High-pressure Crystallization Research Articles

Complete analysis of dislocations in single crystal diamonds

In this study, we applied dislocation analysis to X-ray topography images to identify the complete dislocation information for two typical high-pressure high-temperature diamond crystals, IIa and Ib. Almost all dislocation line vectors of both crystals were identified for the first time. For IIa crystal, it was confirmed that up to 84% of the dislocations have 〈101〉 vectors. For Ib crystal, up to 71% of the dislocations have 〈112〉, 〈121〉, and 〈211〉 vectors. Both [110] and [1-10] with zero components of the c-axis are the major Burgers vectors. Regarding the types of dislocation, the major types were edge types, which were approximately 47% and 65% for IIa and Ib crystals, respectively. In addition, screw, 60° and 73° type on the IIa, and 30°, 35°, and 73° type on Ib were identified. Complete analysis of dislocations will give important information for the diamond growth and reduction of the dislocations.

Making Andesites and the Continental Crust: Mind the Step When Wet

ABSTRACT Andesites are iconic of subduction zone magmatism. Yet intermediate magmas (57–66 wt % SiO2) are less abundant than generally thought in arc settings. A comparison of experimental hydrous liquid lines of descent, melt inclusions and bulk-rock compositions demonstrates the importance of polybaric crystallization–differentiation in producing the compositional range and dictating the relative abundance of arc melts, but also highlights the preponderant role of mixing (sensu lato) in producing andesitic magmas. Based on their P2O5 contents, at least 74% of the arc magmas with around 64 wt % SiO2 are inferred to be mixing products. In addition to their surprisingly low abundance, andesitic melt inclusions are characterized by relatively low H2O, Al2O3, ± Na2O contents compared to the ranges measured in mafic and silicic melt inclusions. These compositional characteristics suggest that there is a sweet spot for the production of andesitic melts delimited by the low-pressure stability limit of amphibole (<150 MPa) and the adiabatic ascent path of mafic melts, but that this low-pressure differentiation pathway plays a minor role in the production of silicic arc magmas that principally form along high-pressure hydrous liquid line of descents (>700 MPa) before decompression. The compositional bimodality recorded by the melt inclusions and in well-preserved intra-oceanic arc crustal sections is a fundamental characteristic of differentiation in transcrustal arc magmatic systems, with important consequences for the chemical evolution of the continental crust. We propose that the overall bimodality shown by arc melts does not relate to a compositional gap in the differentiation mechanisms but results from a combination of (1) the disparity in volume of differentiated magmas produced by low and high-pressure crystallization–differentiation and (2) the strong nonlinearity of the high-pressure liquid lines of descent in composition–temperature–crystallinity space related to crystallization of amphibole-rich assemblages. In this context, the compositional characteristics shared by andesitic magmas and the continental crust principally depict the central role of mixing and mass balance processes in producing andesitic compositions. The step in differentiation efficiency encountered by hydrous magmas entering the amphibole stability field at high pressure plays an important role in defining the silicic component involved in these scenarios.

Hydroxypropyl-β-cyclodextrin Enhances Oral Absorption of Silymarin Nanoparticles Prepared Using PureNano™ Continuous Crystallizer.

The oral bioavailability of drugs is limited by factors such as poor membrane permeability, low solubility, and low dissolution rate. Silymarin (SLM) is a health-food active ingredient that is good for immunosuppression and tumor suppression. However, obtaining a good oral bioavailability is difficult owing to its poor solubility and low dissolution ability. To overcome these concerns, we previously prepared SLM nanoparticles (NPs) using the high-pressure crystallization method (PureNanoTM) and freeze-dried them with erythritol (Ery) or hydroxypropyl-β-CyD (HP-β-CyD) as a water-soluble dispersion stabilizer. In the present study, we investigated the mechanism underlying the improved absorption of SLM/hypromellose (HPMC)/HP-β-CyD NPs after oral administration. The SLM/HPMC nano-suspension prepared using PureNanoTM exhibited a narrow size distribution. The size of the SLM/HPMC/HP-β-CyD NPs was approximately 250 nm after hydration. The SLM/HPMC/HP-β-CyD NPs were rapidly dissolved, and demonstrated a high solubility under supersaturated conditions. Additionally, they exhibited good wettability and their membrane permeability was improved compared with that of SLM original powder. These results suggest that the formulation of SLM NPs using PureNanoTM and freeze-drying with HP-β-CyD improves the absorption of SLM after oral administration by enhancing solubility, wettability, and membrane permeability.

