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At least 1,783 records · Page 99

Soil management practices can contribute to net carbon neutrality in California

Stabilizing climate requires reducing greenhouse gas (GHG) emissions and storing atmospheric carbon dioxide (CO 2 ) in land or ocean systems. Soil management practices can reduce GHG emissions or sequester atmospheric CO 2 into inorganic and organic forms. However, whether soil carbon strategies represent a viable and impactful climate mitigation pathway is uncertain. A specific question concerns the role that land-management practices and soil amendments can play in realizing California's ambition for carbon neutrality by 2045. Here we examine the carbon flux impacts of soil conservation (i.e., compost, reduced tillage, cover crop) and enhanced silicate rock weathering (EW) practices at different areal extents of implementation in cropland, grassland, and savanna in California under two climate change cases. We show that with implementation areas of 15% or 50% of private cultivated land, grassland, and savanna in California, soil conservation practices alone can contribute $1.4^{2.1}_{0.7}$% ($-1.8^{-2.7}_{ -0.9}$ Mt CO 2 eq y -1 ) and $4.6^{6.9}_{2.3}$% ($-6.0^{-8.9}_{-3.0}$ Mt CO 2 eq y -1 ) of the additional emissions reduction needed (beyond previous targets) to meet the 2045 net neutrality goal (-129.3 Mt CO 2 eq y -1 ), respectively, on an average annual basis, including climate uncertainty. Including EW in these scenarios increases the total contributions of management practices to $4.1^{5.6}_{2.5}$% ($-5.2^{-7.3}_{-3.2}$ Mt CO 2 eq y -1 ) and $13.5^{18.6}_{8.2}$% ($-17.5^{-24.2}_{-10.7}$ Mt CO 2 eq y -1 ), respectively, of this reduction. This highlights that the extent of implementation area is a major factor in determining benefits and that EW has the potential to make a real contribution to net reduction targets. Results are similar across climate cases, indicating that contemporary field data can be used to make future projections. With EW there remains mechanistic uncertainties, however, such as rock dissolution rate and environmental controls on weathering products, which require additional field research to improve understanding of the technological efficacy of this approach for California's 2045 carbon neutrality goal.

54 ENVIRONMENTAL SCIENCES↗

A comparison of free-living and sponge-associated bacterial communities from a remote oceanic island with a focus on calcareous sponges

Abstract Calcareous sponges are an often overlooked element of sponge communities. In contrast to most other sponges, calcareous sponges produce calcium carbonate spicules, as opposed to the siliceous spicules of most sponges. Here, we investigated the bacterial communities of 17 sponge species, including type and paratype specimens of recently described calcareous species, sampled off the remote island of Rodrigues, in the Indian Ocean. The main axis of variation in a PCO analysis of all samples separated noncalcareous sponge species, including Axinyssa aplysinoides, Cinachyrella aff. australiensis, Petrosia seychellensis, Ircinia aff. variabilis, Spongia ceylonensis, Plakinastrella aff. clipptertonensis, Agelas aff. ceylonica, Agelas aff. mauritiana, and Hyrtios erectus from calcareous sponges, the noncalcareous Biemna tubulata, sediment, and seawater. Overall, the bacterial communities of calcareous sponges revealed unique prokaryotic profiles with low abundances of several bacterial phyla, and relatively high abundances of other taxa, for example, the phyla Fibrobacterota, Proteobacteria, and the SAR324 clade, the class Alphaproteobacteria, and orders Cytophagales and Cyanobacteriales, although there was considerable variation among species. Calcareous sponges also had a high dominance of unknown bacterial operational taxonomic units (OTUs). Considering the unique nature of these communities, further studies are needed to better understand the environmental and ecological drivers of calcareous sponge-associated bacterial communities and their relevance as potential sources of novel microbes of biotechnological interest.

Cleary, D. F. R. (ORCID:0000000261433390)↗

TOI-220 b : a warm sub-Neptune discovered by TESS

ABSTRACT In this paper, we report the discovery of TOI-220 b, a new sub-Neptune detected by the Transiting Exoplanet Survey Satellite (TESS) and confirmed by radial velocity follow-up observations with the HARPS spectrograph. Based on the combined analysis of TESS transit photometry and high precision radial velocity measurements, we estimate a planetary mass of 13.8 ± 1.0 M⊕ and radius of 3.03 ± 0.15 R⊕, implying a bulk density of 2.73 ± 0.47 $\rm {g\,cm}^{-3}$. TOI-220 b orbits a relative bright (V= 10.4) and old (10.1 ± 1.4 Gyr) K dwarf star with a period of ∼10.69 d. Thus, TOI-220 b is a new warm sub-Neptune with very precise mass and radius determinations. A Bayesian analysis of the TOI-220 b internal structure indicates that due to the strong irradiation it receives, the low density of this planet could be explained with a steam atmosphere in radiative–convective equilibrium and a supercritical water layer on top of a differentiated interior made of a silicate mantle and a small iron core.

