Uncertainty quantification in numerical simulation of particle-laden flows

Numerical models can help to push forward the knowledge about complex dynamic physical systems. Modern approaches employ detailed mathematical models, taking into consideration inherent uncertainties on input parameters (phenomenological parameters or boundary and initial conditions, among others). Particle-laden flows are complex physical systems found in nature, generated due to the (possible small) spatial variation on the fluid density promoted by the carried particles. They are one of the main mechanisms responsible for the deposition of sediments on the seabed. A detailed understanding of particle-laden flows, often referred to as turbidity currents, helps geologists to understand the mechanisms that give rise to reservoirs, strategic in oil exploration. Uncertainty quantification (UQ) provides a rational framework to assist in this task, by combining sophisticated computational models with a probabilistic perspective in order to deepen the knowledge about the physics of the problem and to access the reliability of the results obtained with numerical simulations. This work presents a stochastic analysis of sediment deposition resulting from a turbidity current considering uncertainties on the initial sediment concentrations and particles settling velocities. The statistical moments of the deposition mapping, like other important features of the currents, are approximated by a Sparse Grid Stochastic Collocation method that employ a parallel flow solver for the solution of the deterministic problems associated to the grid points. The whole procedure is supported and steered by a scientific workflow management engine designed for high performance computer applications.     

The first description and confirmation of the Vista Alegre impact structure in the Paraná flood basalts of southern Brazil

Abstract– The Vista Alegre structure, centered at 25°57′S and 52°41′W, has been recently proposed as a meteorite impact structure. The 9.5 km‐diameter structure is located in the Paraná state of southern Brazil, within the Paraná Basin, which contains one of the largest and most extensive flood basalt provinces on Earth. The Paraná flood basalts belong to the Serra Geral Formation and are temporally related to the opening of the South Atlantic Ocean, having been dated at about 133–132 Ma. Tholeiitic basalts dominate the western portion of Paraná state, with some minor rhyodacites. Morphologically, Vista Alegre has a prominent circular outline, in the form of an incomplete ring of escarpments, and an inner depression. The presence of a central uplift is not obvious, but it is inferred by the occurrence of deformed sandstone blocks near the center of the structure. These sandstones are possibly related to the Triassic Pirambóia Formation and/or to the Cretaceous Botucatu Formation. These units are normally at stratigraphic depths of about 700–800 m below the present surface in this portion of the Paraná Basin. The structure appears to be in an advanced erosion stage and its interior is occupied by a soil cover several meters thick, extensively used for agriculture. As a result there are limited outcrops in the interior of the structure, all of polymict breccias, some of them melt‐bearing. We report the extensive occurrence of shatter cones, in the form of fine‐grained rock clasts within the polymict breccias. The shatter cone‐bearing breccias occur at different locations within the structure, separated by several kilometers. The nested shatter cones range in size from about 0.5 to 20 cm for individual cones, and up to half a meter for complete assemblages. The shatter cones formed in fine‐grained Parana flood basalt and might be the first examples of shatter cones in such a rock type. In addition, planar deformation features (PDFs) were found in quartz grains within sedimentary rock clasts of the polymict breccia. These findings confirm the impact origin of the Vista Alegre structure.     

Laboratory simulation of interplanetary ultraviolet radiation (broad spectrum) and its effects on Deinococcus radiodurans

The radiation-resistant bacterium Deinococcus radiodurans was exposed to a simulated interplanetary UV radiation at the Brazilian Synchrotron Light Laboratory (LNLS). Bacterial samples were irradiated on different substrates to investigate the influence of surface relief on cell survival. The effects of cell multi-layers were also investigated. The ratio of viable microorganisms remained virtually the same (average 2%) for integrated doses from 1.2 to 12 kJ m⁻², corresponding to 16 h of irradiation at most. The asymptotic profiles of the curves, clearly connected to a shielding effect provided by multi-layering cells on a cavitary substrate (carbon tape), means that the inactivation rate may not change significantly along extended periods of exposure to radiation. Such high survival rates reinforce the possibility of an interplanetary transfer of viable microbes.     

The Colônia structure,São Paulo,Brazil

Abstract– The near‐circular Colônia structure, located in the southern suburbs of the mega‐city of São Paulo, Brazil, has attracted the attention of geoscientists for several decades due to its anomalous character and the complete absence of any plausible endogenous geologic explanation for its formation. Origin by impact cratering has been suggested repeatedly since the 1960s, but no direct evidence for this has been presented to date. New seismic data have been recently acquired at Colônia, providing new insights into the characteristics and possible layering of infill of the structure, as well as into the depth to the underlying basement. We review the current knowledge about the Colônia structure, present the new seismic data, and discuss the existing—as yet still indirect—evidence for a possible origin by an impact. The new data suggest the existence of a sedimentary fill of approximately 275 m thickness and also the presence of two intermediate zones between sediment and basement: an upper zone that is approximately 65 m thick and can be interpreted as a possible crater‐fill breccia, whereas the other zone possibly represents fractured/brecciated basement, with a thickness of approximately 50 m. Although this depth to basement seems to be inconsistent with the expected geometry of a simple, bowl‐shape impact structure of such diameter, there are a number of still unconstrained parameters that could explain this, such as projectile nature, size and velocity, impact angle, and particularly the current erosion depth.     

