Ultrahigh-temperature granulite-facies metamorphism and exhumation of deep crust in a migmatite dome during late- to post- orogenic collapse and extension in the central Adirondack Highlands (New York, USA)

This study combines field observations, mineral and whole-rock geochemistry, phase equilibrium modeling, and U-Pb sensitive high-resolution ion microprobe (SHRIMP) zircon geochronology to investigate sillimanite-bearing felsic migmatites exposed on Ledge Mountain in the central Adirondack Highlands (New York, USA), part of an extensive belt of mid-crustal rocks comprising the hinterland of the Mesoproterozoic Grenville orogen. Phase equilibrium modeling suggests minimum peak metamorphic conditions of 960–1025 °C and 11–12.5 kbar during the Ottawan orogeny—significantly higher pressure-temperature conditions than previously determined—followed by a period of near-isothermal decompression, then isobaric cooling. Petrography reveals abundant melt-related microstructures, and pseudosection models show the presence of at least ~15%–30% melt during buoyancy-driven exhumation and decompression. New zircon data document late Ottawan (re)crystallization at ca. 1047 ± 5 to 1035 ± 2 Ma following ultrahigh-temperature (UHT) metamorphism and anatexis on the retrograde cooling path. Inherited zircon cores give a mean date of 1136 ± 5 Ma, which suggests derivation of these felsic granulites by partial melting of older igneous rocks. The ferroan, anhydrous character of the granulites is similar to that of the ca. 1050 Ma Lyon Mountain Granite and consistent with origin in a late- to post-Ottawan extensional environment. We present a model for development of a late Ottawan migmatitic gneiss dome in the central Adirondacks that exhumed deep crustal rocks including the Snowy Mountain and Oregon anorthosite massifs with UHT Ledge Mountain migmatites. Recognition of deep crustal meta-plutonic rocks recording UHT metamorphism in a migmatite gneiss dome has significant implications for crustal behavior in this formerly thickened orogen.

Stock-constrained truss design exploration through combinatorial equilibrium modeling

Reusing structural components has potential to reduce environmental impacts of building structures because it reduces new material use, energy consumption, and waste. When designing structures through reuse, available element characteristics become a design input. This paper presents a new computational workflow to design structures made of reused and new elements. The workflow combines Combinatorial Equilibrium Modeling, efficient Best-Fit heuristics, and Life Cycle Assessment to explore different design options in a user-interactive way and with almost real-time feedback. The method applicability is demonstrated by a realistic case study. Results show that structures combining reused and new elements have a significantly lower environmental impact than solutions made of new material only.

Thermochemical Equilibrium Modeling Indicates That Hg Minerals Are Unlikely to Be the Source of the Emissivity Signal on the Highlands of Venus

Several of the highlands of Venus exhibit unexpectedly low radar emissivity compared to that of the lowlands. The source has been hypothesized to be a mineral with a high dielectric constant. Recently HgTe (coloradoite) has been suggested to explain the low emissivity signal; however, little research has been completed to verify its stability on Venus. In this project, we used a Gibbs free energy minimization software to investigate whether HgTe, as well as HgS and HgSe, can form at simulated highland conditions. According to our calculations, approximately 1.3 wt% of mercury in the crust needs to be outgassed in order for HgS to be stable at 4 km in altitude. In addition, approximately 250 ppb of tellurium in the crust needs to be outgassed for HgTe to precipitate at the same altitude. The required mercury abundance for HgSe to be stable at this altitude is less, approximately 0.6 wt%; however, this is significantly larger than the 10–90 ppb generally present in basaltic rocks on Earth. Therefore, Hg-bearing minerals are likely not the source of the low radar emissivity signal.

THEREDA – Thermodynamic Reference Database

Part of the process to ensure the safety of radioactive waste disposal is the predictive modeling of the solubility of all relevant toxic components in a complex aqueous solution. To ensure the reliability of thermodynamic equilibrium modeling as well as to facilitate the comparison of such calculations done by different institutions, it is necessary to create a mutually accepted thermodynamic reference database. To meet this demand several institutions in Germany joined efforts and created THEREDA (Moog et al., 2015). THEREDA is a suite of programs at the base of which resides a relational databank. Special emphasis is put on thermodynamic data along with suitable Pitzer coefficients, which enable the calculation of solubilities in high-saline solutions. Registered users may either download single thermodynamic data or ready-to-use parameter files for the geochemical speciation codes PHREEQC, Geochemist's Workbench, CHEMAPP, or TOUGHREACT. Data can also be downloaded in a generic JSON format to enable the import into other codes. The database can be accessed via the world wide web: http://www.thereda.de (last access: 1 November 2021). Prior to release, the released part of the database is subjected to many tests. Results are compared to results from earlier releases and among the different codes. This is to ensure that by additions of new and modification of existing data no adverse side effects on calculations are caused. Furthermore, our website offers an increasing number of examples for applications, including graphical representation, which can be filtered by components of the calculated system.

The Transition to Equilibrium in a System with Gravitationally Interacting Particles. I. Temperature Relaxation

The distribution function of systems in equilibrium must have the canonical form of the Gibbs distribution. To substantiate this behavior of systems, attempts have been made for more than 100 years to involve their mechanical behavior. In other words, it seems that a huge number of particles of the medium as a result of interaction with each other according to dynamic laws, is able to explain the statistical behavior of systems during their transition to equilibrium. Modeling of gravitationally interacting particles is carried out and it is shown that in this case, the distribution function does not evolve to the canonical form. Earlier, the same results were obtained for classical Coulomb plasma. On the other hand, such a statistical effect as relaxation is well described by the dynamic behavior of the system, and the simulation data are in agreement with the known theoretical results obtained in various statistical approaches.