Phase Equilibria Modelling Research Articles

Neoarchean clockwise P-T trajectories with evolution sequence from HP to UHT metamorphism during decompression: Evidence from petrology, mineralogy, and phase equilibria modeling of mafic granulites in the Sittampundi Complex, southern India

The dispute of tectonic environments such as subduction-collision setting versus extension tectonic setting, is a common phenomenon in the Precambrian. Despite the ongoing controversy, the pressure–temperature (P–T) paths recorded by metamorphic rocks are often used as an indicator for distinguishing between subduction-collision and extension tectonic settings in the early Precambrian. It is widely acknowledged that high-pressure (HP) granulites may have formed in crustal-thickening-dominated collision/subduction environment. Conversely, ultra-high temperature (UHT) granulites may have formed in the elevated mantle heat flux environment. The Sittampundi Complex (SC), where HP granulites and UHT granulites coexist, plays a crucial role in unraveling the late-Neoarchean to early-Paleoproterozoic tectonic evolution of northern South Granulite-facies Terrane (NSGT) of India. In this study, we present new P–T paths from three HP mafic granulites overprinted by UHT granulite facies metamorphism in the SC and provide more data to unravel metamorphic evolution of NSGT. Phase equilibria modeling and traditional thermobarometry calculations illustrated that clockwise metamorphic pressure–temperature (P–T) paths were yielded, passing from 3.3 to 9.3 kbar/631–669 °C (prograde stage) through 11.9–18.5 kbar/828–986 °C (pressure-peak stage), and through 6.6–11.1 kbar/1019–1085 °C (temperature-peak stage) to 4.4–8.1 kbar/845–930 °C (retrograde stage). The HP mafic granulites exhibit clockwise P–T paths with a considerable heating process (ca. 150–180 °C) from the pressure-peak stage (HP-granulite sub-facies) to the temperature-peak stage (UHT-granulite sub-facies). Zircon U-Pb dating yields an age of 2513 ± 29 indicates that the metamorphism took place in the Neoarchean. The uncommon P–T paths from Neoarchean HP granulite in the NSGT suggest that during late Neoarchean, the NSGT had experienced the crustal-thickening dominated collision/subduction (assembly of micro-blocks of Dharwar Craton) and subsequently mantle diapirism process.

Transpression or polyphase deformation along craton margins: Insights from the Archean–Proterozoic boundary near Sudbury, Canada

Continental margins vary in composition and configuration, resulting in complex structural geometries during deformation. One example is the Archean–Proterozoic boundary near Sudbury, Canada, where the Creighton-Victoria Deformation Zone (CVDZ) contains both reverse dip-slip and dextral strike-slip kinematic indicators. To resolve if these structures formed during a single transpression event or multiple overprinting events, the orientation, relative timing and style of the CVDZ are compared to those of adjacent regional structures. Regional fold axes and their axial planar foliation are subparallel to the steeply-plunging stretching lineation and steeply-dipping foliation, respectively, along the CVDZ. Phase equilibria modelling of syn-tectonic staurolite-chloritoid assemblages indicates that the regional folds and foliation formed at 480–565 °C, similar to temperatures estimated for the formation of dip-slip quartz crystallographic preferred orientations (CPO) along the CVDZ. This suggests that the CVDZ, regional folds and foliation formed during the same regional folding and reverse shearing event. Major lateral lithological changes and inflections in the orientation of the craton margin controlled the formation of structures, and evidence for regional transpression, such as strike-slip kinematic indicators, steeply-plunging stretching lineation, and obliquity of regional folds with respect to major shear zones, resulted from polyphase deformation and transcurrent reactivation of the Superior craton margin.

A novel model to predict phase equilibrium state of hydrates from the relationship of gas solubility

