Biomass Particle Models with Realistic Morphology and Resolved Microstructure for Simulations of Intraparticle Transport Phenomena
Abstract not provided
09 BIOMASS FUELS↗
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Creep cavitation bands control porosity and fluid flow in lower crustal shear zones
Shear zones channelize fluid flow in Earth’s crust. However, little is known about deep crustal fluid migration and how fluids are channelized and distributed in a deforming lower crustal shear zone. This study investigates the deformation mechanisms, fluid-rock interaction, and development of porosity in a monzonite ultramylonite from Lofoten, northern Norway. The rock was deformed and transformed into an ultramylonite under lower crustal conditions (temperature = 700–730 °C, pressure = 0.65–0.8 GPa). The ultramylonite consists of feldspathic layers and domains of amphibole + quartz + calcite, which result from hydration reactions of magmatic clinopyroxene. The average grain size in both domains is <25 mm. Microstructural observations and electron backscatter diffraction analysis are consistent with diffusion creep as the dominant deformation mechanism in both domains. Festoons of isolated quartz grains define C'-type bands in feldspathic layers. These quartz grains do not show a crystallographic preferred orientation. The alignment of quartz grains is parallel to the preferred elongation of pores in the ultramylonites, as evidenced from synchrotron X-ray microtomography. Such C'-type bands are interpreted as creep cavitation bands resulting from diffusion creep deformation associated with grain boundary sliding. Mass-balance calculation indicates a 2% volume increase during the protolith-ultramylonite transformation, which is consistent with synkinematic formation of creep cavities producing dilatancy. Thus, this study presents evidence that creep cavitation bands may control deep crustal porosity and fluid flow. Nucleation of new phases in creep cavitation bands inhibits grain growth and enhances the activity of grain size–sensitive creep, thereby stabilizing strain localization in the polymineralic ultramylonites.
CENTRAL ALPS↗
Microstructures and mechanical properties of Ti-Mo alloys cold-rolled and heat treated
In this study, the microstructures and mechanical properties of Ti-10Mo and Ti-20Mo alloys (mass%) are investigated to assess the potential use in biomedical applications. The microstructures are examined by X-ray diffraction analysis (XRD) and scanning electron microscopy (SEM). The mechanical properties are determined from uniaxial tensile tests. The experimental results indicate that the microstructures and mechanical properties of Ti-Mo alloys are dependent upon the cold rolling, solution heat treatment, and Mo content. The Ti-10Mo alloy exhibits ({alpha}'' + {beta}) and ({beta} + {omega}) phases under the cold rolling (CR) and solution treatment (ST), respectively. By contrast, the Ti-20Mo alloy comprises only {beta} phase under such conditions. The quenched Ti-20Mo alloy has the lowest elastic modulus and CR Ti-20Mo alloy has the highest tensile strength. The quenched Ti-10Mo alloy exhibits the excellent ductility and two-stage yielding from stress-strain curves due to the stress-induced martensite transformation from {beta} to {alpha}'' during tensile deformation. These Ti-Mo alloys exhibit low yield strength and good ductility, and they are more suitable for biomedical applications than the conventional metallic biomaterials from the viewpoint of better mechanical compatibility. The quenched Ti-10Mo alloy has some advantages over the other {beta} binary Ti-Mo alloys for biomedical applications. {beta} type Ti-Mo-Sn alloys are expected to be promising candidates for novel metallic biomaterials. - Highlights: {yields} The microstructures and mechanical properties of Ti-Mo alloys are dependent upon the cold rolling, solution heat treatment, and Mo content. {yields} The quenched Ti-10Mo alloy exhibits the excellent ductility and two-stage yielding due to stress-induced martensite transformation from beta to alpha double prime during tensile deformation. {yields} The Ti-Mo alloys are more suitable for biomedical applications than the conventional metallic biomaterials from the viewpoint of better mechanical compatibility. {yields} The quenched Ti-10Mo alloy has more advantages over the other beta binary Ti-Mo alloys for biomedical applications.