Sublithosphere Mantle Crystallization and Immiscible Sulfide Melt Segregation in Continental Basalt Magmatism: Evidence from Clinopyroxene Megacrysts in the Cenozoic Basalts of Eastern China

AbstractThis study explores the effects of high-pressure crystallization and immiscible sulfide melt segregation under mantle conditions on the compositional variation of basaltic magmas, using clinopyroxene megacrysts in the Cenozoic basalts of eastern China. These clinopyroxene megacrysts are large (up to >10 cm in size) and homogeneous at the grain scale. They were crystallized from variably evolved parental magmas and then captured by their host basalts. The large and systematic variations of [Sm/Yb]N, Lu/Hf, Fe/Mn, Sc/La, Ni and Cu with Mg# in the clinopyroxene megacrysts suggest their co-precipitation with garnet and with immiscibility between sulfide and silicate melts. This is consistent with the appearance of garnet megacrysts in the host basalts and abundant sulfide globules in the clinopyroxene megacrysts. The covariation between Ni contents of sulfide globules and Mg# of the clinopyroxene megacrysts suggests a genetic relationship between sulfide globules and clinopyroxene megacrysts. High-pressure crystallization of clinopyroxene and garnet results in decrease of Mg# and concentrations of CaO, MnO and heavy rare earth elements (e.g. Yb) and increase of Fe/Mn and [Sm/Yb]N in the residual melts. Therefore, geochemical characteristics of low Mg#, low CaO and MnO contents and high Fe/Mn and [Sm/Yb]N in basalts do not necessarily indicate a pyroxenite mantle source. In addition, caution is needed when applying the olivine addition method to infer the primary compositions of alkali basalts without considering the effects of high-pressure crystallization of clinopyroxene and garnet. The calculated pressure (P) and temperature (T) conditions of the clinopyroxene megacrysts are close to those of the lithosphere–asthenosphere boundary (LAB) beneath eastern China, and the low primitive [Sm/Yb]N (~4.0) of melts parental to the clinopyroxene megacrysts suggests final equilibration at relatively low pressures most likely beneath the LAB. Hence, a melt-rich layer is expected close beneath the LAB. Melt pools in this melt-rich layer provide a stable and closed environment for the growth of compositionally homogeneous clinopyroxene megacrysts. As a result, melts in these melt pools are compositionally evolved with low and variable Mg#. Subsequent pulses of melt aggregation/supply from depths with primitive compositions and high Mg# will disturb these melt pools, cause magma mixing and trigger the eruption of magmas carrying clinopyroxene and garnet megacrysts.

Stochastic hydration of a high-nitro-gen-content molecular compound recrystallized under pressure.

