Non-linear effects of alumina concentration on Product Consistency Test response of waste glasses
Not Available
Vienna, John D.↗
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Direct extraction of spatial correlation functions from limited x-ray tomography data for microstructural quantification
Abstract not provided
Li, Hechao↗
The reactivity of lattice carbon and nitrogen species in molybdenum (oxy)carbonitrides prepared by single-source routes
Highlights: Black-Right-Pointing-Pointer Molybdenum (oxy)carbonitrides have been prepared from single source routes. Black-Right-Pointing-Pointer Nitrogen species are more reactive than carbon species within the carbonitrides. Black-Right-Pointing-Pointer The reactivity of nitrogen species is a function of carbonitride composition. -- Abstract: Molybdenum (oxy)carbonitrides of different compositions have been prepared from hexamethylenetetramine molybdate and ethylenediamine molybdate precursors and the reactivity of the lattice carbon and nitrogen species within them has been determined by temperature programmed reduction and thermal volatilisation studies. Nitrogen is found to be much more reactive than carbon and the nature of its reactivity is influenced by composition with the presence of carbon enhancing the reactivity of nitrogen. The difference in reactivity observed indicates that molybdenum carbonitrides are not suitable candidates as reagents for which the simultaneous loss of nitrogen and carbon from the lattice would be desirable.
36 MATERIALS SCIENCE↗
Optical, morphological and durability studies of quaternary chalcogenide Ge-Sb(As)-(S,Te) films
Highlights: • Films of two glassy chalcogenide systems of Ge{sub x}-Sb/As{sub 40-x}-S{sub 50}-Te{sub 10} were studied. • Optical constants as function of films composition are obtained in 0.25–30 μm range. • The transparent zone of the films is in the (0.6–2.5) μm spectral range. • The vibrational modes were determined from IR-SE, FTIR and Raman. • The stability of the films after QT was proved by AFM, SEM and SE analyses. - Abstract: Thin films from two glassy systems of Ge{sub x}Sb{sub 40-x}S{sub 50}Te{sub 10} and Ge{sub x}As{sub 40-x}S{sub 50}Te{sub 10}, with compositions x = 10, 20 and 27 at. %, were deposited on optical glass substrates by vacuum thermal evaporation of powdered parent chalcogenide glasses. The complex refractive index and dielectric constants of the films are determined by ellipsometry in a wide spectral range of 0.25–30 μm. In the transparent spectral region of 0.6–2.5 μm the refractive index values are within 2.9–2.3 and 3.3–2.4 for the As-contained and Sb-contained films, respectively. From the IR and Raman data analysis the basic chemical and oxygen-related impurity bonds are identified. The films durability properties were established by applying the US Military Standard quality tests. The quality-test-induced-changes in surface morphology were evaluated. The films are relatively stable after quality test treatments, which cause a small degree of densification and surface roughening for Sb-containing films and surface flattening for As-containing ones.
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
An investigation on the structural stability of $\mathrm{ZIF}$-8 in water versus water-derived oxidative species in aqueous environment
We report the zeolitic-imidazolate-framework-8 (ZIF-8) is one of the extensively studied metal-organic frameworks (MOF) materials because of its unique structure. For its potential applicability in numerous fields, it becomes crucial to have detailed studies on the structural stability of ZIF-8, especially in aqueous environments. A number of studies have been conducted to investigate the breakdown process of the ZIF-8 structure in water; which is known as the hydrolysis of ZIF-8. However, those studies reported different opposing experimental observations on the role of water on the structural stability of ZIF-8, which created obscurity in understanding this phenomenon. This study explored the effects of different water-derived species on the structural stability of ZIF-8; specifically, examined the effects of only water and water with different oxidative species that may be generated by water molecules' dissociation under external energy or catalyst presence. To this effort, we experimentally probed the physical and chemical structural changes of ZIF-8 in DI water and three different solutions of hydrogen peroxides (H 2 O 2 ); taking H 2 O 2 as the source of oxidative species. To assess the changes in elemental compositions, chemical bonds, functional groups, crystal structure, and morphology, all the samples were analyzed by X-ray photoelectron spectroscopy (XPS), energy-dispersive x-ray (EDX) spectroscopy, Fourier Transform Infrared (FTIR) spectroscope, X-ray diffractometer (XRD), and scanning electron microscope (SEM). Significant structural changes in ZIF-8 occurred mainly in the presence of oxidative species in water. Notably, oxidative species' concentration exceeding 1 M heightened the deformation of the ZIF-8 structure.