36 MATERIALS SCIENCE↗
Numerical analysis of micro-/nanoscale gas-film lubrication of sliding surface with complicated structure
It has been reported that the friction between a partially polished diamond-coated surface and a metal surface was drastically reduced to zero when they are slid at a few m/s. Since the sliding was noiseless, it seems that the diamond-coated surface was levitated over the counter surface and the sliding mechanism was the gas film lubrication. Recently, the mechanism of levitation of a slider with a micro/nanoscale surface structure on a rotating disk was theoretically clarified [S. Yonemura et al., Tribol. Lett., (2014), doi:10.1007/s11249-014-0368-2]. Probably, the partially polished diamond-coated surface may be levitated by high gas pressure generated by the micro/nanoscale surface structure on it. In this study, in order to verify our deduction, we performed numerical simulations of sliding of partially polished diamond-coated surface by reproducing its complicated surface structure using the data measured by an atomic force microscope (AFM). As a result, we obtained the lift force which is large enough to levitate the slider used in the experiment.
71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
Investigation of Magnetic Signatures and Microstructures for Heat-Treated Ferritic/Martensitic HT-9 Alloy
There is increased interest in improved methods for in-situ nondestructive interrogation of materials for nuclear reactors in order to ensure reactor safety and quantify material degradation (particularly embrittlement) prior to failure. Therefore, a prototypical ferritic/martensitic alloy, HT-9, of interest to the nuclear materials community was investigated to assess microstructure effects on micromagnetics measurements – Barkhausen noise emission, magnetic hysteresis measurements, and first-order reversal curve analysis – for samples with three different heat-treatments. Microstructural and physical measurements consisted of high-precision density, resonant ultrasound elastic constant determination, Vickers microhardness, grain size, and texture. These were varied in the HT-9 alloy samples and related to various magnetic signatures. In parallel, a meso-scale microstructure model was created for alpha iron and effects of polycrystallinity and demagnetization factor were explored. It was observed that Barkhausen noise emission decreased with increasing hardness and decreasing grain size (lath spacing) while coercivity increased. The results are discussed in terms of the use of magnetic signatures for nondestructive interrogation of radiation damage and other microstructural changes in ferritic/martensitic alloys.
Environmental Molecular Sciences Laboratory↗
Microstructure of hot-pressed Al2O3-Si3N4 mixtures as a function of holding temperature
Powder mixtures of 40 m/o Si3N4-60 m/o Al2O3 were hot-pressed at 4000 psi at various holding temperatures from 1100 C to 1700 C. Scanning and transmission electron microscopy results were correlated to X-ray phase analysis and density measurements. The progressively developed microstructure was used to interpret the densification behavior of SiAlON.