Partial hydration of organic compounds can be achieved by high-pressure crystallization. This has been demonstrated for the high-nitro-gen-content compound 6-chloro-1,2,3,4-tetrazolo[1,5-b]pyridazine (C4H2N5Cl), which becomes partly hydrated by isochoric crystallizations below 0.15 GPa. This hydrate, C4H2N5Cl·xH2O, is isostructural with the ambient-pressure phase α of C4H2N5Cl, but the crystal volume is somewhat larger than that of the anhydrate. At 0.20 GPa, the α-C4H2N5Cl anhydrate phase transforms abruptly into a new higher-symmetry phase, α'; the transformation is clearly visible due to a strong contraction of the crystals. The hydrate α-C4H2N5Cl·xH2O can also be isothermally compressed up to 0.30 GPa before transforming to the α'-C4H2N5Cl·xH2O phase. The isochoric recrystallization of C4H2N5Cl above 0.18 GPa yields a new anhydrous phase β, which, on releasing pressure, transforms back to the α phase below 0.15 GPa. The structural transition from the α to the β phase is destructive for the single crystal and involves a large volume drop and significant elongation of all the shortest intermolecular distances which are the CH⋯N and CH⋯Cl hydrogen bonds, as well as the N⋯N contacts. The α-to-α' phase transition increases the crystal symmetry in the subgroup relation; however, there are no structural nor symmetry relations between phases α and β.

Evidence for polybaric fractional crystallization in a continental arc: Hidden Lakes mafic complex, Sierra Nevada batholith, California

Although the voluminous granitoids that constitute the upper crust of the Sierra Nevada batholith (California) have been investigated in detail, comparatively few studies focus on the origin of mafic bodies at similar crustal levels. Here, we present field and petrographic observations, geochronology, and geochemistry of the Hidden Lakes mafic complex in the central-eastern Sierra Nevada batholith. Our results show that the complex comprises norites, gabbros, monzondiorites, and monzonites that record fractional crystallization of a hydrous (~ 3 wt% H2O), non-primitive basalt within the upper crust (0.3 GPa) at c. 95–96 Ma. To quantitatively model the generation of the observed lithologies, we construct a two-stage polybaric crystallization model based on cumulate and melt-like bulk-rock compositions. In the first step, we model fractionation of a primitive, mantle-derived basalt at > 30 km depth, generating dominantly pyroxenite cumulates. The evolution of the derivative melt (67% of melt mass remaining) is then modeled to fractionate at 12 km depth to produce the observed lithologies within the Hidden Lakes mafic complex. Extension of this model to higher-silica melt compositions (> 65 wt% SiO2) replicates observed granodiorite compositions in the batholith, suggesting that polybaric crystallization could be an important process for the generation of arc granitoid melts. The depth of differentiation in continental arcs is debated, as field observations indicate abundant lower crustal fractionation while experimental data suggest that high-pressure crystallization of hydrous basalts cannot produce the non-peraluminous granitoid compositions observed in continental arc batholiths. Our model supports polybaric differentiation as one potential mechanism to resolve this inconsistency.

High-Pressure crystallization of binary unsaturated fatty acids in cylindrical cell

The separation of the binary unsaturated fatty acids C18:1 + C18:2 system was examined by high-pressure crystallization at 298 K (25 °C). The binary fatty acid mixture containing 0.8 mol fraction of C18:1 was packed in the glass cell with a free piston, and then pressurized by an aqueous ethanol solution around the glass cell up to 200 MPa. The complete solid mixture was obtained after cooling at 253 K (- 20 °C) as a depressurized binary solid. The solid was divided into four parts, and the composition of C18:1 was analyzed at each part of the solid using a refractometer, which revealed there was a composition distribution throughout the solid with C18:1 crystallized one-directionally from the top to the bottom of the cell. High-pressure crystallization could be effective for the separation of binary fatty acids.

Multiphase solid inclusions reveal the origin and fate of carbonate-silicate melts in metasomatised peridotite