The study of hydrate phase equilibrium is crucial for ensuring the safety of natural gas pipeline transportation and the process of hydrate recovery. While scientists typically focus on the chemical potential of hydrates, the role of gas solubility in hydrate phase equilibrium remains unclear, and this study fills this gap. This work investigated the solubility of gas at the equilibrium point of the hydrate phase through model calculations. Additionally, a new model of hydrate phase equilibrium is established based on the relationship between solubility. Firstly, a solubility model based on gas-liquid equilibrium theory showed higher prediction accuracy in comparison to the PR equation and Duan model and was then used to calculate gas solubility under hydrate phase equilibrium conditions. Afterwards, a novel model was developed to predict hydrate equilibrium state based on the relationship between gas solubility and hydrate phase equilibrium temperature, and it was further compared with the Chen–Guo model and CSMGem in terms of prediction accuracy under pure water and brine settings. The results showed: (a) The calculation deviation of the solubility model was 0.7–8.7% in pure water settings and 2.6–11.7% in brine settings; (b) A strong linear correlation between the phase equilibrium temperature of hydrates and gas solubility was also found; (c) This proposed model achieved over 10 times the accuracy of the Chen–Guo model and the CSMGem in predicting the phase equilibrium state of N2 and CO2 hydrates, and 3–10 times higher accuracy than that of the Chen–Guo model and CSMGem in brine. This work suggests that the gas solubility equilibrium theory can provide a more accurate prediction of hydrate states.

Early Cretaceous continental arc magmatism in the Wakhan Corridor, South Pamir: Mantle evolution and geodynamic processes during flat subduction of the Neo-Tethyan oceanic slab

The petrogenesis of continental arc magmas provides critical insights into thermal evolution and geodynamics of the continental lithosphere, crust-mantle interaction, and deep dynamic processes. In this study, we report new zircon U-Pb ages along with isotopic and elemental whole-rock geochemistry, mineral chemistry, and Hf-O isotope data for the Kalaqigu diorites and monzogranites of the Chinese Wakhan Corridor, South Pamir. Zircon U-Pb dating indicates that the Kalaqigu pluton was emplaced in the Early Cretaceous (ca. 108−106 Ma). The diorites are geochemically characterized by low SiO2 (51.9−54.5 wt%) and CaO (7.7−9.4 wt%) contents, but high MgO (5.3−8.3 wt%), Al2O3 (12.8−16.8 wt%), and TiO2 (0.6−1.1 wt%) contents as well as high Mg# (56−65) values. Thus, they are similar to high-Mg diorites: enriched in large ion lithophile elements (e.g., K, Sr, and Ba) and light rare earth elements, while depleted in high field strength elements (i.e., Nb, Ta, Zr, and Hf). Combined with negative εNd(t) (−6.9 to −14.0) and εHf(t) (−9.9 to −12.2), and high (87Sr/86Sr)i (0.7075−0.7086) ratios, these observations indicate that they originated from an enriched lithospheric mantle source. High δ18Ozrn (7.49‰−9.01‰) values, in conjunction with relatively high 207Pb/206Pb and 208Pb/206Pb ratios, suggest that the source was modified by subducted sediment-derived melts. Variable Cr contents (54−117 ppm) are likely controlled by minor fractionation of olivine and orthopyroxene. The monzogranites show high SiO2 contents (69.2−72.0 wt%), and low Rb/Sr (0.4−0.6), (K2O + Na2O)/CaO (2.6−4.8), and FeOT/MgO ratios (2.6−3.2). They contain diagnostic cordierite and show strongly peraluminous characteristics (A/CNK > 1.1) with high δ18Ozrn (7.82‰−8.85‰) values that are compatible with those of typical S-type granites. Their abundant inherited zircons, with age populations similar to those of detrital zircons from regional early Paleozoic metasedimentary rocks, indicate that they were derived from partial melting of ancient metasedimentary rocks. Phase equilibrium modeling is consistent with biotite-dehydration melting of metagreywacke, probably at ∼750 °C and ∼6.0 kbar, as indicated by the biotite chemistry. Based on regional geochronology, a south-to-north magmatic migration suggests that northward flat-slab subduction of the Neo-Tethyan oceanic slab played an important role in the generation of these widespread Early Cretaceous continental arc magmatic rocks. However, the granitoids were generated earlier than the mantle-derived mafic rocks, which suggests that crustal melting occurred during the early stage of subduction. The continuous flat-subduction resulted in partial melting of subducted sediments, which metasomatized the mantle wedge. Contemporaneous regional compression primarily occurred far north of the subduction zone (i.e., North and Central Pamir), inducing deformation as well as crustal shortening. With the flare-up of continental arc magmatism in South Pamir, crustal shortening moved southward. These processes, combined with the addition of voluminous, mantle-derived magmas, played an important role in crustal thickening in Pamir during the Early Cretaceous.