Yeh, H. C.↗
Microstructure and texture evolution of duplex stainless steels with different molybdenum contents
Highlights: • The 3.05Mo steel has higher resistance to strain-induced transformation than the 0.28Mo steel. • The increased Mo content affects the grain growth of austenite and ferrite due to the effects of segregation and anchoring. • At high annealing temperatures, this Mo retarding effect is weakened. • The suppression of γ-fiber development in the ferrite texture is associated with the increased Mo content. • High amounts of Mo generate unfavorable conditions for the formation of CSL boundaries. - Abstract: The microstructure and texture evolution of duplex stainless steels with different molybdenum contents were studied. For this purpose, hot-rolled 2205 and 2304 samples were solution-annealed at 1100 °C for 1800 s and then cold-rolled to a 75% thickness reduction. This was followed by an isothermal annealing at 900 and 1100 °C for 180 s. The EBSD technique was used to determine the phase ratio, crystallographic texture, and microstructural characteristics. The hot-rolled steel had a work hardened microstructure and the samples submitted to intermediate annealing presented mainly deformation-free grains. Cold rolling resulted in a substantial reduction in the phase spacing with the formation of the strain-induced α′-martensite (SIM) from the metastable austenite. After annealing at 900 °C, the ferrite grains retained the elongated shape of the cold-rolled condition and the primary recrystallization progressed in the austenite phase. Increasing the Mo content increased the resistance to strain-induced martensitic transformation and inhibited the grain growth of austenite phase during annealing at 900 °C. Increasing annealing temperature to 1100 °C promoted the coarsening of both bcc and fcc structures with the formation of annealing twins in the austenitic grains. The recrystallization kinetics and subsequent grain growth occur earlier in ferrite than in austenite phase. Differences in Mo content did not significantly alter the evolution of austenite texture, whereas in the ferrite phase the increase in Mo content suppressed the γ-fiber development. Oriented nucleation was the predominant mechanism observed during the recrystallization of ferritic grains in the 2205 samples. The development of ∑19a boundaries was associated with the selected growth of {554}<225>{sub α} grains in the annealed 2304 samples. Annealing twins were associated with the formation of Σ3 boundaries after the heat treatments. Grain coarsening resulted in a larger fraction of the special boundaries in ferrite phase but inhibited the CSL formation in the austenite phase.
36 MATERIALS SCIENCE↗
Characterization of the correlation between the interfaces and failure behaviors for particle reinforced Mg–Li composites
The interfacial microstructure of SiC{sub p} or YAl{sub 2p} reinforced Mg–14Li–3Al matrix composites was comparatively characterized by scanning electron microscopy and electron probe microanalysis. A nanoindentation combined with scanning electron microscopy technique was used to characterize the interfacial mechanical properties between the reinforcements and matrix. The interfacial strength and failure behaviors for the composites were analyzed from the load–penetration curves and corresponding images. In situ tensile tests were used to observe the fracture and deformation processes with the aid of scanning electron microscopy. The results show that both the chemical and mechanical compatibilities between the YAl{sub 2} particles and LA143 matrix are better than those between the SiC particles and LA143 matrix. The interfacial breakage load for the SiC/LA143 composite is lower than that for the YAl{sub 2}/LA143 composite because of the worse chemical and mechanical compatibilities between the ceramic particles and metal matrix. Interfacial breakage is the main failure mechanism for the SiC/LA143 composite, while the particle breakage and matrix crack are the main failure mechanism for the YAl{sub 2}/LA143 composite. These may be related to the stronger interfacial bonding between the intermetallic particles and metal matrix. - Highlights: • The compatibility for YAl{sub 2} particle with LA143 matrix is better than SiC particle. • The strength of the YAl{sub 2}/LA143 interface is higher than the SiC/LA143 interface. • The main failure behavior for the SiC/LA143 composite is interfacial breakage. • The main failure behavior for YAl{sub 2}/LA143 composite is particle and matrix breakage. • The interfacial strength plays an important role on the composite failure behavior.
36 MATERIALS SCIENCE↗
Statistical characterization of twin transmission across grain boundaries in magnesium
Here, a detailed statistical analysis of twin transmission (TT) across grain boundaries is performed in rolled, commercial purity magnesium compressed along the rolling direction. EBSD images are acquired from two different cuts: a section containing the rolling (RD) and normal (ND) directions; and a section at 35° to the ND which contains transverse direction (TD). An automated twinning analysis software, METIS, is used to obtain the statistical correlations between deformation twins and other microstructural features by analyzing EBSD microstructures comprising thousands of grains and twins. This detailed statistical analysis reveals that the TT propensity is sensitive to the grain boundary (GB) misorientation angle but not to the GB misorientation axis. Specifically, TT propensity decreases with increasing GB misorientation angle; however, the decreasing trend is not monotonic. Further, the detailed analysis of TT events combining macroscopic Schmid factor and the geometric measures (m’: accounts for the alignment of both twin plane normal and shear directions; m”: accounts for the alignment of only twin shear directions; and m”’: accounts for the alignment of only twin plane normal) helps in understanding and identifying the process of twin-pair formation, i.e., co-nucleation versus transmission, also to identify the role of local stresses at GBs induced by inter-grain interaction versus twinning shear transformation processes. In addition, Bayesian inference is used to draw statistically meaningful conclusions as to the likelihood of transmission given misorientation angles. Lastly, twin chain frequency as a function of chain length is predicted using the probability distribution obtained from the Bayesian inference and compared with the actual data from the EBSD microstructures.