36 MATERIALS SCIENCE↗
Development of multifunctional nylon 6,6-based nanocomposites with high electrical and thermal conductivities by scalable melt and dry blending methods for automotive applications
With the advent of intelligent automobile technology, the demand for multifunctional composites with higher electrical and thermal conductivities is increasing. We have herein reported for the first time the effect of polyolester on the dispersion of carbon nanotube (CNT) in the short-carbon fiber (CF)/nylon 6,6 (PA66) composite using a scalable melt-mixing and dry-blending method and its subsequent improvement in electrical and thermal conductivities. Masterbatches were prepared with a higher concentration of CNT (both untreated and polyolester-treated) followed by dry blended with reference composite (30 wt% CF and 10 wt% mineral fiber filled PA66) before making coupons via injection molding. A 500% and 63% improvements in electrical (3.14 S cm -1 ) and thermal conductivities (in-plane) (1.99 W m -1 K -1 ) conductivities were observed by adding 1.5 wt% treated CNT compared to the reference composite. The improvements were even higher than that of untreated CNT due to better dispersion. Furthermore, the electromagnetic shielding effectiveness reached 61 dB for 1.5 wt% treated CNT-filled composite (39% enhancement). In conclusion, these results are significant in imparting multiple functionalities to the automotive composite parts.
36 MATERIALS SCIENCE↗
Wood template-supported phase change material composites for durable and form-stable thermal energy storage in buildings
Here, to reduce and shift peak energy loads in buildings, phase change materials (PCMs) with high transition enthalpies and transition temperatures near human thermal comfort are desirable for thermal energy storage (TES). Traditional solid/liquid PCMs suffer from leakage during thermal cycling, requiring encapsulation that lowers heat storage capacity. Wood templates (WTs), with porous and hierarchical structures, provide natural encapsulation scaffolds for PCM containment. Polyethylene glycol (PEG) is a compatible PCM with WTs, but when infiltrated alone, ~30 wt% of PEG binds to wood with no detectable phase change, limiting TES efficiency. To address this, we developed a method to (1) improve the form stability of balsa and pine-based composites (BWT + PCMs and PWT + PCMs) and (2) reduce inactive PCM within the composites to ~10 wt%. BWT + PCMs exhibit transition properties upwards of 114.2 J/g at 25.4 degrees C, with no degradation after 1000 thermal cycles, and similar stiffness compared to raw balsa. Meanwhile, PWT + PCMs exhibit 25 % higher storage efficiency with the addition of poly(ethylene glycol) diacrylate compared to solely PEG-infiltrated PWT. PWT + PCM retains 84 % of raw pine's mechanical stiffness, sufficient for light-duty construction. Our shape-stabilized WT + PCM composites enrich the functionality of wood materials as both ideal TES material candidates and light-duty building construction applications.
25 ENERGY STORAGE↗
Micromechanical aspects of deformation and failure of advanced Iron-Chromium-Aluminum alloys
Here this work investigates the micromechanical deformation and failure mechanisms of advanced FeCrAl alloys developed for use in nuclear reactors as cladding material. Three different FeCrAl alloys (82-X)Fe-13Cr-5Al-X (X=Nb, TiC, 0 for base alloy) were investigated both in their as-received and welded states. In-situ neutron diffraction with simultaneous digital image correlation was used to determine micromechanical deformation mechanisms not only as a function of elemental composition but also as a condition of state (as-received vs. welded). Ex-situ X-ray computed tomography was used on as-deformed samples to help determine the failure mechanisms and void initiation strains.