The complex impact structure Serra da Cangalha,Tocantins State,Brazil

Abstract– Serra da Cangalha is a complex impact structure with a crater diameter of 13,700 m and a central uplift diameter of 5800 m. New findings of shatter cones, planar fractures, feather features, and possible planar deformation features are presented. Several ring‐like features that are visible on remote sensing imagery are caused by selective erosion of tilted strata. The target at Serra da Cangalha is composed of Devonian to Permian sedimentary rocks, mainly sandstones that are interlayered with siltstone and claystones. NNE–SSW and WNW–ESE‐striking joint sets were present prior to the impact and also overprinted the structure after its formation. As preferred zones of weakness, these joint sets partly controlled the shape of the outer perimeter of the structure and, in particular, affected the deformation within the central uplift. Joints in radial orientation to the impact center did not undergo a change in orientation during tilting of strata when the central uplift was formed. These planes were used as major displacement zones. The asymmetry of the central uplift, with preferred overturning of strata in the northern to western sector, may suggest a moderately oblique impact from a southerly direction. Buckle folding of tilted strata, as well as strata overturning, indicates that the central uplift became gravitationally unstable at the end of crater formation.     

Pollution effects of the Tuy River on the central Venezuelan coast: Anthropogenic organic compounds and heavy metals in Tivela mactroidea

Bivalve samples were collected at seven sampling stations located between the town of Machurucuto and the Bay of Higuerote, Venezuela, covering approximately 70 km of coastline. Samples were collected both east and west of the Tuy River mouth, which has a plume known to move in a north-westerly direction. Petroleum hydrocarbons, both aliphatic (n-alkanes and UCM) and polyaromatic (PAHs), were detected and quantified in the samples. These hydrocarbons were found to be primarily derived from fossil fuels. Halogenated organics consisted mostly of polychlorinated biphenyls (PCBs) and some chlorinated pesticides, primarily of the DDT group. Heavy metals such as Pb, Cu, Ni, Zn, Cr and Cd were analysed in the samples. The results clearly show the influence of the Tuy River plume on the water quality of the coastal zone, particularly that located west of the river mouth. One sampling station, located just east of the river mouth, also showed significant influence from the river plume.     

The Platanar-Aguas Zarcas volcanic centers,Costa Rica: spatial-temporal association of Quaternary calc-alkaline and alkaline volcanism

The Platanar volcanic center is dominated by a calc-alkaline, basalt-andesite-dacite-rhyolite magma series with unusual LREE enrichment. Adjacent and overlapping the calc-alkaline rocks are the most alkaline basalts found along the volcanic front of Central America. These basalts are mafic, LIL- and LREE-enriched transitional to alkaline basalts. Several are found on the north flank of Platanar in the Aguas Zarcas region, where there are nine cinder cones and a few isolated flows. However, they are also found in isolated lava outcrops at least as far south as Porvenir volcano along the volcanic front. The addition of mafic alkaline magmas with high La/Yb and low Ba/La into the Platanar magma chamber or chambers may contribute to the LREE-enriched character of the Platanar basaltic andesites and andesites. At Platanar the field and geochemical evidence suggest mixing between calc-alkaline and alkaline magmas, a process that has probably occurred throughout the development of the Cordillera Central of Costa Rica. The presence of negative Ce anomalies in several of the calc-alkaline lavas also make the Platanar complex very unusual compared to the rest of the Central American volcanic front. In the center of the Platanar complex is the Chocosuela caldera, an apparent remnant of an avalanche caldera created by the collapse in the Middle Pleistocene of an ancestral stratovolcano toward the NNW in a directed blast-type eruption. Rhyolite is present as pumice lapilli in pyroclastic flow deposits outside the caldera rim. Whole lapilli analyses span the daciterhyolite range. The previous eruption of high silica tephra as pyroclastic flows, the current long dormant period and the repeated occurrence of earthquake swarms on the flanks of the Platanar complex make it a candidate for volcanic hazard mapping, detailed geological mapping and emergency planning.     

Quartz‐in‐garnet and Ti‐in‐quartz thermobarometry: Methodology and first application to a quartzofeldspathic gneiss from eastern Papua New Guinea