Hoyer, S.↗

Searching water megamasers by using mid-infrared spectroscopy (I): Possible mid-infrared indicators

ABSTRACT Water megamasers at 22 GHz with a gas disc configuration in galaxies provide the most precise measurements of supermassive black hole masses, as well as independent constraints on the Hubble constant in the nearby universe. The existence of other maser types, such as jet or outflow masers, represents another tracer for AGN science. However, the detection rate of water megamasers in galaxies is extremely low. Over 40 yr, only ∼ 160 galaxies are found to harbour maser emission, and ∼30 per cent of them show features in their maser emission that indicate a disc-like geometry. Therefore, increasing the detection rate of masers is a crucial task to allow expanding on maser studies. We present a comparison of mid-infrared spectroscopic data between a maser galaxy sample and a Seyfert 2 control sample. We find that maser galaxies show significant peculiarities in their mid-infrared spectra: (1) Maser galaxies tend to present stronger silicate absorption at τ9.7 $\mu\mathrm{ m}$ than the control sample, (2) PAH 11.3 $\mu$m emission in maser galaxies is much weaker than in the control sample, (3) spectral indices at 20–30 $\mu$m are steeper in maser galaxies than in the control sample and tend to be mid-infrared enhanced population. We conclude that there may be good indicators in mid-infrared and far-infrared which could differentiate maser and non-maser Seyfert 2 galaxies. Upcoming infrared facilities, such as the James Webb Space Telescope, may be able to exploit these and other useful criteria and tracers for water megamaser observations.

Lam, Man I.↗

Mineralogy of the deep lower mantle in the presence of H 2 O

Understanding the mineralogy of the Earth's interior is a prerequisite for unravelling the evolution and dynamics of our planet. Here, we conducted high pressure-temperature experiments mimicking the conditions of the deep lower mantle (DLM, 1800–2890 km in depth) and observed surprising mineralogical transformations in the presence of water. Ferropericlase, (Mg, Fe)O, which is the most abundant oxide mineral in Earth, reacts with H 2 O to form a previously unknown (Mg, Fe)O 2 H x (x ≤ 1) phase. The (Mg, Fe)O 2 H x has a pyrite structure and it coexists with the dominant silicate phases, bridgmanite and post-perovskite. Depending on Mg content and geotherm temperatures, the transformation may occur at 1800 km for (Mg 0.6 Fe 0.4 )O or beyond 2300 km for (Mg 0.7 Fe 0.3 )O. The (Mg, Fe)O 2 H x is an oxygen excess phase that stores an excessive amount of oxygen beyond the charge balance of maximum cation valences (Mg 2+ , Fe 3+ and H + ). This important phase has a number of far-reaching implications including extreme redox inhomogeneity, deep-oxygen reservoirs in the DLM and an internal source for modulating oxygen in the atmosphere.

58 GEOSCIENCES↗

Ab initio prediction of an order-disorder transition in Mg 2 Ge O 4 : Implication for the nature of super-Earth's mantles

Here we present an ab initio prediction of an order-disorder transition (ODT) from a I¯42d-type to Th 3 P 4 -type phase in the cation sublattices of Mg 2 GeO 4 , a post-post-perovskite phase. This uncommon type of prediction is achieved by carrying out a high-throughput sampling of atomic configurations in a 56-atom supercell followed by a Boltzmann ensemble statistics calculation. Mg 2 GeO 4 is a low-pressure analog of I¯42d-type Mg 2 SiO 4 , a predicted major planet-forming phase of super-Earths' mantles. Therefore, a similar ODT is anticipated in I¯42d-type Mg 2 SiO 4 as well, which should impact the internal structure and dynamics of these planets. Furthermore, the prediction of this Th 3 P 4 -type phase in Mg 2 GeO 4 further enhances the relationship between the crystal structures of Earth/planet-forming silicates and oxides at extreme pressures and those of rare-earth sesquisulfides at low pressures.