36 MATERIALS SCIENCE↗
Performance of prototype GE1/1 chambers for the CMS muon spectrometer upgrade
The high-luminosity phase of the Large Hadron Collider (HL-LHC) will result in ten times higher particle background than measured during the first phase of LHC operation. In order to fully exploit the highly-demanding operating conditions during HL-LHC, the Compact Muon Solenoid (CMS) Collaboration will use Gas Electron Multiplier (GEM) detector technology. The technology will be integrated into the innermost region of the forward muon spectrometer of CMS as an additional muon station called GE1/1. The primary purpose of this auxiliary station is to help in muon reconstruction and to control level-1 muon trigger rates in the pseudo-rapidity region 1.6 ≤ |η| ≤ 2.2. The new station will contain trapezoidal-shaped GEM detectors called GE1/1 chambers. The design of these chambers is finalized, and the installation is in progress during the Long Shutdown phase two (LS-2) that started in 2019. Several full-size prototypes were built and operated successfully in various test beams at CERN. Here, we describe performance measurements such as gain, efficiency, and time resolution of these prototype chambers, developed after years of R&D, and summarize their behavior in different gas compositions as a function of the applied voltage.
46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
The adsorption and reaction of vinyl acetate on Au/Pd(100) alloy surfaces
The surface chemistry of vinyl acetate monomer (VAM) is studied on Au/Pd(100) alloys as a function of alloy composition using temperature-programmed desorption and reflection adsorption infrared spectroscopy. VAM adsorbs weakly on isolated palladium sites on the alloy with a heat of adsorption of ~55 kJ/mol, with the plane of the VAM adsorbed close to parallel to the surface. The majority of the VAM adsorbed on isolated sites desorbs molecularly with only a small portion decomposing. At lower gold coverages (below ~0.5 ML of gold), where palladium palladium bridge sites are present, VAM binds to the surface in a distorted geometry via a rehybridized vinyl group. A larger proportion of this VAM decomposes and this reaction is initiated by C\O bond scission in the VAM to form adsorbed acetate and vinyl species. The implication of this surface chemistry for VAM synthesis on Au/Pd(100) alloys is discussed.
Li, Zhenjun↗
Lithium-ion battery recycling processes: Research towards a sustainable course
There is a need to develop technology to enable a resource-efficient and economically feasible recycling system for lithium-ion batteries and thus assure the future supply of the component materials. Lithium-ion batteries are complex products, and designs and materials are still evolving, which makes planning for future recovery more challenging. Several processes for recycling are proposed or operating, and each has advantages and disadvantages. Here, this paper compares these processes on technical and economic bases, elucidating differences in benefits as a function of cathode composition. Since none of the existing processes is ideal, research areas are suggested that could enable development of improved recycling methods. The most promising research areas are separation technologies.
25 ENERGY STORAGE↗
An LCA model for waste incineration enhanced with new technologies for metal recovery and application to the case of Switzerland
Highlights: • An enhanced process-based LCA model for MSWI is featured and applied in case study. • LCA modeling of recent technological developments for metal recovery from fly ash. • Net release from Swiss MSWI 133 kg CO{sub 2}-eq/tonne waste from attributional LCA perspective. • Net savings from a consequential LCA perspective reach up to 303 kg CO{sub 2}-eq/tonne waste. • Impacts according to ReCiPe and CExD show similar pattern to climate change. - Abstract: A process model of municipal solid waste incinerators (MSWIs) and new technologies for metal recovery from combustion residues was developed. The environmental impact is modeled as a function of waste composition as well as waste treatment and material recovery technologies. The model includes combustion with a grate incinerator, several flue gas treatment technologies, electricity and steam production from waste heat recovery, metal recovery from slag and fly ash, and landfilling of residues and can be tailored to specific plants and sites (software tools can be downloaded free of charge). Application of the model to Switzerland shows that the treatment of one tonne of municipal solid waste results on average in 425 kg CO{sub 2}-eq. generated in the incineration process, and 54 kg CO{sub 2}-eq. accrue in upstream processes such as waste transport and the production of operating materials. Downstream processes, i.e. residue disposal, generates 5 kg CO{sub 2}-eq. Savings from energy recovery are in the range of 67 to 752 kg CO{sub 2}-eq. depending on the assumptions regarding the substituted energy production, while the recovery of metals from slag and fly ash currently results in a net saving of approximately 35 kg CO{sub 2}-eq. A similar impact pattern is observed when assessing the MSWI model for aggregated environmental impacts (ReCiPe) and for non-renewable resource consumption (cumulative exergy demand), except that direct emissions have less and no relevance, respectively, on the total score. The study illustrates that MSWI plants can be an important element of industrial ecology as they provide waste disposal services and can help to close material and energetic cycles.