Phase Equilibrium and Thermodynamic Modeling of 2-Methyltetrahydrofuran-3-one, Carbon Dioxide, and Lauric Acid Systems

Phase Equilibrium and Thermodynamic Modeling of 2-Methyltetrahydrofuran-3-one, Carbon Dioxide, and Lauric Acid Systems

The passive margin of the southern São Francisco paleocontinent, metamorphic record and implications for the assembly of West Gondwana: Evidence from the Lima Duarte Nappe, Ribeira Orogen (SE Brazil)

In this contribution, we report new P-T (pressure–temperature) and U-Pb zircon geochronological data from the Lima Duarte Nappe and basement rocks from the Mantiqueira Complex, Central Ribeira Orogen, southeastern Brazil, highlighting their relevance to the understanding of the West Gondwana assembly. The lower metasedimentary sequence of the Lima Duarte Nappe records a passive margin environment, with a majority of Paleoproterozoic detrital zircon grains, with probable main source rocks located in the São Francisco paleocontinent. The upper foreland sequence of the Lima Duarte Nappe has a prevalence of Tonian-Cryogenian detrital zircon grains, absent in the lower passive margin sequence and source rocks were most likely in a magmatic arc developed during the convergence between the São Francisco and the Paranapanema paleoplates. Zircon rims from the Lima Duarte passive margin and foreland sequences, and zircon grains from an amphibolite of the Lima Duarte Nappe record granulite facies metamorphism at ca. 560–590 Ma (Th/U ratio < 0.1). Similar ages are recorded by CL-dark zircon rims and overgrowths in orthogneisses of the Mantiqueira Complex and are interpreted to reflect basement reworking. Metapelitic metatexites from the foreland sequence record granulite facies peak metamorphism at ∼ 780–800 °C and 8–9.5 kbar in the sillimanite-rutile stability field, constrained by phase equilibrium modeling. Rutile inclusions in garnet record minimum peak temperatures of ∼ 750 °C. The retrograde mineral assemblage in the matrix is marked by the disappearance of rutile and the presence of ilmenite and mineral compositions re-equilibrated at upper amphibolite facies. Late Tonian (ca. 850–750 Ma) metamafic rocks within the Mantiqueira and Juiz de Fora complexes might record an extensional intraplate mafic magmatism episode that culminated with the establishment of the passive margin at the south of the São Francisco paleocontinent. The Lima Duarte metasedimentary sequence along with the Canastra and Carrancas groups (western and southern portions of the Brasília Orogen, respectively) represent a Tonian proximal passive margin environment, developed at the margin of the São Francisco paleocontinent. The Lima Duarte Nappe metasedimentary units and the orthogneisses of the Mantiqueira Complex record Ediacaran syn-collisional metamorphism related to the Araçuaí-Ribeira Orogenic System.

Subduction erosion revealed by exhumed lower arc crustal rocks in an accretionary complex, northeastern China

Abstract Subduction erosion at convergent margins is a leading mechanism for the destruction (recycling and reworking) of continental crust. But because of the lack of direct evidence, it is not straightforward to identify erosive events and their intensities in fossil subduction zones. The Heilongjiang accretionary complex in northeastern China was formed during the early Mesozoic subduction of the Paleo-Pacific Ocean. We investigated amphibolites from this accretionary complex, whose protoliths (based on whole-rock trace elements and Sr-Nd-Hf isotopes) were mafic continental arc magmatic rocks (255–249 Ma; zircon core U-Pb ages) from the upper plate. Phase equilibria modeling constrained by mineral geochemistry indicates that the amphibolites and their wall rocks were first heated to low granulite facies (750–800 °C, ~7 kbar) at 251–244 Ma (zircon rim U-Pb ages) and then cooled to ~700 °C with increasing pressure (8–9 kbar) before 213–187 Ma (titanite and apatite U-Pb ages). To explain the occurrence of the lower arc crustal lithologies in the accretionary complex and their metamorphic history, we propose that the subducting plate strongly eroded the forearc crust, allowing the plate interface to advance landward and scrape the amphibolites and wall rocks formed under the old arc, which finally were exhumed along the subduction channel and became components of the complex. The case study exemplifies direct petrological evidence of strong subduction erosion occurring in an ancient orogen, thus implying that consumption of the entire forearc crust could occur within only ~50 m.y.