36 MATERIALS SCIENCE↗

Multilevel atomic structural model for interstratified opal materials

The structure of opal has long fascinated scientists. It occurs in a number of structural states, ranging from amorphous to exhibiting features of stacking disorder. Opal-CT, where C and T signify cristobalite- and tridymite-like interstratification, represents an important link in the length scales between amorphous and crystalline states. However, details about local atomic (dis)order and arrangements extending to long-range stacking faults in opal polymorphs remain incompletely understood. Here, a multilevel modeling approach is reported that considers stacking states in correlation with the abundance of C and T segments as a high-level structural parameter (i.e. not each atom). Optimization accounting for inter-tetrahedral bond lengths and angles and the regularity of the silicate tetrahedra is included as lower levels of structural parameters. Together, a set of parameters with both coarse-grained and atomistic features for different levels of structural details is refined. Structural disorder at the ~10–100 Å distance scale is evaluated using experimental pair distribution function and diffraction datasets, comparing peak intensities, widths and asymmetry. Here this work presents a complete multilevel structural description of natural opal-CT and explains many of the unusual features observed in X-ray powder diffraction patterns. This modeling approach can be adopted generally for analyzing layered materials and their assembly into 3D structures.

36 MATERIALS SCIENCE↗

Development of APCVD BSG and POCl 3 Codiffusion Process for Double-Side TOPCon Solar Cell Precursor Fabrication

This paper presents a commercially viable process for fabricating a high-quality double-side tunnel oxide passivating contact (DS-TOPCon) cell precursor using APCVD-deposited boron silicate glass and ex-situ POCl 3 diffusion in a single high-temperature step, eliminating the need for additional masking and diffusion processes. A two-tier temperature profile was developed, involving a pre-annealing at above 900°C in nitrogen (N2) ambient followed by POCl 3 diffusion at 840°C. We investigated the effect of varying pre-annealing temperatures, ranging from 875°C to 950°C, on the passivation quality and metal-Si contact properties of both n-TOPCon and p-TOPCon layers. The resultant DS-TOPCon cell precursor after silicon nitride (SiNX) passivation exhibited an excellent iV OC of close to 730 mV. In addition, a rapid asymmetric poly-Si thinning technique, developed in this work, enabled adjustment of the front n + poly-Si thickness while maintaining the rear p + poly-Si thickness. Two types of DS-TOPCon cell architectures can be fabricated: i) full-area thin (≈40nm) n-TOPCon layer on the front and ii) selective-area thick (≈200nm) n-TOPCon fingers underneath the metal grid. Device simulations suggest that full-area DS-TOPCon cell with 40 nm n + poly-Si and selective-area DS-TOPCon cell with 200 nm n + poly fingers on the front, fabricated from our current DS-TOPCon cell precursor, can achieve cell efficiencies of 22.1 and 23.5%, respectively. Detailed power loss analysis and device simulation reveal that further improvements in material and device parameters have potential to push the cell efficiencies of DS-TOPCon cell structure beyond 25%, making it a promising alternative to fabricate a high-efficiency next-generation solar cells at low cost.

14 SOLAR ENERGY↗

On the bulk compaction of brittle granular materials, Part III: Brittle‐to‐ductile transition and yield strength

A new and simple method is presented that enables the estimation of the yield strength (σ y ) of brittle materials (e.g., ceramics, glasses). It results from the combination of sufficiently high-stress compaction of their granular form, postmortem analysis of the crushed particles to identify the critical particle size corresponding to their brittle-to-ductile transition, and the use of a developed and simple analytical expression. Here, this method was an outcome from Part I of this three-paper series. To execute it, a granular brittle material is compacted to a sufficiently high stress, whereby the acting comminution produces both a fraction of particles having a sufficiently small size formed by ductile or plastic-like deformation and a remaining fraction of larger particles formed from brittle fracture. Postmortem microscopy is then used to identify the smallest particle size whose morphology indicates it formed from brittle fracture (d B2D ). The brittle material's σ y can then be estimated using a combination of the d B2D , Kendall's and Griffith's theories, a priori knowledge of the material's fracture toughness (K Ic ), and a fracture mechanics shape factor constant (Y) using σ y = √((32 π K Ic 2 )/(3 Y 2 d B2D )). The method's development and its use to estimate σ y for several vitreous silicates, α-quartzes, and NaCl are provided.

