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At least 163 records · Page 9

Calculations of structural, elastic, electronic, magnetic and phonon properties of FeNiMnAl by the first principles

The electronic, elastic and dynamical properties of the quaternary alloy FeNiMnAl have been investigated using a pseudopotential plane wave method within the generalized gradient approximation (GGA). We determined the lattice parameters and the bulk modulus B. In addition, the elastic properties such as elastic constans (C{sub 11}, C{sub 12} and C{sub 44}), the shear modulus G, the young modulus E, the poisson's ratio σ and the B/G ratio are also given. The FeNiMnAl Heusler alloy exhibit a ferromagnetic half-metallic behavior with the total magnetic moment of 4.02 μ{sub B}. The phonon dispersion of FeNiMnAl has been performed using the density functional theory and the direct method with 2×2×2 supercell.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Shear Modulus for Nonisotropic, Open-Celled Foams Using a General Elongated Kelvin Foam Model

An equation for the shear modulus for nonisotropic, open-celled foams in the plane transverse to the elongation (rise) direction is derived using an elongated Kelvin foam model with the most general geometric description. The shear modulus was found to be a function of the unit cell dimensions, the solid material properties, and the cell edge cross-section properties. The shear modulus equation reduces to the relation derived by others for isotropic foams when the unit cell is equiaxed.

Sullivan, Roy M.↗

Mechanical properties of jennite: A theoretical and experimental study

The objective of this study is to determine the mechanical properties of jennite. To date, several hypotheses have been proposed to predict the structural properties of jennite. For the first time as reported herein, the isothermal bulk modulus of jennite was measured experimentally. Synchrotron-based high-pressure x-ray diffraction experiments were performed to observe the variation of lattice parameters under pressure. First-principles calculations were applied to compare with the experimental results and predict additional structural properties. Accurately measured isothermal bulk modulus herein (K{sub 0} = 64(2) GPa) and the statistical assessment on experimental and theoretical results suggest reliable mechanical properties of shear and Young's modulus, Poisson's ratio, and elastic tensor coefficients. Determination of these fundamental structural properties is the first step toward greater understanding of calcium–silicate–hydrate, as well as provides a sound foundation for forthcoming atomic level simulations.

36 MATERIALS SCIENCE↗

Microstructural and Mechanical Properties of Hot Roll Bonded Titanium Alloy/Low Carbon Steel Plate

In this paper, a titanium alloy and low carbon steel were bonded via hot rolling in a vacuum, and the effect of roll bonding temperature and reduction ratio on the microstructural and mechanical properties of the plate was studied. When the bonding temperature was between 850 and 1050 °C, the shear strength of the interface increased with an increasing reduction ratio from 18 to 70%. At a bonding temperature of 950 °C and at a rolling reduction ratio of 70%, the best bonding strength was obtained, and a shear fracture occurred on the low carbon steel matrix. At 1050 °C, brittle compounds, i.e., TiC, FeTi, and Fe{sub 2}Ti, formed at the interface, which decreased the bonding strength. The large reduction ratio can break up compounds at the interface and extrude fresh metal for bonding, thereby increasing the bonding strength.

36 MATERIALS SCIENCE↗

A review of the effect of nanoclays on the fresh and hardened properties of cement-based materials

This paper provides an overview of the use of nanoclays in cement-based materials. The effect of nanoclays on shear rheological properties will be discussed, with a focus on structural build-up behavior. This macroscale flow behavior will then be tied to the effect of nanoclays on the fresh microstructure as characterized via in-situ particle size measurements and rheological techniques. This will provide insight on the mechanisms underlying the effect of nanoclays on fresh state properties through an improved understanding of their effect on flocculation and coagulation behavior. In addition, secondary effects nanoclays have on the hardening and hardened properties will also be discussed. Examples of casting applications in which nanoclays have been effectively utilized as rheological modifiers, i.e. reducing self-consolidating concrete formwork pressure, extrusion, semi-flowable concrete for slipform paving, and 3D concrete printing, will be presented. Finally, some thoughts on potential directions for future work will be shared.