Orogenic peridotite in ultrahigh-pressure ultrahigh-temperature terranes provides increasingly strong evidence of material transfer in a subduction-zone setting, causing the metasomatism and melting of mantle rocks. Multiphase solid inclusions (MSI) trapped in garnet can provide clues to these processes occurring at great depth. The MSI enclosed in garnet in pyroxenite, lherzolite and harzburgite from a drillcore in the Saxothuringian basement in the Variscan Bohemian Massif are dominated by hornblende, barian mica and carbonate (dolomite and magnesite), and they contain a large variety of other phases, including spinel, clinopyroxene, orthopyroxene, garnet II, apatite, monazite, thorianite, graphite, norsethite and barian feldspar, scheelite and sulfides (e.g., pentlandite). We demonstrate, that the bulk chemical composition of the MSI evolves from the MSI trapped in garnet pyroxenite, which was the source of the metasomatising liquids, to the MSI in the host peridotite. Garnet pyroxenite has a carbonate-silicate composition comparable to kimberlite, and represents a rare example of a low-degree supercritical melt derived from a mixed crust-mantle source frozen in the mantle. Its high-pressure fractional crystallization produced a residual melt, enriched in alkalies (Na, K), highly incompatible elements (LILE – Ba, Sr; Th, U), LREE, Ti, W and volatiles (CO2, Cl, F, P), which is now trapped in the MSI in pyroxenite garnet. The MSI in peridotite reflect changes in the physical and chemical characteristics of the metasomatising medium during its reactive infiltration into peridotite through silicate crystallization and interaction with mantle minerals reflecting the type of rock (lherzolite vs. harzburgite). A change from a more silicic, solute-rich melt to a more diluted carbonate-rich liquid gradually enriched in LILE (K, Ba) and volatiles (CO2, Cl) and LREE fractionation with an increasing degree of fluid evolution coincides with the evolution of kimberlitic melts to carbonatitic melts. The low-viscosity carbonate-rich liquids can migrate far and metasomatise a considerable volume of the rock. Our work demonstrates that the MSI trapped in garnet represent a unique tool to trace the chemical and physical characteristics of the liquids that metasomatise the mantle wedge and their evolution.

A unified model of anisotropy, thermoelasticity, inelasticity, phase transition and reaction for high-pressure ramp-loaded RDX single crystal

A unified thermomechanical consistent model integrating multiple mechanisms, including material anisotropy, nonlinear thermoelasticity, inelasticity, phase transition , and chemical reaction, is developed for cyclotrimethylene trinitramine (RDX) crystal under high-pressure ramp-loading. (i) The nonlinear thermoelasticity of material is described by pressure-temperature-dependent elasticity tensor and a free-energy based complete equation of state. (ii) The cracking-mediated brittle damage on eleven cleavage planes and dislocation-mediated ductile plasticity on thirteen slip systems are considered in inelastic deformation. (iii) The phase transition kinetics is dependent on a thermodynamic consistent driving force. (iv) The chemical reaction is described by a reactive flow model integrating equations of state for solid reactants and gaseous products, Arrhenius-type reaction rate model and mixed rule. The proposed model is utilized to simulate the mechanical-thermal-chemical responses of (100) and (010) oriented ramp-loaded RDX crystals at pressure up to ~33GPa. The simulated results are well in agreement with the experimental data and reveal a four-wave structure (elastic-inelastic-phase transition-reaction wave) hidden behind the pressure wave profiles. Crack and dislocation activities on (110) and (1-10) crystal planes play a dominant role in macroscopic inelasticity of (100) oriented RDX. Compared to (100) oriented RDX, the (010) oriented RDX exhibits a higher α→γ phase transition criterion and a faster chemical reaction, which is associated with the different overall heating rate and thermomechanical state.

Relating phase transitions to pore size distributions and mechanical mortar properties in CSA-OPC-C$ based systems – The potential impact of delayed straetlingite formation

The scope of this research is to investigate the performance evolution of five ternary CSA-OPC-Cs systems. Time resolved thermodynamic modeling was employed to gain insight into changes in the volume fractions of the hydrating pastes and link these changes to trends in the pore size distributions of the mortars. Pore solution analyses were performed to investigate which hydrates have the potential to exert high crystallization pressures. In three out of five blends the resulting tensile stress exceeded the tensile strength of the materials, resulting in the occurrence of coarse pores, which could be linked to the measured compressive strengths. Two damaging crystallization processes were identified in the investigated blends. One is the continuous precipitation of ettringite at high supersaturation in a system with high anhydrite addition. The other is the delayed crystallization of straetlingite at high supersaturation and crystallization pressure in the confined environment of mature pastes.