Ultrahigh thermal gradient granulites in the Narryer Terrane, Yilgarn Craton, Western Australia, provide a window into the composition and formation of Archean lower crust

AbstractGranulites from the Narryer Terrane in the northern Yilgarn Craton, Australia, record evidence for high to ultrahigh thermal gradients during the Meso–Neoarchean. U–Pb zircon ages reflect a complex history of high‐grade, prolonged and poly‐phase metamorphism, with evidence for several thermal pulses at ca. 2745–2725, ca. 2690–2660, and ca. 2650–2610 Ma. Forward phase equilibrium modeling on rocks with varying bulk compositions and mineral assemblages suggests that peak temperatures reached 880–920°C at pressures of 5.5–6 kbar at ca. 2690–2665 Ma, followed by near‐isobaric cooling. These new P–T results also indicate that these rocks experienced some of the hottest thermal gradient regimes in the metamorphic record (≥150°C/kbar). Based on P–T models, U–Pb ages, and geochemical constraints, our data suggest that the geodynamic setting for the formation of this unusual thermal regime is ultimately tied to cratonization of the Yilgarn Craton. Previous models have inferred that ultrahigh thermal gradients and coeval large‐scale anatexis in the Narryer Terrane were primarily generated by mantle‐driven processes, despite most of the lithological, isotopic, and geochemical observations being at odds with the expected geological expression of large‐scale mantle upwelling. We re‐evaluate the mechanisms for high‐grade metamorphism in the Narryer terrane and propose that long‐lived high crustal temperatures between ca. 2690 Ma and 2610 Ma were instead facilitated by elevated radiogenic heat production in thickened, highly differentiated ancient crust. Mantle‐derived magma input and new crustal addition may not be the only drivers for high‐ to ultrahigh‐temperature metamorphism and stabilization of ancient crustal blocks.

Eocene crustal thickening in the Tethyan Himalaya: Insights from Barrovian metamorphism and granite geochemistry from the Ramba area

Magmatism, structures, and metamorphism in the Ramba dome of the Tethyan Himalaya were investigated to shed light on orogenic processes during the early stages of the India-Asia collision. Deformed granite dikes in the dome envelope yield zircon U-Pb ages of ca. 45 Ma. These Eocene granites have adakitic, Na-rich compositions (K2O/Na2O = 0.20−0.61), weak to no Eu anomaly, enrichment in Sr, depletion in heavy rare earth elements and Y, and low MgO and Mg# contents. These characteristics contrast with the Miocene potassic granites in the core of the dome and suggest that the Eocene adakites were derived from the high-pressure melting of crustal amphibolites in a thick crust. The mica schists of the dome envelope have an early foliation (S1) that is overprinted by upright folds (F2). Phase-equilibria modeling of garnet and staurolite mica schists suggests a Barrovian-type, prograde P-T evolution in association with S1, with peak conditions of 6.7−7.2 kbar/590−605 °C and 7.3−7.8 kbar/650−670 °C, respectively, which are typical of crustal thickening metamorphism. Monazites from S1-dominated staurolite mica schists yield metamorphic ages of ca. 51−49 Ma, while those from the late foliation (S2) that transposed S1 give younger ages of ca. 10 Ma. The integration of geochemical, structural, metamorphic, and geochronological data suggests that peak Barrovian D1 metamorphism and adakitic magmatism occurred in the Eocene in response to crustal thickening. The results provide critical constraints for addressing the crustal shortening deficit of the region.

Paleoproterozoic Reworking of Archean Crust and Extreme Back‐Arc Metamorphism in the Enigmatic Southern Trans‐Hudson Orogen

AbstractThe crustal evolution of the southernmost ∼2000–1800 Ma Trans‐Hudson orogen (THO) is enigmatic due to burial by Phanerozoic sediments. We provide new insights through petrochronologic analysis of a paragneiss drill core sample. Detrital zircon age peaks at 2625, 2340, and 1880 Ma and Hf isotopes suggest Paleoproterozoic arc development proximal to Archean source(s). Phase equilibria modeling and ternary feldspar thermometry suggest peak conditions of ≥1 GPa, ≥900°C, the first recognition of extreme, ultra‐high temperature metamorphism in the THO. The largely isobaric P‐T path, rapid heating rate, and ∼20 Myr duration (1872–1850 Ma) of peak conditions suggest that this metamorphism occurred in a back‐arc tectonic setting. The sample records post‐peak (1850–1815 Ma) mid‐crustal residence, slow cooling, and exhumation. Further retrogression occurred during Proterozoic regional exhumation (1630–1470 Ma) and Phanerozoic (360–220 Ma) reheating and/or fluid influx. Evidence for Paleoproterozoic arc(s) supports geophysical data for Archean cratonic and Paleoproterozoic arc crust in this region.