12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
Is more always better? Tribofilm evolution and tribological behavior impacted by the concentration of ZDDP, ionic liquid, and ZDDP-Ionic liquid combination
Anti-wear additives (AWs), like zinc dialkyldithiophosphates (ZDDPs), have been used in lubricants for more than a half-century, and more effective candidate AWs, like oil-soluble ionic liquids (ILs), are emerging. However, there is a lack of fundamental understanding of how the AW concentration impacts the tribochemical activities at the contact interface. This study systematically investigated the friction and wear behavior in correlation to the tribofilm morphology and composition as a function of the concentration of a ZDDP, a phosphonium-alkylphosphate IL, and an IL+ZDDP combination. The ZDDP concentration rising from 0.4 to 6.4 wt% caused a proportionally increased friction coefficient, which was well correlated to a thicker, rougher, and more brittle tribofilm. This was further understood by the decreasing phosphates but increasing sulfur compounds in the ZDDP tribofilm. In contrast, the IL and IL+ZDDP maintained a low and stable friction coefficient at 0.5 wt% or above. There was no sulfur in the IL tribofilm, and the sulfur compounds were maintained at a low level in the tribofilm for IL+ZDDP even at high concentrations. Results suggested minimizing the sulfur content in the tribofilm would be an effective way to control the friction. An interesting V-shape relationship between the AW concentration and the wear loss was observed for both the IL-containing AWs, with an optimum at 2 wt% for the IL alone and 0.46–0.92 wt% for the IL+ZDDP, respectively. A unique heat map was created using the phosphorus binding energy distribution to reveal the phosphate polymerization at different depths of the tribofilms, which provided additional insight for the tribofilm evolution.
36 MATERIALS SCIENCE↗
Study of pure and mixed clustered noble gas puffs irradiated with a high intensity (7 × 10 19 W/cm 2 ) sub-ps laser beam and achievement of a strong X-ray flash in a laser-generated debris-free X-ray source
We present a broad study of linear, clustered, noble gas puffs irradiated with the frequency doubled (527 nm) Titan laser at Lawrence Livermore National Laboratory. Pure Ar, Kr, and Xe clustered gas puffs, as well as two mixed-gas puffs consisting of KrAr and XeKrAr gases, make up the targets. Characterization experiments to determine gas-puff density show that varying the experimental parameter gas-delay timing (the delay between gas puff initialization and laser-gas-puff interaction) provides a simple control over the gas-puff density. X-ray emission (>1.4 keV) is studied as a function of gas composition, density, and delay timing. Xe gas puffs produce the strongest peak radiation in the several keV spectral region. The emitted radiation was found to be anisotropic, with smaller X-ray flux observed in the direction perpendicular to both laser beam propagation and polarization directions. The degree of anisotropy is independent of gas target type but increases with photon energy. X-ray spectroscopic measurements estimate plasma parameters and highlight their difference with previous studies. Electron beams with energy in excess of 72 keV are present in the noble gas-puff plasmas and results indicate that Ar plays a key role in their production. Finally, a drastic increase in harder X-ray emissions (X-ray flash effect) and multi-MeV electron-beam generation from Xe gas-puff plasma occurred when the laser beam was focused on the front edge of the linear gas puff.