Incorporation of tetrahedral ferric iron into hydrous ringwoodite

Abstract Hydrous Fo91 ringwoodite crystals were synthesized at 20 GPa and high-temperature conditions using a multi-anvil press. Recovered crystals were analyzed using electron microprobe analysis, Raman spectroscopy, infrared spectroscopy, synchrotron Mössbauer spectroscopy, single-crystal X-ray diffraction, and single-crystal Laue neutron diffraction, to carefully characterize the chemistry and crystallography of the samples. Analysis of the combined data sets provides evidence for the presence of tetrahedrally coordinated ferric iron and multiple hydrogen incorporation mechanisms within these blue-colored iron-bearing ringwoodite crystals. Tetrahedral ferric iron is coupled with cation disorder of silicon onto the octahedrally coordinated site. Cation disorder in mantle ringwoodite minerals may be promoted in the presence of water, which could have implications for current models of seismic velocities within the transition zone. Additionally, the presence of tetrahedrally coordinated ferric iron may cause the blue color of many ringwoodite and other high-pressure crystals.

The Petrology of the Tarosero Volcanic Complex: Constraints on the Formation of Extrusive Agpaitic Rocks

Abstract The Quaternary Tarosero volcano is situated in the East African Rift of northern Tanzania and mainly consists of trachyte lavas and some trachytic tuffs. In addition, there are minor occurrences of extrusive basalts, andesites and latites, as well as peralkaline trachytes, olivine trachytes and phonolites. Some of the peralkaline phonolites contain interstitial eudialyte, making Tarosero one of the few known occurrences for extrusive agpaitic rocks. This study investigates the genetic relationships between the various rock types and focuses on the peculiar formation conditions of the extrusive agpaitic rocks using a combination of whole-rock geochemistry, mineral chemistry, petrography, thermodynamic calculations, and major and trace element modelling. The Tarosero rocks formed at redox conditions around or below the fayalite–magnetite–quartz buffer (FMQ). During multi-level magmatic fractionation at depths between ∼40 km and the shallow crust, temperature decreased from >1100 °C at near-liquidus conditions in the basalts to ∼700 °C in the peralkaline residue. Fractional crystallization models and trace element characteristics do not indicate a simple genetic relationship between the trachytes and the other rock types at Tarosero. However, the genetic relationships between the primitive basalts and the intermediate latites can be explained by high-pressure fractional crystallization of olivine + clinopyroxene + magnetite + plagioclase + apatite. Further fractionation of these mineral phases in addition to amphibole and minor ilmenite led to the evolution towards the peralkaline trachytes and phonolites. The eudialyte-bearing varieties of the peralkaline phonolites required additional low-pressure fractionation of alkali feldspar and minor magnetite, amphibole and apatite. In contrast to the peralkaline trachytes and phonolites, the peralkaline olivine trachytes contain olivine instead of amphibole, thus indicating a magma evolution at even lower pressure conditions. They can be modelled as a derivation from the latites by fractional crystallization of plagioclase, clinopyroxene, magnetite and olivine. In general, agpaitic magmas evolve under closed-system conditions, which impede the escape of volatile phases. In the case of the extrusive agpaitic rocks at Tarosero, the early exsolution of fluids and halogens was prevented by a low water activity. This resulted in high concentrations of rare earth elements (REE) and other high field strength elements (HFSE) and the formation of eudialyte in the most evolved peralkaline phonolites. Within the peralkaline rock suite, the peralkaline olivine trachytes contain the lowest HFSE and REE concentrations, consistent with mineralogical evidence for formation at a relatively high water activity. The lack of amphibole fractionation, which can act as a water buffer of the melt, as well as the evolution at relatively low-pressure conditions caused the early exsolution of fluids and loss of water-soluble elements. This prevented a strong enrichment of HFSE and REE before the magma was finally extruded.