Early Paleozoic metamorphism and anatexis of lower retro−/back-arc crust in the western Central Qilian belt, NE Tibet

The tectonic-thermal mechanism of crustal melting provides vital information on continental differentiation and orogenic evolution. This study aims to understand the evolution and tectonic setting of newly discovered lower crustal leucosome-rich granulites of the Qilian Orogen, NW China. Tonalitic leucosome within garnet amphibolite occurs in net-like arrays or as stringers and has diffuse boundaries with the host, with enriched LILE, and high Sr and Sr/Y ratios, similar to that of adakite, formed by water-fluxed melting. However, granitic leucosome within garnet granitic gneiss shows sharp contacts with the host, and has low Sr, Ba, K and Pb but high Rb, Rb/Sr, with negative Eu anomalies, consistent with dehydration melting. Petrographic observations, geochemical data and pseudosection modelling suggest that garnet amphibolite experienced water-fluxed melting and garnet granitic gneiss underwent dehydration melting, respectively. LA-ICP-MS zircon and titanite dating indicate the anatectic event proceeded at ∼480–470 Ma. Phase equilibrium modelling suggests the garnet amphibolite and garnet granitic gneiss share a similar P-T path involving decompression heating from ∼12.1 kbar/711–746 °C to reach peak temperatures of 798–836 °C at 10.4 kbar, and subsequently decompression cooling to 4.6–7.6 kbar/600–672 °C. The calculated P-T conditions suggest Barrovian-type metamorphism with thermal gradients of 24.2 °C/km for the Central Qilian lower crust. We interpret a retro−/back-arc setting resulting from the southward subduction of the North Qilian oceanic lithosphere.

Paleoproterozoic ultrahigh‐temperature mafic granulites with a high‐pressure prograde path from the Alxa Block: Implications on the tectonic evolution of the Khondalite Belt, North China Craton

AbstractUltrahigh‐temperature (UHT) granulites, a prominent feature of Paleoproterozoic orogenic belts, preserve a record of geodynamic processes during the Precambrian (Archean–Paleoproterozoic). Quantitative pressure–temperature–time (P–T–t) paths of these UHT granulites can constrain the tectonic processes and metamorphic evolution in such a tectonic regime. Here, UHT mafic granulites with a high‐pressure (HP) prograde path are first reported in the Diebusige Complex in the Alxa Block, western part of the Khondalite Belt (KB), North China Craton (NCC). The detailed petrographic studies show that two mafic granulite samples preserve corona textures around relict garnet or garnet pseudomorphs (completely replaced by plagioclase), and a third mafic granulite sample has a relatively simple mineralogy with a granoblastic‐polygonal texture. These mafic granulites have similar peak (Tmax) assemblages of clinopyroxene + orthopyroxene + plagioclase + ilmenite ± garnet ± amphibole ± quartz + melt. Phase equilibrium modelling and Ti‐in‐amphibole and rare earth element (REE)‐based thermometries all constrain similar peak conditions of ~880–950°C/~8.5–10 kbar implying an ~100°C/kbar apparent geothermal gradient for these mafic granulites. Based on the corona textures or pseudomorphs of garnet and mineral assemblages, we identified a Pmax (~14 kbar) prograde stage before the Tmax stage. Thus, a clockwise P–T path with heating and decompression followed by near‐isobaric cooling (IBC) is recorded from these UHT mafic granulites. In addition, zircon and apatite SHRIMP or LA–ICP–MS U–Pb dating yields an age interval of ~1.81–1.7 Ga, which is interpreted as representing the cooling time from ~900–800°C to ~575°C at the middle‐upper crustal levels (&lt;25 km deep) for these mafic granulites, with an ~1.5–2.5°C/Myr cooling rate. The new P–T–t path of these rocks includes high‐pressure prograde, UHT peak, and slow cooling retrograde processes, which implicates a post‐collisional tectonic setting for UHT metamorphism in the KB and the processes of collision, exhumation, and cooling of the KB.