70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
Toward Ideal Metal–Organic Framework Thin-Film Growth via Automated Layer-by-Layer Deposition: Examples Based on Perylene Diimide Linkers
Photoactive metal-organic framework (MOF) thin films offer an opportunity for translating the advantages of periodic, crystalline, and tailorable light-harvesting materials directly into devices such as those for photoelectrochemical solar energy conversion. In this study, we report the fabrication of light-absorbing perylene-diimide-containing pillared-paddlewheel MOF thin films using an automated layer-by-layer (LbL) deposition technique. Our focus here is on optimizing the growth of representative chromophoric MOFs as oriented films of uniform and predefined thickness. Growth was examined as a function of metal identity, pillaring ligand composition, and supporting-surface chemical functionality. Further, application of atomic force microscopy (AFM) and complementary techniques revealed that the surface-supported MOFs initially display island-type film growth (Volmer-Weber growth), resulting in comparatively rough films. Further growth is accompanied by the merging of islands, resulting in films that, depending on experimental details, can be remarkably smooth (i.e., roughness on the order of ±1 nm (one structural repeat unit in the pillaring direction)). These details include the use of 1,4-diazabicyclo[2.2.2]octane (DABCO) as a MOF pillar and ALD-grown zinc oxide as a film support (ALD = atomic layer deposition). Also helpful for mitigating island-type growth, at least in part, is the replacement of Zn 2+ by Cu 2+ as the metal component of the MOF. Notably, each of these adjustments entails replacing weaker chemical bonds with stronger ones.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
Nanoparticles Incorporated inside Single-Crystals: Enhanced Fluorescent Properties
Incorporation of guest materials inside single-crystalline hosts leads to single-crystal composites that have become more and more frequently seen in both biogenic and synthetic crystals. The unique composite structure together with long-range ordering promises special properties that are, however, less often demonstrated. In this study, we examine the fluorescent properties of quantum dots (QDs) and polymer dots (Pdots) encapsulated inside the hosts of calcite single-crystals. Two CdTe QDs and two Pdots are incorporated into growing calcite crystals, as the QDs and Pdots are dispersed in the crystallization media of agarose gels. As a result, enhanced fluorescent properties are obtained from the QDs and Pdots inside calcite single-crystals with greatly improved photostability and significantly prolonged fluorescence lifetime, compared to those in solutions and gels. Particularly, the fluorescence lifetime increases by 0.5-1.6 times after the QDs or Pdots are incorporated. The enhanced fluorescent properties indicate the advantages of encapsulation by single-crystal hosts that provide dense shells to isolate the fluorescent nanoparticles from atmosphere. As such, this work has implications for advancing the research of single-crystal composites toward their functional design.