Second-Generation Highly Cross-Linked Polyethylene in Total Hip Arthroplasty.

» Bearing materials that are used in total hip arthroplasty have undergone major developments in structure and durability since the 1960s.» Osteolysis and aseptic loosening associated with ultra-high molecular weight polyethylene had been a major concern; this led to the development of the first generation of highly cross-linked polyethylene (HXLPE), which was followed by a second generation of HXLPE.» The second generation of HXLPE was introduced with the aim of providing oxidative stability while maintaining high wear resistance.» Oxidative stabilization methods include mechanical deformation and annealing, incorporation of antioxidant-containing materials, high-pressure crystallization after melting, and polyethylene surface-grafting with a biocompatible polymer.» Results of clinical studies with ≤5 years of follow-up have shown that second-generation HXLPE acetabular liners are superior to any of the previous generation with regard to wear rates; however, additional studies are needed to compare second-generation materials among each other.

Origin of the primitive, strongly SiO2-undersaturated alkalic rocks from the Deccan Traps by low-degree mantle melting and high-pressure fractional crystallization

Strongly SiO2-undersaturated alkalic rocks (Mg# > 50, SiO2 ≤ 45 wt%, Na2O + K2O ≥ 3 wt%) occur in three early-stage (Sarnu-Dandali, Mundwara, Bhuj) and one late-stage (Murud-Janjira) rift-associated volcanic complexes in the Cretaceous-Paleogene Deccan Traps flood basalt province of India. Thermobarometry based on clinopyroxene-liquid equilibrium suggests that they mostly crystallized beneath the Moho at ~ 15 kbar/1270 °C to ~ 11–12 kbar/1115–1156 °C pressures and temperatures. Primary magma compositions in equilibrium with lherzolite were estimated through reverse fractionation calculations by incrementally adding equilibrium phases to the rocks in olivine:clinopyroxene:spinel:phlogopite = 12:68:20:15 proportions at low temperatures followed by olivine:clinopyroxene:spinel = 12:68:20 proportions at higher temperatures. A comparison of the primary magmas with experimentally generated melts shows that their compositions are consistent with an origin from garnet lherzolite sources with < 1 wt% H2O and CO2. Hornblendite, pyroxenite (except for some Bhuj rocks) and carbonated eclogite are unlikely sources for the Deccan alkalic rocks. The Sarnu-Dandali and Bhuj alkalic rocks and the Murud-Janjira lamprophyres probably originated by < 5% melting of ~ 1.3 times Ti-enriched lherzolitic sources compared to primitive mantle. The primary magmas of the Murud-Janjira basanites calculated through reverse assimilation-fractional crystallization by assimilating lower crustal and mantle xenoliths found in younger lamprophyre dikes of the same area indicate that contamination by the Indian lithosphere was unlikely during their ascent. The basanites evolved by mixing with phonotephritic melts, and they probably originated from a Ti-poor (0.7 times) lherzolite source. The temperature of the melts at the base of the lithosphere was ~ 1325 °C beneath Sarnu-Dandali and ~ 1285 °C beneath Bhuj and Murud-Janjira.

High-Pressure Crystallization of iPP Nucleated with 1,3:2,4-bis(3,4-dimethylbenzylidene)sorbitol.