Compaction↗

Looking through model medieval green glasses: From color to recipe

Abstract The colors of medieval stained glasses depend on their chemical composition. The redox interactions in glass between iron and copper and their influence on the color were investigated in two soda‐lime silicate model glasses. Both glasses have close iron and copper redox ratios and copper oxidizes iron when the iron content is smaller than the copper content. The redox speciation of iron and copper was determined using combining x‐ray and optical absorption spectroscopies in relation with the resulting color. The molar extinction coefficient of Cu 2+ was estimated from the combined analysis to be 32 mol/L/cm. The glass color change from green to blue‐green color is assigned to the decrease of the total iron content, confirming that ancient glassmakers could control the final color with the glass recipe. These results provide reference data for further spectroscopic investigations of medieval stained glasses. Comparison with ancient copper‐colored green glass compositions suggests that the higher ratio of copper to iron total contents was imposed by the more reducing melting conditions in medieval furnaces.

Hunault, Myrtille O. J. Y.↗

Statistical generic design of glass and optimization: Selective review on oxide glasses

Designing a single glass composition for a multidimensional property space is challenging, and the difficulty increases with the number of design criteria. Traditionally, the task is accomplished using multiple statistical models that describe the relationships between composition (C) and property (P) values, i.e., C-P models. Recently, the structure (S)-property (P) statistical modeling has emerged as a complementary approach. The S-P modeling approach has also been shown to be a preferred method for modeling glass properties, particularly when a small data set is available, such as in single-component studies, or when strong nonlinearities exist between composition and properties. The combined model package, C-S-P, implements the concept of generic glass design, i.e., designing glass for performance by first selecting a specific or optimized set of glass network structural groups using S-P models and then transferring the designed structures (genes) to a particular composition using C-S models. This article reviews a set of supporting cases from the previous C-S-P modeling studies of phosphate, silicate, and borosilicate glasses, which are relevant for many critical commercial applications. The methodology for developing the statistical C-S-P database is presented, enabling the application of P?S?C to achieve a generic glass design and optimization, targeting multiple design criteria for both performance and processing properties simultaneously.

Network structure↗

In situ investigation of phosphonate retarder interaction in oil well cements at elevated temperature and pressure conditions

In this paper, the effect of a high-performance retarding additive in oil well cements was investigated under elevated temperature (165°C) and pressure (1000 psi) conditions via in situ synchrotron-based X-ray diffraction (XRD) and quasielastic neutron scattering (QENS) techniques. Under these temperature and pressure conditions, crystalline calcium silicate hydrates (C–S–H) are formed through the cement hydration process. From in situ XRD experiments, the retardation effect was observed by a change in the rate of the appearance of 11 Å tobermorites as well as a change in the rate of the α-C 2 SH generation and depletion. QENS analysis revealed that the retardation effect was related to the non-conversion of free water to chemical and constrained water components. A high presence of free water components was attributed to a decrease in 11Å tobermorites along with slower consumption of the quartz and portlandite phases. Furthermore, QENS results infer that the water molecules experienced confinement in the restricted pore spaces. The retarder inhibited this initial water confinement by slowing the bulk diffusion of free water in the confined region.

36 MATERIALS SCIENCE↗

Structural drivers controlling sulfur solubility in alkali aluminoborosilicate glasses

Abstract If the direct feed approach to vitrify the Hanford's tank waste is implemented, the low activity waste (LAW) will comprise higher concentrations of alkali/alkaline‐earth sulfates than expected under the previously proposed vitrification scheme. To ensure a minimal impact of higher sulfate concentrations on the downstream operations and overall cost of vitrification, advanced glass formulations with enhanced sulfate loadings (solubility) are needed. While, the current sulfate solubility predictive models have been successful in designing LAW glasses with sulfate loadings <2 wt.%, it will be difficult for them to design glass compositions with enhanced loadings due to our limited understanding of the fundamental science governing these processes. In this pursuit, this article unearths the underlying compositional and structural drivers controlling the sulfate solubility in model LAW glasses. It has been shown that the preferentially removes non‐framework cations from the modifier sites in the silicate network, thus, leading to the polymerization in the glass network via the formation of ring‐structured borosilicate units. Furthermore, though the sulfate solubility slightly decreases with increasing Li + /Na + in the glasses, the prefers to be charge compensated by Na + , as it is easier for to break Na–O bonds instead of Li–O bonds.