36 MATERIALS SCIENCE↗
Microstructure of hot-pressed Al2O3-Si3N4 mixtures as a function of holding temperature
Powder mixtures of 40 m/o Si3N4-60 m/o Al2O3 were hot-pressed at 4000 psi at various holding temperatures from 1100 C to 1700 C. Scanning Electron Microscopy and Transmission Electro Microscopy results were correlated to X-ray phase analysis and density measurements. The progressively developed microstructure was used to interpret the densification behavior of SiAlON. Photomicrographs of microstructures are shown.
Yeh, H. C.↗
Effect of particle size distribution on the structure, hyperfine, and magnetic properties of Ni{sub 0.5}Zn{sub 0.5}Fe{sub 2}O{sub 4} nanopowders
Ni{sub 0.5}Zn{sub 0.5}Fe{sub 2}O{sub 4} nano powders were synthesized by an auto combustion method and then heat treated at different temperatures in air for a fixed time. As a consequence, a distribution in particle size and strain was incorporated within the specimens, as estimated from the Rietveld refinement analysis of the powder x-ray diffraction data. The changes in the microstructure and crystal structure parameters were carefully extracted through the refinement analysis. Thermal annealing causes increment in the dispersion and mean of the size distribution. Reallocation of cations in the lattice sites occur as a consequence of the heat treatment which was manifested in their altered unit cell length (a), r.m.s. strain (〈ε{sup 2}〉{sup 1/2}), oxygen positional parameter (u), metal-oxygen bond lengths (R{sub OA} and R{sub OB}), and the band positions (ν{sub 1}and ν{sub 2}) in the vibrational spectroscopy. We also investigate the hyperfine and magnetic properties of the samples using different instrumental techniques (with different operating time scales) like Mössbauer spectroscopy, electron paramagnetic resonance spectroscopy, and superconducting quantum interference device magnetometry. Results show that the effect of particle size distribution was manifested in their hyperfine field distribution profile, paramagnetic resonance spectra, and magnetic anisotropy energy distribution profile. Co-existence of superparamagnetic and ferrimagnetic phase was recorded at room temperature in the samples when annealed at lower temperature. However, with increase in annealing temperature, the nature of the size distribution changes and ferrimagnetic ordering predominates for the larger size nanoparticles. Thus, the effect of particle size distribution on the structural, hyperfine, and magnetic properties of various Ni{sub 0.5}Zn{sub 0.5}Fe{sub 2}O{sub 4} nanoparticles was investigated herein which hitherto has not been discussed in the literature.
36 MATERIALS SCIENCE↗
Long Term Degradation of LSM Based SOFC Cathodes: Use of a Proven Accelerated Test Regimen
The overall goals of the program were: • To understand the microstructural basis of long-term performance loss in solid oxide fuel cells (SOFCs) with cathodes based on lanthanum strontium manganite (LSM, (La 1–x Sr x ) 1–yM nO 3±z ); • To develop strategies for optimizing LSM–based cathodes that achieve improved long-term performance, while exhibiting microstructural and chemical stability, for commercial fuel cell systems. The research project carried out accelerated testing of SOFCs with LSM-based cathodes of selected compositions. After intervals of accelerated testing (and control tests using non-accelerated conditions), the cells underwent extensive microstructural characterization to determine the physical and chemical changes in the cells. By analysis of a) the results of the testing, b) the observed microstructural changes, and c) the differences in these correlations between different cathode compositions and test durations, the research: • Identified a correlation between microstructural change and performance loss: specifically, between decrease of three-phase boundary (TPB) density and increase of area specific re-sistance (ASR) during operation; • Identified a cathode composition parameter — Mn excess, defined as 1/(1–y) in (La 1–x Sr x ) 1–y MnO 3±z ) — and how it affects TPB density, ASR and change of cell performance over time.