1,3:2,4-bis(3,4-dimethylbenzylidene)sorbitol (DMDBS) is highly effective in nucleation of the α- form of isotactic polypropylene (iPP). However, its role in high-pressure crystallization of iPP, facilitating the formation of the γ- polymorph, has not been explored. The present paper focuses on the influence of DMDBS on nucleation of high-pressure crystallization of iPP. iPP with 0.2–1.0 wt.% of the DMDBS was crystallized under elevated pressure, up to 300 MPa, in various thermal conditions, and then analyzed by PLM, WAXD, SEM, and DSC. During cooling, crystallization temperatures (Tc) were determined. It was found that under high-pressure DMDBS nucleated crystallization of iPP in the orthorhombic γ- form. As a consequence, Tc and the γ- form content increased for the nucleated iPP, while the size of polycrystalline aggregates decreased, although the effects depended on DMDBS content. The significant increase of Tc and the decrease of grain size under high pressure of 200–300 MPa required higher content of DMDBS than the nucleation of the α-form under lower pressure, possibly due to the effect of pressure on crystallization of DMDBS itself, which is a prerequisite for its nucleating activity.

Expecting the unexpected: high pressure crystallization significantly boosts up triboelectric outputs of microbial polyesters

Polyhydroxybutyrate (PHB) with special wrinkled spherulites enables significant improvement in triboelectric outputs of the microbial polyester.

Evolution of continental arc at root caused by igneous garnet and amphibole fractionation: Evidence from Jurassic intermediate–felsic intrusive rocks in southern Qiangtang, Tibet

Jurassic continental arc magmatism occurred widely across the southern Qiangtang Terrane, and provides an opportunity to study how continental arc magmas evolve towards intermediate–felsic compositions. We present new LA–ICP–MS zircon U–Pb ages, whole-rock major and trace element compositions, and Sr–Nd and in-situ zircon Hf isotope data for late Jurassic intermediate–felsic intrusive rocks from the Rena Co area of southern Qiangtang, central Tibet. Jurassic intrusive rocks in this area consist mainly of granodiorite, diorite, and related gabbro–diorite mafic enclaves, which have been dated at 153.1–147.6Ma. Combining our data with previous results shows that continental arc magmatism in the southern Qiangtang Terrane has relatively homogeneous Sr–Nd isotopic compositions, with (87Sr/86Sr)i ratios of 0.7069–0.7092 and εNd(t) values of −6.3 to −2.2. Assuming that the hot, hydrous, basaltic melt generated by the subduction of the oceanic slab has a composition similar to island arc basalts, mixing ~50% basaltic magma with ~50% lower crustal material can produce the Sr–Nd isotopic compositions of the Rena Co intrusive rocks. The southern Qiangtang arc magmatism also has similar Hf isotopic compositions, albeit with a large range of εHf(t) values (−10 to +3). The different Rena Co intrusive rocks have different geochemical characteristics, including major element and rare earth element (REE) contents, Mg#, and evolutionary trends on Harker diagrams. This suggests that these arc rocks were derived from a common parent magma, but experienced different magmatic processes. The diorites were derived from primitive arc magma through amphibole-dominated low-pressure fractional crystallization, whereas the granodiorites underwent garnet-dominated, high-pressure fractional crystallization in secondary magma chambers. Fractionation of igneous garnet and amphibole played a significant role in the evolution of the continental arc, and was likely an important mechanism in driving the continental arc towards silica-rich compositions. The fractionation of igneous garnet and amphibole possibly changes the Mg# and Nb/Ta ratios of the derivative magmas.

Neural Networks Accelerate the Ab Initio Prediction of Solid–Solid Phase Transitions at High Pressures

High-level ab initio chemical calculations, such as second-order Møller-Plesset perturbation (MP2), are highly accurate but time-consuming, making it inefficient to apply to macromolecular systems. Here, we propose a newly efficient approach based on the neural network and fragment method to predict the Gibbs free energy, structural characteristics, and thus phase transition of solid crystal structures. The proposed approach has the same prediction accuracy as the MP2 calculation but is hundreds of times faster than the MP2. The predicted structures and phase transitions of two selected ice phases (IX and XV) under extreme conditions are in excellent agreement with the MP2 calculations and experimental results but with an extremely low computational cost. It not only predicts the high-pressure structures and phase diagrams of solid systems accurately and efficiently but also solves the problem of extreme calculation cost during a high-precision theoretical study on high-pressure molecular crystals with potentially essential applications.