36 MATERIALS SCIENCE↗

Chapter 20: Graphite

Graphite is truly a unique material. Its structure, from the nano- to the millimeter scale give it remarkable properties that lead to numerous and diverse applications. Graphite bond anisotropy, with strong in-plane covalent bonds and weak van der Waals type bonding between the planes, gives graphite its unique combination of properties. Easy shear of the crystal, facilitated by weak interplaner bonds allows graphite to be used as a dry lubricant, and is responsible for the substances name! The word graphite is derived from the Greek to write because of graphites ability to mark writing surfaces. Moreover, synthetic graphite contains within its structure, porosity spanning many orders of magnitude in size. The thermal closure of these pores profoundly affects the properties for example, graphite strength increases with temperature to temperatures in excess of 2200 C. Consequently, graphite is utilized in many high temperature applications. The basic physical properties of graphite are reviewed here. Graphite applications include metallurgical; (aluminum and steel production), single crystal silicon production, and metal casting; electrical (motor brushes and commutators); mechanical (seals, bearings and bushings); and nuclear applications, (see Chapter 91, Nuclear Graphite). Here we discuss the structure, manufacture, properties, and applications of Graphite.

36 MATERIALS SCIENCE↗

Study of Non-Newtonian Behavior of CaO-SiO{sub 2}-Based Mold Slag and Its Effect on Lubrication in Continuous Casting of Steel

To understand the effect of the non-Newtonian behavior of mold slag on lubrication during continuous casting of steel, the current study investigated the rheology of CaO-SiO{sub 2}-based mold slag using a rotational viscometer with variable rotating speed. The constitutive equations at different temperatures were determined. Subsequently, the obtained viscosity as a function of temperature and shear rate was incorporated into a validated mathematical model. The main results demonstrated that slag viscosity decreased dramatically with increased shear rate as the experimental temperature approached the break temperature of mold slag, meaning that the mold slag had a property of shear thinning. The predicted evolution of slag viscosity during mold oscillation was consistent with the shear thinning as the shear rate exerted on the slag channel varied. The calculated slag consumption was higher than that for slag treated as a Newtonian fluid, which agreed well with measurements using a miniature continuous caster. This study finds that the consideration of the non-Newtonian behavior of mold slag is significant to understand the lubrication mechanism and optimize related parameters via simulation.

36 MATERIALS SCIENCE↗

Processing and Characterization of PETI Composites Fabricated by High Temperature VARTM

The use of composites as primary structures on aerospace vehicles has increased dramatically over the past decade. As these advanced structures increase in size and complexity, their production costs have grown significantly. A major contributor to these manufacturing costs is the requirement of elevated processing pressures, during the thermal cure, to create fully consolidated composites. For certain composite parts, high temperature vacuum assisted resin transfer molding (HT-VARTM) can offer reduced fabrication costs compared to conventional autoclave techniques. The process has been successfully used with phenylethynyl terminated imide (PETI) resins developed by NASA LaRC. In the current study, two PETI resins, LARC(TradeMark) PETI-330 and LARC(TradeMark) PETI-8 have been used to make test specimens using HT-VARTM. Based on previous work at NASA LaRC, larger panels with a quasi-isotropic lay-up were fabricated. The resultant composite specimens exhibited void contents <3% by volume depending on the type of carbon fabric preform used. Mechanical properties of the panels were determined at both room and elevated temperatures. These included open-hole compressive (OHC) and short beam shear (SBS) properties. Limited process modeling efforts were carried out including infusion times, composite panel size limitations and fabric permeability characterization. Work has also been carried out to develop new PETI based resins specifically geared towards HT-VARTM. The results of this work are presented herein.

Ghose, Sayata↗

Current-Assisted Diffusion Bonding of Extruded Ti-22Al-25Nb Alloy by Spark Plasma Sintering: Interfacial Microstructure and Mechanical Properties

Spark plasma sintering (SPS) technology was used to current-assisted bond extruded Ti-22Al-25Nb alloy. The effects of bonding temperature (920-980 °C) and bonding time (10-30 min) on the microstructure evolution and shear strength of this alloy were investigated systematically. The temperature distribution in the specimen during the current-assisted bonding process was also analyzed by numerical simulation. It is noted that the highest temperature was obtained at the bonding interface. As the bonding temperature and bonding time increased, the voids in the interface shrank increasingly until they vanished. A complete metallurgical bonding interface could be produced at 960 °C/20 min/10 MPa, exhibiting the highest shear strength of 269.3 MPa. In addition, the shear strength of the bonded specimen depended on its interfacial microstructure. With increased bonding temperature, the fracture mode transformed from the intergranular fracture at the bonding interface to the cleavage fracture in the substrate.