A record of Late Cretaceous to early Paleogene Insular terrane accretion within the northern Cordillera: Insights from monazite petrochronology across the Kluane Schist, southwest Yukon, Canada

The Kluane Schist is a metamorphosed package of siliciclastic and lesser calcareous rocks that lies between the inboard pericratonic Intermontane terranes and outboard Insular terranes of the North American Cordillera within Yukon, Canada. The metamorphic sequence of the Kluane Schist preserves a record of the tectono-thermal evolution and timing of Insular terrane accretion. Here we document the timing of metamorphism and deformation across the Kluane Schist using in situ laser ablation−inductively coupled plasma−mass spectrometry U-Th-Pb monazite petrochronology. Monazite-bearing samples collected across an inverted metamorphic sequence preserved in the northern regions of the Kluane Schist yield dates ranging from ca. 70 Ma to 55 Ma. Complementary phase equilibria modeling and thin section analysis indicate monazite grew between ∼450 °C and 3.0−3.5 kbar to ∼700−715 °C and 4.0−4.5 kbar, coeval with the development of the Kluane Schist’s inverted metamorphic sequence. Dating the four chemical zones preserved by monazite demonstrates its protracted growth during three distinct periods of garnet crystallization and breakdown, as well as coeval with melt generation. Our data illustrate that peak metamorphic conditions were reached at progressively younger ages with decreasing structural level within the Kluane Schist. Our results are consistent with Buchan-style metamorphism associated with the terminal accretion of the outboard Insular terranes and southwest-directed overriding of the inboard Yukon-Tanana terrane from ca. 70 Ma to 55 Ma. These findings are further congruous with a Late Cretaceous timing for the terminal accretion of the Insular terranes within southwest Yukon, facilitated by east-dipping subduction beneath a westward migrating North American continent.

Cold deep subduction of Indian continental crust and release of ultrahigh‐pressure fluid during initial exhumation: Insights from coesite‐bearing eclogite‐vein systems in Kaghan Valley, Pakistan

AbstractThe ultrahigh‐pressure (UHP) eclogites from the Kaghan Valley in Pakistan, which formed by the deep subduction of the Indian plate beneath the Asian plate in the Eocene, contain complex metamorphic vein systems (including both isolated veins and vein networks), with mineral assemblages of epidote + quartz + kyanite + phengite ± omphacite ± garnet. The investigations on the Kaghan UHP eclogite‐vein systems provide important insights into the mechanism and timing of metamorphic dehydration, fluid flow, and fluid–rock interaction in the deeply subducted Indian continental slab as well as the chemical characteristics of slab‐derived, aqueous fluids. Abundant lawsonite pseudomorphs, characterized by prismatic aggregates of epidote, kyanite, and quartz porphyroblasts, are first recognized in the Kaghan eclogites. This observation, in combination with the occurrence of coesite pseudomorphs in epidote porphyroblasts as well as the coexistence of epidote and coesite in the eclogite zircon, indicates the previous existence of UHP lawsonite in these eclogites. Petrological studies and phase equilibrium modelling reveal clockwise P–T trajectories for the Kaghan eclogites that are featured by prograde vectors in lawsonite‐stability regions with peak conditions of 3.0–3.4 GPa/650–690°C, followed by isothermal decompression and lawsonite breakdown under UHP conditions during the initial exhumation stage. The results of metamorphic evolution, together with in situ epidote and bulk Sr isotopic analyses, indicate that the fluids responsible for vein systems are most likely derived from the breakdown of UHP lawsonite in the eclogites. SIMS U–Pb dating of metamorphic zircons from the eclogites, integrated with the Raman analysis of inclusions in zircons, indicates that the UHP dehydration of eclogites occurred at 46.4 ± 1.2 and 46.8 ± 0.9 Ma. Analyses of hydrothermal zircons from the veins yielded slightly younger ages of 44.7 ± 1.0 and 44.9 ± 1.4 Ma, which represent the timing of fluid flow and/or vein crystallization during exhumation of the UHP rocks. Mass‐balance calculation results, in combination with the vein compositions, show that the fluid flow and fluid‐eclogite interaction led to the transfer of Si, Al, Ca, K, and incompatible trace elements from the eclogites into the fluids, from which the vein systems crystallized. This study indicates cold deep subduction of Indian continental crust along low geothermal gradients (6–7°C/km). The UHP fluid liberation and channelized fluid flow occurred during the initial exhumation of the cold Indian slab and are expected to induce the transfer of H2O and incompatible trace elements from the Indian slab to the Asian lithosphere, which potentially contributes to the formation of post‐collisional magmas. Moreover, we suggest that metamorphic vein systems in UHP lawsonite eclogites offer important constraints on the occurrence and timing of fast slab exhumation in continental subduction‐collision zones.

