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All sourcesNASA NTRSDOE OSTI
NASA NTRS2014

Core-Mantle Partitioning of Volatile Elements and the Origin of Volatile Elements in Earth and Moon

Depletions of volatile siderophile elements (VSE; Ga, Ge, In, As, Sb, Sn, Bi, Zn, Cu, Cd) in mantles of Earth and Moon, constrain the origin of volatile elements in these bodies, and the overall depletion of volatile elements in Moon relative to Earth. A satisfactory explanation has remained elusive [1,2]. We examine the depletions of VSE in Earth and Moon and quantify the amount of depletion due to core formation and volatility of potential building blocks. We calculate the composition of the Earth's PUM during continuous accretion scenarios with constant and variable fO2. Results suggest that the VSE can be explained by a rather simple scenario of continuous accretion leading to a high PT metal-silicate equilibrium scenario that establishes the siderophile element content of Earth's PUM near the end of accretion [3]. Core formation models for the Moon explain most VSE, but calculated contents of In, Sn, and Zn (all with Tc < 750 K) are all still too high after core formation, and must therefore require an additional process to explain the depletions in the lunar mantle. We discuss possible processes including magmatic degassing, evaporation, condensation, and vapor-liquid fractionation in the lunar disk.

Righter, Kevin↗
DOE OSTI2025

Development of a Representative Molten Chloride Fast Reactor Model to Assess the Impact of Nuclear Data

The SCALE code system was employed to conduct a preliminary investigation of nuclear data impacts for a fast spectrum molten chloride salt reactor. A computationally effective depletion model that is representative of the reactor system was successfully developed and used to conduct fuel depletion simulations. Development of this model draws from the SLICE method that was developed at Oak Ridge National Laboratory to enable generation of fuel compositions for an advanced reactor core at equilibrium operation. Eigenvalue uncertainty calculations using the ENDF/B-VII.1 nuclear data library were performed for the reactor in the fresh fuel state and an irradiated fuel state. It was determined that the primary driver of eigenvalue uncertainty was the uncertainty in the 235U (n, 𝛾) cross section. Uncertainty calculation results from this study were compared to results available for a different fast system, a sodium-cooled fast reactor, to confirm similarities and identify differences with respect to nuclear data impacts between the two fast advanced reactor systems.

Hirji, Rakim [Georgia Institute of Technology]↗
NASA NTRS2004

Winds, Water Budgets and Stable Isotopes in Tropical Cyclones using TRMM and QUICKSCAT

Water vapor is the most abundant greenhouse gas in the atmosphere. Changes in its concentration and distribution are controlled by the hydrologic cycle. Because of its capacity to absorb and emit long wave radiation, release latent heat during condensation in storms and reflect short wave radiation when clouds form it has a major impact on Global climate change. The stable isotope ratios of water are H20 H2l6O and H0 H2l6O. These ratios change whenever water undergoes a phase change. They also change in both rain and water vapor whenever an air parcel is exposed to rain. In addition the relative changes in the two ratios differ as a &nction of the relative humidity. In short, the stable isotope ratios in water vapor in the atmosphere contain an integrated history of the processes affecting the concentration and distribution of water vapor in the atmosphere. Therefore the measurement and interpretation of changes in these stable isotope ratios are a powerful tool matched by no other method in tracing the transport history of water in the atmosphere. Our initial studies under this grant focused on the changes of the stable isotope ratios of precipitation and water vapor in tropical cyclones. The changes in time and space were found to be very large and to trace the transport of water in the storms reflecting changes in basic structural features. Because the stable isotope ratios of rains from tropical cyclones are so low flooding associated with land falling tropical cyclones introduces a negative isotopic spike into the coastal surface waters. In addition the stable isotope ratios of water vapor in the vicinity of tropical cyclones is anomalously low. This suggests that carbonate shelled organisms such as ostracoda living in coastal waters have the potential to record the isotopic spike and thereby provide a long term record of tropical storm activity in sediment cores containing fossil shells. Likewise, tree rings in coastal environments offer a similar potential. We have analyzed the oxygen isotopic composition of ostrcoda shells formed in the floodwaters of Tropical Storm Allison (2001) and discovered the negative isotopic 1 16 spike. Because we had learned that storm activity has a major impact on the stable isotope ratios of water vapor in the tropics and sub-tropics we decided to analyze the isotopic compositions of water vapor in different locations in the tropics. We did this in Puerto Escondido, Mexico in July 1998, near Kwajalein Island in the Pacific in 1999 as part of a TRMM summer field program and in 2001 in Key West, Florida as part of the CAMEX 4 summer field program. Our isotopic studies along with our earlier tropical cyclone studies showed that the low isotopic ratios in water vapor induced by exposure to rains the storms persisted for 48 hours often far away from the original storm site. We also noted that positive isotopic spikes were introduced into atmospheric water vapor if winds were high and extensive sea spray was present. These findings have a significant impact on the interpretation of the stable isotope studies of tropical ice cores found in the high mountain regions of the tropics. The assumption made in interpreting the ice core record is that the source water vapor evaporated from the sea surface is in near isotopic equilibrium with the seawater and undergoes a decrease during its transport that reflects the change in temperature from the sea surface to the site of the ice core. Because an additional isotopic depletion occurs at the sea surface source area that depends on the intensity, duration and size of the tropical rain system the isotopic variations found in the ice cores must take into account changes in past storm activity in the tropics. These systems must be an important source of water vapor to the ice cores because they charge the troposphere with water vapor to a far greater vertical height than evaporation in quiescent regions. Finally, an interest in increased heat transfer in thnterior of tropical cyclones resulting from greater amounts of sea spray is a topic of considerable interest to the research community. Increases in sea spray may be related to rapid changes in the intensity of hurricanes, a feature of hurricanes that currently is very poorly forecast. Project CBLAST of the Hurricane Research Division of NOAA is an active program that uses P3 research aircraft to evaluate this problem. An instrument has been designed and built at the University of Houston that will be placed on the P3 research aircraft during the 2004 hurricane season. It continuously measures the salt content of rain in hurricanes. Changes in the salt content of the rains should reflect the abundance of sea spray at the sea surface. In this way maps of sea spray intensity in hurricanes may be forthcoming. This should help computer modelers who simulate hurricanes to better understand the potential of changes in sea spray to change the intensity of hurricanes. The cost of designing, building and installing this instrument was borne largely by funding from this NASA grant. A list of presentations at national meetings and publications that were as the result of funding from this NASA grant are found in the report.