36 MATERIALS SCIENCE↗

Material extrusion additive manufacturing of wood pulp-reinforced epoxy composites

Direct ink writing (DIW) is an extrusion-based form of 3D-printing that has gained popularity over the last decade. DIW uses thixotropic fluid extrusion to form a particular shape. In order to form stable structures, the rheology of the paste is important to allow for extrusion from the syringe, stability of the growing print, and prevention of unwanted seeping flow during jog moves. In this work, we use wood pulp as a bio-based filler that can provide shear thinning properties to the ink, which produces a stable ink for DIW processing. Additionally, the filler imparts improved mechanical and thermal performance compared to neat resin. The wood pulp provided the shear thinning behavior necessary for DIW printing, and pulp loadings greater than 6 wt%, provided sufficient yield stress so that the composite could self-support during printing. Nanoclay was utilized to further improve ink rheology and appearance to enable larger scale printing. Overall, this work showed successful DIW of an epoxy resin with a sustainable filler improving its stiffness and thermal properties and provides an avenue for further development of bio-based inks for DIW towards various applications.

Lamm, Meghan E. [Oak Ridge National Laboratory (OR↗

Linear rheology and structure of molecular bottlebrushes with short side chains

We investigate the microstructure and linear viscoelasticity of model molecular bottlebrushes (BBs) using rheological and small-angle X-ray and neutron scattering measurements. Our polymers have short atactic polypropylene (aPP) side chains of molecular weight ranging from 119 g/mol to 259 g/mol and narrow molecular weight distribution (M{sub w}/M{sub n} 1.02–1.05). The side chain molecular weights are a small fraction of the entanglement molecular weight of the corresponding linear polymer (M{sub e,aPP}= 7.05 kg/mol), and as such, they are unentangled. The morphology of the aPP BBs is characterized as semiflexible thick chains with small side chain interdigitation. Their dynamic master curves, obtained by time-temperature superposition, reveal two sequential relaxation processes corresponding to the segmental relaxation and the relaxation of the BB backbone. Due to the short length of the side chains, their fast relaxation could not be distinguished from the glassy relaxation. The fractional free volume is an increasing function of the side chain length (N{sub SC}). Therefore, the glassy behavior of these polymers as well as their molecular friction and dynamic properties are influenced by their N{sub SC} values. The apparent flow activation energies are a decreasing function of N{sub SC}, and their values explain the differences in zero-shear viscosity measured at different temperatures.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Visualization of boundary-layer development on turbomachine blades with liquid crystals

This report documents a study of the use of liquid crystals to visualize boundary layer development on a turbomachine blade. A turbine blade model in a linear cascade of blades was used for the tests involved. Details of the boundary layer development on the suction surface of the turbine blade model were known from previous research. Temperature sensitive and shear sensitive liquid crystals were tried as visual agents. The temperature sensitive crystals were very effective in their ability to display the location of boundary layer flow separation and reattachment. Visualization of natural transition from laminar to turbulent boundary layer flow with the temperature sensitive crystals was possible but subtle. The visualization of separated flow reattachment with the shear sensitive crystals was easily accomplished when the crystals were allowed to make a transition from the focal-conic to a Grandjean texture. Visualization of flow reattachment based on the selective reflection properties of shear sensitive crystals was achieved only marginally because of the larger surface shear stress and shear stress gradient levels required for more dramatic color differences.

Vanzante, Dale E.↗

A first principle study of the pressure dependent elastic properties of monazite LaPO{sub 4}

DFT based ab-initio simulations have been performed to study the effect of pressure on the elastic properties of monazite LaPO{sub 4} which is a promising host material for immobilization of high level nuclear waste. The phase is found to be stable up to 30 GPa. The calculated polycrystalline bulk, shear and Young moduli show an increasing trend as a function of pressure. The ductility and anisotropy in shear modulus of the material have been found to increase with pressure; whilethe bulk modulus anisotropy decreases with pressure.