36 MATERIALS SCIENCE↗
Constitution of Drop-Tube-Generated Coal Chars from Vitrinite- and Inertinite-Rich South African Coals
The structural transformations of coal and the resultant char morphologies are strongly dependent on the initial structure and degree of thermoplasticity achieved during coal-to-char transition. These are a function of petrographic composition, rank, particle size, and heating rate and strongly affect combustion behavior. This study compares the devolatilization and subsequent combustion behavior of an inertinite-rich (87.7% dmmf) and a vitrinite-rich (91.8% dmmf) South African coal, wet-screened to a narrow particle size distribution of 200 x 400 mesh. Pyrolysis chars were generated under rapid-heating conditions (104-105 °C/s) in a drop-tube reactor to closely resemble chars generated in pulverized combustion conditions. The inertinite-rich coal took ~ 400 ms to devolatilize in the drop-tube, compared to only ~ 240 ms for the vitrinite-rich sample. The chemical and physical structure (the constitution) of the chars were investigated through a range of chemical, physical, and optical characteristics including the maceral differences, and high ash yields. To evaluate the combustion reactivity non-isothermal burn-out profiles were obtained through thermogravimetrical analyses (TGA) in air. The vitrinite-rich char had on average 20% higher reaction rates than the inertinite-rich char under the various combustion conditions. The char samples were de-ashed with HCl and HF acid which resulted in an increase in combustion reactivity. The maximum reaction rate of the high-ash (36% ash yield) inertinite-rich char increased with 80% after de-ashing. While the vitrinite-rich char with an ash yield of 15%, had a 20% increase in reactivity after de-ashing. The ash acted as a barrier, and the removal of ash most likely increased the access to reactive surface area. The chemical and physical structures of the chars were characterized through a range of different analytical techniques to quantify the factors contributing to reactivity differences. The morphologies of the chars were characterized with SEM and optical microscopy, while quantitative information on the ordered nature of chars was obtained through XRD on de-ashed chars. The inertinite-rich coal experienced limited fluidity during heat-treatment, resulting in slower devolatilization, limited growth in crystallite height (11.8 to 12.6Å), only rounding of particle edges, and producing > 40% of mixed-dense type chars. The vitrinite-char showed more significant structural transformations; producing mostly (80%) extensively swollen crassisphere, tenuisphere, and network-type chars, and XRD showed a large increase in crystallite height (4.3 to 11.7Å). Nitrogen adsorption and small-angle X-ray scattering (SAXS) were utilized to compare the nitrogen surface areas and pore size distributions. Both chars were mostly mesoporous but the inertinite-rich char had double the average pore size, which also resulted in a larger nitrogen surface area since nitrogen can only access surface areas in larger pores. The BET surface area was 3.9 and 2.7 m2/g for the inertinite- and vitrinite-rich chars respectively. SAXS data showed that the vitrinite-rich char had 60% higher frequencies of pores in the micropore range. Helium porosimetry indicated that the inertinite-rich coal and resultant char had higher densities than the vitrinite coal and char; 1.6 and 2.0 g/cm3, compared to 1.3 and 1.9 g/cm3 (dry basis). Non-isothermal TGA burnout profiles showed the inertinite-rich char had a burnout temperature of 680°C, slightly higher than the vitrinite-rich char’s 650 °C. This, along with the peak shape and position in the burnout profiles indicate that the vitrinite-rich char has a higher reactivity. The higher reactivity is due to a combination of factors likely including less organization, grater porosity and access to the reactive site, less ash blocking, and char morphology differences.
Combustion↗
Nearly Identical but Not Isotypic: Influence of Lanthanide Contraction on Cs 2 NaLn(PS 4 ) 2 (Ln = La–Nd, Sm, and Gd–Ho)
The effect of the lanthanide contraction often results in topological and symmetry changes in compounds with the same compositions as a function of lanthanide cation size. Here we report on the first example of a lanthanide thiophosphate exhibiting a change in the lanthanide cation environment without any topological or symmetry change. A series of new lanthanide thiophosphates with mixed alkali cations was obtained via a flux crystal growth technique using a CsI flux. The obtained compounds Cs 2 NaLn(PS 4 ) 2 (Ln = La–Nd, Sm, Gd–Ho) were grown as large single crystals (~0.1–1 mm 3 ) and characterized using single crystal X-ray diffraction and magnetic susceptibility measurements. Moving across the series, the structural studies revealed a change in the lanthanide coordination environment dependent upon the identity of the lanthanide. Although all compounds in the Cs 2 NaLn(PS 4 ) 2 series crystallize in the same space group and have the same Wyckoff positions of the atoms, a slight size change between Sm 3+ and Gd 3+ causes a subtle change in coordination number from 9 (for Ln = La–Sm) to 8 (for Ln = Gd–Ho), resulting in two distinct but virtually identical structure types. Ab initio calculations were performed, and the observed experimental trend was corroborated computationally. Finally, magnetic measurements performed on the Cs 2 NaLn(PS 4 ) 2 (Ln = Ce, Pr, Nd, Gd, and Tb) compounds revealed paramagnetic behavior.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