Mineral inclusions are ubiquitous in metamorphic rocks and elastic models for host‐inclusion pairs have become frequently used tools for investigating pressure–temperature (P–T) conditions of mineral entrapment. Inclusions can retain remnant pressures () that are relatable to their entrapment P–T conditions using an isotropic elastic model and P–T–V equations of state for host and inclusion minerals. Elastic models are used to constrain P–T curves, known as isomekes, which represent the possible inclusion entrapment conditions. However, isomekes require a temperature estimate for use as a thermobarometer. Previous studies obtained temperature estimates from thermometric methods external of the host‐inclusion system. In this study, we present the first P–T estimates of quartz inclusion entrapment by integrating the quartz‐in‐garnet elastic model with titanium concentration measurements of inclusions and a Ti‐in‐quartz solubility model (QuiG‐TiQ). QuiG‐TiQ was used to determine entrapment P–T conditions of quartz inclusions in garnet from a quartzofeldspathic gneiss from Goodenough Island, part of the (ultra)high‐pressure terrane of Papua New Guinea. Raman spectroscopic measurements of the 128, 206, and 464 cm^?1 bands of quartz were used to calculate inclusion pressures using hydrostatic pressure calibrations (), a volume strain calculation (), and elastic tensor calculation (), that account for deviatoric stress. values calculated from the 128, 206, and 464 cm^?1 bands’ hydrostatic calibrations are significantly different from one another with values of 1.8 ± 0.1, 2.0 ± 0.1, and 2.5 ± 0.1 kbar, respectively. We quantified elastic anisotropy using the 128, 206 and 464 cm^?1 Raman band frequencies of quartz inclusions and stRAinMAN software (Angel, Murri, Mihailova, & Alvaro, 2019,  234 :129–140). The amount of elastic anisotropy in quartz inclusions varied by ~230%. A subset of inclusions with nearly isotropic strains gives an average and of 2.5 ± 0.2 and 2.6 ± 0.2 kbar, respectively. Depending on the sign and magnitude, inclusions with large anisotropic strains respectively overestimate or underestimate inclusion pressures and are significantly different (<3.8 kbar) from the inclusions that have nearly isotropic strains. Titanium concentrations were measured in quartz inclusions exposed at the surface of the garnet. The average Ti‐in‐quartz isopleth (19 ± 1 ppm [2σ]) intersects the average QuiG isomeke at 10.2 ± 0.3 kbar and 601 ± 6°C, which are interpreted as the P–T conditions of quartzofeldspathic gneiss garnet growth and entrapment of quartz inclusions. The P–T intersection point of QuiG and Ti‐in‐quartz univariant curves represents mechanical and chemical equilibrium during crystallization of garnet, quartz, and rutile. These three minerals are common in many bulk rock compositions that crystallize over a wide range of P–T conditions thus permitting application of QuiG‐TiQ to many metamorphic rocks.     

Al Huwaysah 010: The most reduced brachinite,so far

Al Huwaysah 010 is an ungrouped achondrite meteorite, recently referred to as a brachinite-like meteorite. This meteorite, showing a fine-grained assemblage of low-Ca pyroxene and opaque phases, is strongly reduced in comparison to other reduced brachinites. The occurrence of some tiny plates of graphite and oldhamite in this meteorite suggests that a partial melt residue has experienced a further reduction process. Olivine, the most abundant phase, is compositionally homogeneous (Fo_83.3) as well as the clinopyroxene (En_45.5Fs_10.8Wo_43.7) and the plagioclase (Ab_69.5). Orthopyroxene (En_85.4Fs_13.9Wo_0.7) also occurs but only in a fine intergrowth. Other accessory phases are Fe metal grains (Ni-free or Cr-bearing Fe-Ni alloy), troilite, chlorapatite, pentlandite (as inclusions in chromite). The sample shows two different closure temperatures: the highest (≈900°C) is determined via the olivine–chromite intercrystalline geothermometer and the lowest temperature (≈520°C) is determined via the pyroxene-based intracrystalline geothermometer. These temperatures may represent, respectively, the closure temperature associated with the formation and a subsequent impact event excavating the sample from the parental body. The visible to near-infrared (VNIR) reflectance spectra of Al Huwaysah 010 exhibit low reflectance, consistent with the presence of darkening components, and weak absorptions indicative of olivine and pyroxene. Comparing the spectral parameters of Al Huwaysah 010 to potential parent bodies characterized by olivine–pyroxene mineralogy, we find that it falls within the field previously attributed to the SIII type asteroids. These results lead us to classify the Al Huwaysah 010 meteorite as the most reduced brachinite, whose VNIR spectral features show strong affinities with those of SIII asteroids.     

Trace-element heterogeneity in rutile linked to dislocation structures: Implications for Zr-in-rutile geothermometry

The trace-element composition of rutile is commonly used to constrain P–T–t conditions for a wide range of metamorphic systems. However, recent studies have demonstrated the redistribution of trace elements in rutile via high-diffusivity pathways and dislocation-impurity associations related to the formation and evolution of microstructures. Here, we investigate trace-element migration in low-angle boundaries formed by dislocation creep in rutile within an omphacite vein of the Lago di Cignana unit (Western Alps, Italy). Zr-in-rutile thermometry and inclusions of quartz in rutile and of coesite in omphacite constrain the conditions of rutile deformation to around the prograde boundary from high pressure to ultra-high pressure (~2.7 GPa) at temperatures of 500–565°C. Crystal-plastic deformation of a large rutile grain results in low-angle boundaries that generate a total misorientation of ~25°. Dislocations constituting one of these low-angle boundaries are enriched in common and uncommon trace elements, including Fe and Ca, providing evidence for the diffusion and trapping of trace elements along the dislocation cores. The role of dislocation microstructures as fast-diffusion pathways must be evaluated when applying high-resolution analytical procedures as compositional disturbances might lead to erroneous interpretations for Ca and Fe. In contrast, our results indicate a trapping mechanism for Zr.