Paleoarchean metamorphism in the Acasta Gneiss Complex: Constraints from phase equilibrium modelling and in situ garnet Lu–Hf geochronology

AbstractThe oldest known evolved (felsic) rocks on Earth (c. 4.03 Ga) are found in the Acasta Gneiss Complex (AGC) in north‐western Canada and represent a fundamental keystone in unravelling the geological processes governing crustal growth and differentiation during the Hadean and early Archean. Although the timing of multiple episodes of magmatism, metamorphism and deformation in these tonalitic gneisses has been investigated extensively, the metamorphic pressure–temperature (P–T) conditions recorded by the rocks are poorly constrained. Here, we use phase equilibrium modelling coupled with in situ garnet Lu–Hf geochronology and trace element analysis for two garnet‐bearing tonalitic gneisses to decipher the metamorphic history of the AGC. The observed mineral assemblages are consistent with peak metamorphic conditions of T = 725–780°C and P = 4.5–6.2 kbar and the generation of a small amount of melt (&lt;7 vol.%). Garnet geochronology constrains the age of metamorphism to 3.3–3.2 Ga, consistent with previous evidence for a late Paleoarchean tectono‐metamorphic event in the AGC. Subsequent isotopic disturbance of garnet at c. 1.9 Ga is interpreted to correspond to a modification of the primary Lu–Hf systematics in response to garnet resorption/recrystallization during the Paleoproterozoic Wopmay orogeny, resulting in significant scatter between these two age components. Our study adds to the small number of published P–T data for metamorphic rocks older than 2.8 Ga and shows that tonalitic gneisses in the AGC record a high apparent thermal gradient of ~140°C/kbar in the late Paleoarchean. This thermal gradient is the highest among the limited dataset, but is broadly similar to data from other Paleoarchean‐Mesoarchean crustal rocks in recording high T/P ratios (&gt;77.5°C/kbar).

Crucial role of water-present melting in metagranite: Implications for the instigation of crustal-scale shear zones

Abstract Where, when, and why large-scale shear zones nucleate and propagate into the continental lithosphere are critical issues that challenge the research in tectonics. The East Variscan shear zone is one of the crustal-scale strike-slip faults that shaped the Variscan orogenic crust during late Carboniferous time. Field-based structural analysis and petrological observations demonstrate that suprasolidus high-strain deformation zones and metagranite occurrences are spatially correlated. Among the three dominant lithologies forming this orogenic middle crust (metapelite, metagraywacke, and metagranite), petrological observations and phase equilibrium modeling indicate that the latter is the first lithology that melts during collision-induced heating, in response to H2O-fluid-saturated melting. Our field data and modeling suggest that the water-fluxed melting of metagranite has a primary rheological control on the localization, instigation, and growth of crustal-scale shear zones in the middle crust. Thus, the distribution and geometry of metagranite at the crustal scale could be regarded as critical parameters influencing the rheological inheritance governing the tectonic evolution and localization of bulk strain in the continental lithosphere.

Assessing the accuracy of phase equilibrium software in reproducing the liquidus multiple saturation conditions of lunar and Martian basalt compositions

AbstractAccurate computational modeling allows the use of software as a first approach to some petrological problems that typically require experimentation, but most programs have not yet been fully tested for accuracy with lunar or Martian melt compositions. The programs pMELTS, MAGPOX, and Perple_X stand out for phase equilibrium modeling, as their calibrations include experiments of lunar compositions or have precise thermodynamic constraints for similar compositions. A set of lunar mare basalts, picritic glasses, and basaltic Martian compositions with known experimentally determined multiple saturation point (MSP) conditions were used here for phase equilibrium modeling. The accuracy of each program was tested through the determination of MSPs on the liquidus of the selected compositions. This point in pressure–temperature space can be considered as a direct proxy of the stable phases and the equilibrium conditions during partial melting of mantle sources. We identify a trend in experimental data between MSP temperature and MgO, CaO, and SiO2 concentrations, and similar trends are found in model results. However, only Perple_X is able to closely match the experimental data, despite the fact it does not accurately model ilmenite saturation for high‐Ti lunar basalts. We find that pMELTS miscalculates olivine saturation for MgO‐rich compositions and MAGPOX systematically underestimates MSP pressure and temperatures and can only be used when olivine is the liquidus phase. For modeling lunar or Martian basalt compositions, Perple_X can be used for optimal results, although no software is yet capable of bypassing the need to constrain MSP conditions through experimentation.