Lawrence, James R.↗
DOE OSTI2023

Modeling and Simulation of Fuel Burnup in Pebble Bed Reactors

Modeling and simulation of fuel burnup plays important roles in reactor design, operation, safety, and security as well as nuclear material control and accounting (MC&A) [1]. This task is uniquely challenging for pebble bed reactors (PBR) because the pebbles are continuously added and recycled into the reactor core, and their paths through the core are random. To address this problem, we present two simulation models in this paper. Brookhaven National Laboratory (BNL) developed a simple lattice model of a PBR in Serpent software to generate used pebble isotopic concentrations. The benefit of using Serpent software in this specific application is that it helps streamline the data generation process without having to use too many independent software codes in combination to achieve a simple task. For example, transport, burnup and zero power decay can be implemented in a single pass. Three-dimensional core models were developed using Serpent to simulate the burnup process of 5 subject pebbles starting from fresh till they reach nearly target burnup, with each pebble placed in one of the five artificially designated radial channels to capture the changing neutron spectra along the core radius. Equilibrium isotopic concentrations were assumed in all other pebbles in the core. To provide a verification for the Serpent isotope transmutation and decay results, Oak Ridge National Laboratory (ORNL) performed simple SCALE/ORIGEN calculations using the average neutron spectra calculated by Serpent for each of the 5 pebbles. The 252-group neutron spectra from Serpent were then used by ORIGEN to produce the one-group library for depletion and decay calculations. The isotopic concentrations of a few nuclides of interest and neutron and gamma source terms produced from the ORIGEN calculations were compared with the ones from the Serpent calculations. The model simulated in this work was based on the Pebble Bed Modular Reactor (PBMR)-400 design because many data needed for the simulation such as core power profiles, fuel and reflector temperatures, and equilibrium core composition are publicly available. In this paper, we will compare the results between these two approaches and benchmark the results against a set of well-established simulation results for PBMR-400.

Dim, Odera↗
DOE OSTI2023

Modeling and Simulation of Fuel Burnup in Pebble Bed Reactors

Modeling and simulation of fuel burnup plays important roles in reactor design, operation, safety, and security as well as nuclear material control and accounting (MC&A) [1]. This task is uniquely challenging for pebble bed reactors (PBR) because the pebbles are continuously added and recycled into the reactor core, and their paths through the core are random. To address this problem, we present two simulation models in this paper. Brookhaven National Laboratory (BNL) developed a simple lattice model of a PBR in Serpent software to generate used pebble isotopic concentrations. The benefit of using Serpent software in this specific application is that it helps streamline the data generation process without having to use too many independent software codes in combination to achieve a simple task. For example, transport, burnup and zero power decay can be implemented in a single pass. Three-dimensional core models were developed using Serpent to simulate the burnup process of five subject pebbles starting from fresh till they reach nearly target burnup, with each pebble placed in one of the five artificially designated radial channels to capture the changing neutron spectra along the core radius. Equilibrium isotopic concentrations were assumed in all other pebbles in the core. To provide a verification for the Serpent isotope transmutation and decay results, Oak Ridge National Laboratory (ORNL) performed simple SCALE/ORIGEN calculations using the average neutron spectra calculated by Serpent for each of the five pebbles. The 252-group neutron spectra from Serpent were then used by ORIGEN to produce the one-group library for depletion and decay calculations. The isotopic concentrations of a few nuclides of interest and neutron and gamma source terms produced from the ORIGEN calculations were compared with the ones from the Serpent calculations. The model simulated in this work was based on the Pebble Bed Modular Reactor (PBMR)-400 design because many data needed for the simulation such as core power profiles, fuel and reflector temperatures, and equilibrium core composition are publicly available. In this paper, we will compare the results between these two approaches and benchmark the results against a set of well-established simulation results for PBMR-400.