08 HYDROGEN↗
Current divisions and distributed Joule heating of two-dimensional grid microstructures
This work presents current divisions and distributed Joule heating of two-dimensional (2D) grid microstructures. The current divisions on 2×2, 4×4, and n×n grid microstructures made of the same conductive beams are analyzed theoretically, and Kirchhoff's voltage law (KVL) and Kirchhoff's current law (KCL) are employed to determine the current division factors and directions under different voltage input cases. The equivalent resistances and Joule heating power are therefore derived. 2D 2×2 grid microstructures made of gold (60 nm in thickness) and those made of near-equiatomic NiTi (850 nm in thickness) for various independent voltage input cases are fabricated by electron-beam evaporation and co-sputtering, respectively. The equivalent resistances of these grid microstructures are measured by four-terminal resistance measurement at ambient conditions, which show a good agreement with the theoretical results. Further investigation on the electrical resistivities of evaporated gold layer (4.85 × 10 -8 Ω ∙ m) and co-sputtered NiTi (1.23 × 10 -5 Ω ∙ m) reveals that the influences of scale effect and fabrication process on the resistivity cannot be neglected. As such, it is found to be necessary to consider the materials' resistivity in the fabricated grid microstructures before their electro-thermal analysis.
25 ENERGY STORAGE↗
Optimization of Hot Deformation Parameters and Constitutive Analysis for As-Cast Mg-5Li-3Zn-0.3Y Alloy Using Processing Maps
Hot deformation behavior of as-cast Mg-5Li-3Zn-0.3Y (wt.%) alloy has been studied by establishing processing maps covering the range of 200-450 °C in temperature and 0.001-10 s{sup −1} in strain rate. The map corresponding to the strain of 0.7 reveals that a domain of dynamic recrystallization occurred at 340-400 °C/0.01-0.158 s{sup −1} with its peak efficiency of approximately 31%. Analysis of the flow behaviors and microstructural observations indicated that dynamic recrystallization occurred in the domain, in which fine microstructure can be achieved. The above conditions represent the optimum processing parameters, and the flow instability regimes are also recognized from the maps. The average deformation in the deformed range was 136.414 kJ/mol which is close to that for lattice self-diffusion in magnesium and far smaller than that for as-cast Mg-5.75Zn-0.73Y-0.36Zr (wt.%) alloy. It is believed that a lower activation energy for Mg-5Li-3Zn-0.3Y alloy can partly result from both the weak particle pinning effects and adding Li into the Mg-Zn-Y-Zr alloy. Results of extrusion experiments conducted at 350 °C show that the alloy can be easily extruded with good mechanical properties of the yield strength of 132 MPa, the fracture strength of 215 MPa and the elongation of 20.9%, and the grains can be well refined.
36 MATERIALS SCIENCE↗
Surface Modification of 304 Stainless Steel by Electro-Spark Deposition
Electro-spark deposition (ESD) is a pulsed microwelding process that is used to apply surface coatings for the repair of damaged high value and precision products or modify their surfaces for specific properties. The low heat input, minimal heat-affected zone and the ability to form metallurgical bonding of coating to substrate are major advantages of the ESD process. Many applications require the components to have excellent surface performance, such as wear and corrosion resistance. ESD technique provides an approach to modify the component surface without compromising the bulk properties. In this study, surface modifications of 304 stainless steel by ESD were investigated. Titanium carbide (TiC), tungsten carbide (WC) and molybdenum (Mo) were employed as coating materials. Scanning electron microscopy (SEM) and energy-dispersive x-ray spectroscopy (EDX) analysis were conducted to characterize the microstructure and composition of the coatings. The coatings thicknesses were all around 40 µm. The results showed that TiC and WC coatings showed a dramatic increase in the microhardness, up to 5 times. WC coating improved the wear resistance by more than 5 times, while TiC and Mo coatings also improved it by approximately 2.5 times. Electro-chemical tests were conducted to investigate the corrosion resistance of the coatings. Mo coating exhibited a significant improvement in the corrosion resistance in 5% NaCl solutions, corroding 350 times slower than stainless steel. Synchrotron x-ray diffraction was performed to investigate the microstructure changes of the Mo-coated sample. Heat treatment was also carried out to investigate the corrosion behavior of Mo-coated 304 stainless steel at elevated service temperature in air or argon.