Xu, Xinyi↗

Impact of aqueous solution pH on network structure of corrosion–induced surface layers of boroaluminosilicate glass

Understanding of the long-term stability of vitrified nuclear waste glass is critical to its safe storage, but knowledge gaps remain regarding the corrosion mechanism, especially with respect to surface alteration layers whose presence changes the observed corrosion rates. Here, we report the aqueous corrosion of a model boroaluminosilicate glass at ground water relevant pHs as investigated by vibrational spectroscopy to understand the network structure of the alteration layer that we hypothesize controls the corrosion rates. Both specular reflection infrared spectroscopy and infrared variable angle spectroscopic ellipsometry were used to elucidate details of the structure of the alteration layers formed at pH 7 and pH 9. After 2312 days, the thickness of the alteration layer is found to be ~2000 nm for corrosion at pH 7 and ~300 nm for corrosion at pH 9. Here, the interpretation of the vibrational spectra suggests that alteration layers formed at pH 7 and pH 9 both exhibit a porous network with "silica-like" structures, but with differences in the bond lengths and bond angles in the glass network. Moreover, the relative abundance of the hydrous species within the porous network appears to be dependent on pH. Additionally, the spectroscopic data suggest that the B and Ca trapped in the alteration layer during the secondary corrosion of the pH 9 pre-corroded sample in pH 3 solution are hydrated within the nano-porous layer and not bound to the silicate network. However, the precise chemical form remains to be determined. Based on these findings, we propose that the combination of the network structure of the alteration layer and the relative abundance of hydrous species within the alteration layer act to control the transport of ionic species dissolved from the reaction front to the aqueous solution outside the glass.

36 MATERIALS SCIENCE↗

Multivariate analysis: An essential for studying complex glasses

Understanding the impact of individual compositional components on the devitrification of complex multicomponent glasses, for example, 10–50+ oxides, typically requires numerous studies to examine each component's impact. Here we apply exploratory data analysis (EDA) to a heterogeneous data set of silicate glasses to determine the cations’ individual and interacting effects on the crystallization of nepheline (nominally NaAlSiO 4 ). Our data consisted of 795 simulated high-level nuclear waste glasses composed of, on average, 50 oxide components. We determine the interactions in the heterogeneous data that cause deviations from the behavior found in simplified composition studies. Using both univariate and bivariate EDA techniques, we demonstrate the importance of including calculated structural glass parameters on nepheline's devitrification, including field strength, cation-to-anion radius ratio, and single-bond strength. Here, we also show that studies with simplified glass compositions may fall short in generating knowledge directly transferrable to complex glass compositions. The method used in this study has the potential to inform experimental design for simplified compositions (~6+ oxides) that can generate knowledge directly transferrable to complex, multivariable compositions. The observations reported here have broad implications for any study attempting to map the physical properties of a complex glass containing numerous cations.

36 MATERIALS SCIENCE↗

Effect of iron redox ratio on the structures of boroaluminosilicate glasses

Iron oxide is commonly found in natural or industrial glass compositions and can exist as ferrous (Fe 2+ ) or ferric (Fe 3+ ) species, with their ratios depending on glass composition, temperature, pressure and the redox reactions during the glass forming process. The iron redox ratio plays an important role on silicate glass structures and consequently various properties. This work aims to study the effect of iron oxide, and particularly the iron redox ratio, on the structures of borosilicate and boroaluminosilicate glasses using molecular dynamics simulations with newly developed iron potential parameters that are compatible with the borosilicate potentials. The results provide detailed cation coordination states of both iron species and the effect of redox ratio on boron coordination and other structural features. Particularly, competition for charge compensating modifier cations (such as Na + ) among the fourfold-coordinated cations such as B 3+ , Al 3+ , and Fe 3+ is investigated by calculating the cation–cation pair distribution functions and coordination preferential ratios. The results show that the trivalent ferric ions, with a shorter Fe–O bond distance and better defined first coordiation shell with mainly four-fold coordination, act as a glass former whereas the divalent ferrous ions mainly play the role of glass modifier. The ferrous/ferric ratio (Fe 2+ /Fe 3+ ) was found to affect the glass chemistry and hence glass properties by regulating the amount of four-coordinated boron, the fraction of non-briding oxygen and other features. Finally, the results are compared with available experimental data to gain insights of the complex structures and charge compensation schemes of the glass system.

36 MATERIALS SCIENCE↗