, the mechanical properties and Debye temperature improved up to x = 0.06, then deteriorated with further addition. However, (CoFe{sub 2}O{sub 4}){sub x} addition improved the mechanical properties for all samples with x up to 0.40. We found that the proportionality constant between the corrected values of E and H{sub v} and G and H{sub v} are strongly dependent on the porosity corrections and the kind of superconducting material. This indicates that the widely used formula E = 81.96 H{sub v} may not be valid for all types of superconducting materials.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