Ultra-deep (>5 GPa) subduction of paragneiss and metagranite in the Dabie UHP Terrane, central China: Constraints from zircon inclusions, phase equilibrium modelling and U-Pb geochronology

In the Dabie orogen, central China, the ultrahigh pressure metamorphism (UHPM) was best recorded from meta-mafic and ultramafic rocks occurring as lenses within voluminous amphibolite-facies metafelsic rocks. However, whether or not these metafelsic rocks experienced ultra-deep subduction (>5 GPa) has been rarely quantified because of the rare preservation of peak diagnostic assemblages. In this study, we reconstruct the P-T-t paths for paragneisses and metagranites from the Dabie region to better elucidate their metamorphic evolution based on detailed petrological, mineralogical and Raman micro-spectrometer analysis of zircon inclusion combined with conventional geothermobarometry, phase equilibrium modelling and U-Pb dating. At least three stages of metamorphic evolution are identified for these lithologies. The UHPM is represented by the assemblages of coesite + garnet Ia/Ib + jadeite + phengite + K-feldspar + aragonite for paragneiss and diamond + aragonite + magnesite + phengite + rutile + garnet for metagranite, respectively. The paragneiss experienced peak conditions of 4.5–6.0 GPa/690–720 °C, followed by a decompression heating to 3.5–4.6 GPa/750–850 °C. Also, the diamond + aragonite + magnesite inclusions in zircon from the metagranite provide the first direct mineralogical evidences for ultra-deep subduction. Furthermore, the minimum peak pressure was defined at 5.4 GPa based on pseudosection for metagranite. As a result, this study provides the first mineralogical and modelling evidences of ultra-deep subduction for the metafelsic rocks in the Dabie orogen. The dating results suggest that the UHPM, anatexis and amphibolite-facies overprint occurred at 236 ± 3 Ma, 226 ± 1 Ma and 195 ± 4 Ma, respectively. The estimated average exhumation rate is 5.8–7.2 km/Ma from peak UHP to amphibolite-facies stages. Moreover, a comparison of different collisional orogens suggests that the preservation of UHP minerals in metafelsic rocks strongly depends on exhumation rate.

PHYSICAL-CHEMICAL MODELING AND INVESTIGATION OF THE “HIGH-ENTROPY METAL MATRIX / TiC” SYSTEM COMPONENTS INTERACTION

The research carried out is aimed at developing the scientific basis for obtaining new composite materials based on high-entropy alloys, as well as developing the basic principles of processing and operation of such materials. It was necessary to conduct a theoretical and experimental study of the physical-chemical processes occurring during the interaction of high-entropy alloys with reinforcing TiC particles, as well as to study the effect of temperature and composition of interacting phases on the interaction process and its results. Thermodynamic and kinetic modeling of the interaction processes of the matrix components of high-entropy alloys based on the Cantor alloy (FeCoCrNiMn), including titanium and carbon with the formation of titanium carbide was carried out. Modern modeling approaches were used, which makes it possible to implement modern software. In particular, thermodynamic modeling using methods developed within the framework of the Calphad approach was carried out. Thermo-Calc software (includingTC-PRISMA kinetic modeling software) and FactSage software were used in the research process. An experimental study of the composition and structure of samples of TiC-reinforced metal matrix materials (using electron microscopy, X-ray spectral microanalysis and XRD) was also carried out. The distribution of various elements in the microstructure of materials and their phase composition were investigated. Comparison of the simulation results with experimental data allowed to make conclusions about the qualitative adequacy of thermodynamic and kinetic models of phase equilibria and phase transformations occurring during the formation, possible heat treatment and operation of TiC-reinforced metal matrix materials at high temperatures to the observed experimental data.

Method for determining estimates of random variable models for describing phase equilibrium in rectification processes

The phase equilibrium modeling for multi-component systems is essential in process systems engineering. In particular, phase stability analysis, Gibbs free energy minimization and estimation of parameters in thermodynamic models are challenging global optimization problems involved in phase equilibrium calculations and modeling for both reactive and non-reactive systems. To date, many significant works have been performed in the area of global optimization, and several algorithms and computational contributions of global optimization have been used for solving these problems; global optimization methods used include both deterministic and stochastic algorithms. To the best of our knowledge, there is no review in the literature that focuses on the global optimization methods and their applications to phase equilibrium modeling and calculations. In this paper, we briefly describe the deterministic and stochastic optimization algorithms selected for our rectification process, and then consider their use for phase stability analysis, Gibbs free energy minimization, and parameter estimation in phase equilibrium models. In short, we present an overview of global optimization for modeling and computing the phase behavior of systems with and without chemical reactions, including the prediction of azeotropes and critical points.