36 MATERIALS SCIENCE↗
Solid state dewetting of thin plasmonic films under focused cw-laser irradiation
Elevated temperatures and large thermal gradients are a significant source of component failure in microelectronics, and is the limiting factor in heat-assisted magnetic recording (HAMR). Here, we have investigated the effect of solid-state dewetting in Au thin films, as a function of local temperature, film thickness, and substrate adhesion. In this work, a localised temperature rise is induced in thin (≤ 50 nm) polycrystalline Au films on SiO 2 substrates via focused continuous-wave laser irradiation at 488 nm. The magnitude and distribution of the total temperature rise is measured using CCD-based thermoreflectance. This also allows a sensitive measurement of the temperature at which dewetting occurs, showing that for thin (≤ 50 nm) Au films without adhesion layers, rapid dewetting can occur at temperatures as low as 50° C. The time decay of the reflected light from the illuminating laser is used to monitor locally the dynamics of solid state dewetting. TEM diffraction analysis shows significant changes in the microstructure and crystallographic texture of the films as far as 10 µm away from the illuminated area. The use of a thin metallic adhesion layer (such as Ti or Cr) is shown to significantly improve the adhesion of the Au to the substrate and reduce the tendency towards dewetting, but does not entirely protect it from changes to the crystallographic texture.
36 MATERIALS SCIENCE↗
Assessing the potential of ToF-SIMS as a complementary approach to investigate cement-based materials — Applications related to alkali–silica reaction
In this study, the potential of time-of-flight secondary ion mass spectrometry (ToF-SIMS) for the application in cement-based materials is assessed in combination and comparison with scanning electron microscopy (SEM) and energy dispersive X-ray (EDX). Mortar, concrete and samples from model systems providing products formed by the alkali–silica reaction (ASR) were studied. ToF-SIMS provides qualitative data on alkalis in cases where EDX reaches its limits in regard to detectable concentration, lateral resolution and atomic number of the elements. Due to its high in-depth resolution of a few atomic monolayers, thin layers of reaction products can be detected on the surfaces and chemically analyzed with ToF-SIMS. Additionally, it delivers information on the molecular conformation within the ASR product, its hydrogen content and its isotope ratios, information not provided by EDX. Provided the samples are carefully prepared, ToF-SIMS opens up new possibilities in the analysis of cement-based materials.
36 MATERIALS SCIENCE↗
Simulated impedance of diffusion in porous media
This paper describes the use of a frequency domain, finite-difference scheme to simulate the impedance spectra of diffusion in porous microstructures. We investigate both open and closed systems for a range of ideal geometries, as well as some randomly generated synthetic volumes and tomographically derived microstructural data. In many cases, the spectra deviate significantly from the conventional Warburg-type elements typically used to represent diffusion in equivalent circuit analysis. Furthermore, a key finding is that certain microstructures show multiple peaks in the complex plane, which may be misinterpreted as separate electrochemical processes in real impedance data. This is relevant to battery electrode design as the techniques for nano-scale fabrication become more widespread. This simulation tool is provided as an open-source MatLab application and is freely available online as part of the TauFactor platform.
36 MATERIALS SCIENCE↗