Constraints from geochemistry, zircon U-Pb geochronology and Hf-Nd isotopic compositions on the origin of Cenozoic volcanic rocks from central Urumieh-Dokhtar magmatic arc, Iran

Considerable debate persists regarding the petrogenesis of high-alumina basalts (HAB) which are purported to occur exclusively in subduction zones. Major and trace element, mineral chemistry, whole-rock Sr-Nd-Hf-isotopes and zircon U-Pb age data are reported for the Cenozoic Eshtehard HABs, in order to constrain the nature of mantle beneath the central Urumieh-Dokhtar magmatic arc, and further investigate the mechanism of HABs generation. Eshtehard HABs, chemically akin to those from continental arcs, include basaltic, basaltic andesite, andesitic and dacitic rocks. U-Pb geochronology of zircon yield ages of 47.2 ± 0.6 Ma, 43.9 ± 0.3, and 40.9 ± 0.5 to 39.4 ± 0.9 for basaltic, andesitic and dacitic samples, respectively. Basaltic andesitic dikes intruded into dacitic hosts yield age of ca. 20–18 Ma. εHf(t) values for Eocene zircons display a range variable from −6.4 to +6.5. Miocene zircons have higher εHf(t), ranging between −1.8 and +10.7. The studied rocks are characterized by enrichment in incompatible trace elements and have relatively homogeneous Sr-Nd isotopes. Integrated studies indicate that Eshtehard HABs were derived from the hydrated, dominantly depleted shallow asthenospheric mantle wedge (and possibly also in the lower lithosphere) overlying subducted oceanic lithosphere. Traversing lithospheric mantle and Cadomian crust, and assimilating crustal material while fractionating plagioclase, high-Ca pyroxene, magnetite, and amphibole, the primary melt formed Eshtehard high-alumina, low-Mg# basalts. We hypothesize that ponding of hydrous magma at the base of the crust allowed for further crustal assimilation and fractionation of Ca-pyroxene and magnetite without plagioclase and zircon nucleation; then, ascending magmas through the crust led to crystallization of plagioclase and eventually zircon. We suggest comparatively high water content (rather than high crystallization pressure), up to 4% sediment melt and less than 10% of continental crust materials were involved, as subordinate components, in the petrogenesis of Eshtehard HABs.

Genesis of “silicate exsolution lamellae” in chromite of the Stillwater Complex: A challenge to the high-pressure crystallization of ophiolitic chromitite

Models for deep derivation of ophiolitic chromite from the mantle transition zone versus magmatic crystallization at lithospheric level are now highly controversial due to the discovery of ultrahigh-pressure (UHP) and super-reduced (SuR) minerals in ophiolitic chromitites and the presence of silicate mineral exsolution lamellae in chromite grains. According to experimental studies, chromite grains crystallized at low-pressures cannot exsolve silicate phases because of their low contents of CaO and SiO2. However, clinopyroxene needles in chromite grains from the Stillwater Complex, which is a typical layered mafic-ultramafic intrusion crystallized at crustal level, show morphological, compositional and crystallographic features very similar to exsolution lamellae in ophiolitic chromite grains. We propose that the Stillwater clinopyroxene ‘lamellae’ represent minute melt inclusions that were attached parallel to branches of skeletal chromite where they were trapped during continued growth of the grain. This interpretation is supported by the orientations of the lamella-like clinopyroxene and the coexistence of larger clinopyroxene inclusions and apatite crystals along with the clinopyroxene needles. Another possibility is that these lamella-like minerals precipitated from melt/fluid that filled cracks in the chromite grains. Trails of tiny inclusions preserved in some healed fractures are consistent with this mechanism, but are inconsistent with the regular orientations of most of the needle-like ‘inclusions’. The presence of such features in the Stillwater chromitites raises serious questions regarding the origin and significance of silicate lamellae in ophiolitic chromite grains and the use of such features to determine the depth of crystallization.