36 MATERIALS SCIENCE↗

Influence of Effective Physical Contact Area on Microstructure and Mechanical Properties of Diffusion-Bonded TC4/1060Al Joints

In the present study, dissimilar TC4 alloy and 1060Al alloy were successfully diffusion-bonded at a very low temperature about 410 °C by improving the effective physical contact area. A sound joint with a crack-free interface and a high shear strength (128 MPa) is obtained with a combination of TC4 surface roughness of 109.90 μm (S{sub a}) and 1060Al surface roughness of 101.43 μm (S{sub a}), and customized parallel surface scratches. Under this condition, the two parent metals share the largest contact area during the physical contact stage of diffusion bonding process, which is consistent with the theoretical calculation. The results show that no Ti-Al binary intermetallic compounds are observed at the interface of the joints. The maximum shear strength of the joint reaches 128 MPa with optimized bonding parameters (410 °C for 120 min with a pressure of 20 MPa), which is higher than the shear strength of 1060Al (80 MPa) base metal. The fractography analysis indicates the joints failed with a ductile fracture at the 1060Al side.

36 MATERIALS SCIENCE↗

Printability Optimization For Fine Pitch Solder Bonding

Effect of metal mask and pad design on solder printability was evaluated by DOE in this study. The process parameters were stencil thickness, squeegee angle, squeegee speed, mask separating speed, and pad angle of PCB. The main process parameters for printability were stencil thickness and squeegee angle. The response surface showed that maximum printability of 1005 chip was achieved at the stencil thickness of 0.12 mm while the maximum printability of 0603 and 0402 chip was obtained at the stencil thickness of 0.05 mm. The bonding strength of the MLCC chips was also directly related with the printability.

36 MATERIALS SCIENCE↗

Hot rolling of ZK60 magnesium sheet with isotropic tensile properties from tubing made by Shear Assisted Processing and Extrusion (ShAPE)

In order to evaluate the viability of ShAPE processed Mg alloys as a feedstock for fabricating lightweight sheet material, tubes consisting of ShAPE-extruded Mg alloy ZK60 were flattened into plates and hot rolled at 450 °C to reductions of 37%, 68%, and 93%. The mechanical properties and microstructure of the rolled material were characterized through tensile testing and electron backscattered diffraction (EBSD). ZK60 specimens rolled to 68% reduction had tensile properties similar to published properties of rolled ZK60 sheets fabricated using conventional processes, and exhibited negligible tensile anisotropy referenced to the rolling direction. Additional rolling from 68% to 93% reduced the ultimate tensile stress in the rolling direction from 341.74±5.96 MPa to 260.76±22.4MPa. The yield stress and elongation to failure of the material also decreased from 292.16±1.11 MPa to 256.93±18.4 MPa and 6.95±1.94% to 3.38±0.51%, respectively, but negligible little anisotropy was observed with respect to loading direction. EBSD mapping indicated that the as-extruded ZK60 had texture rotated away from the basal direction which developed into a strong basal texture over numerous hot rolling steps. This evolution in texture has been observed after rolling for hot-rolled ZK60 fabricated through conventional extrusion processes. The initial grain structure was found to have experienced noticeable twinning from flattening the tube into plate. After hot rolling, the grain structure became more equiaxed, but the average grain diameter did not change appreciably from 5.15 ± 3.39 µm in the ShAPE extruded material, to 5.27 ± 12.44 µm in the 93% hot rolled sheet. This response to hot rolling is similar to the response of ZK60 fabricated using other methods such as Equal Channel Angular Processing (ECAP). Therefore, this work demonstrates ShAPE has the potential as an alternative method to producing feedstock for Mg alloy sheets. Modifications to the experimental procedure which could lead to improvements in observed properties are briefly discussed.

36 MATERIALS SCIENCE↗

High pressure elastic properties of minerals from ab initio simulations: The case of pyrope, grossular and andradite silicate garnets

A computational strategy is devised for the accurate ab initio simulation of elastic properties of crystalline materials under pressure. The proposed scheme, based on the evaluation of the analytical stress tensor and on the automated computation of pressure-dependent elastic stiffness constants, is implemented in the CRYSTAL solid state quantum-chemical program. Elastic constants and related properties (bulk, shear and Young moduli, directional seismic wave velocities, elastic anisotropy index, Poisson's ratio, etc.) can be computed for crystals of any space group of symmetry. We apply such a technique to the study of high-pressure elastic properties of three silicate garnet end-members (namely, pyrope, grossular, and andradite) which are of great geophysical interest, being among the most important rock-forming minerals. The reliability of this theoretical approach is proved by comparing with available experimental measurements. The description of high-pressure properties provided by several equations of state is also critically discussed.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