98 NUCLEAR DISARMAMENT, SAFEGUARDS, AND PHYSICAL P↗
DOE OSTI2023

Development of a BlueCRAB/MELCOR Framework for Supporting Realistic Mechanistic Source Term Calculations in Microreactors

Efforts are currently underway to deploy microreactor modeling and simulation tools to better support vendors and regulatory authorities in submitting and reviewing licensing applications. In particular, the Nuclear Regulatory Commission is expected to rely on the Comprehensive Reactor Analysis Bundle (BlueCRAB) multiphysics toolset in performing design- and beyond-design-basis accident analyses. In addition, the Nuclear Regulatory Commission has been using the MELCOR code to estimate mechanistic source terms during accidents. As MELCOR relies on isotopic inventory and reactor temperature/power evolution profiles during accident conditions—all of which can theoretically be obtained from BlueCRAB—the ultimate goal of this activity is to establish a common BlueCRAB-MELCOR framework. However, prior to the present research, BlueCRAB had never been used to calculate such quantities of interest at the full-core level. While there are many Monte Carlo (MC) codes capable of computing such quantities of interest, they are unable to readily account for multiphysics feedback. BlueCRAB allows for the coupling of different physics codes together to perform multiphysics-informed calculations. Therefore, the purpose of this fiscal year 2023 work is to investigate the feasibility and challenges of performing such calculations within BlueCRAB so as to generate the data that MELCOR relies on. To demonstrate the methodology, the proposed workflow was applied to a prototypical heat pipe-cooled microreactor model. To predict isotopic concentrations (taking into account the ac- cumulation of fission products during operation), the necessary microscopic cross sections were generated via OpenMC and tabulated with respect to temperature and burnup. Next, a recently developed capability in Griffin (the reactor physics application in BlueCRAB) was used to convert the OpenMC output format into the ISOXML format used by Griffin. A multiphysics microscopic depletion calculation that involved performing a coupled full-core, heterogeneous neutron trans- port and thermal calculation at each depletion step was conducted to deplete the core to end of life (EOL) conditions so as to provide both isotopics and the initial condition for the transient calculation. Following a brief null-transient to verify that the initial condition had been properly restarted and was indeed in thermal equilibrium, a heat pipe failure transient was simulated. Thus, the entire workflow of using BlueCRAB to generate MELCOR inputs, from cross-section generation to producing isotopic inventory and power/temperature evolution profiles during transients, is demonstrated. This report also details the identified gaps in the workflow and how they were (for the most part) addressed. Future work should focus on directly including MEL- COR into the workflow by performing a MELCOR calculation using the BlueCRAB-generated input data. In addition, the heat pipe reactor design should be improved so as to reflect more prototypical burnup characteristics at EOL.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2025

Protracted core formation and impact disruptions shaped the earliest outer Solar System planetesimals

The distinct compositions of metallic cores from noncarbonaceous (NC) and carbonaceous (CC) iron meteorite parent bodies (IMPBs) reflect differences in accretion and differentiation histories of earliest inner and outer Solar System planetesimals. Compared to NC IMPBs, CC IMPBs have smaller, sulfur (S)–poor, highly siderophile element (HSE)–enriched cores and younger core formation ages. However, the origins of these differences remain debated. Using equilibrium partitioning models between the S-poor solid and the S-rich liquid metal, we argue that HSE enrichment in IID, IIF, IIIF, and IVB cores resulted from a multistage evolutionary sequence: (i) segregation of S-rich, HSE-depleted protocores during initial planetesimal heating; (ii) collisional disruption before S-poor metal segregation; (iii) reaccretion of mantle fragments into daughter planetesimals; and (iv) further 26 Al-driven heating producing HSE-enriched, S-poor cores. We suggest that iron meteorites from these CC IMPBs originate from such second-generation cores. Accounting for “missing” S-rich protocores helps reconcile several NC-CC IMPB differences and highlights the role of early collisional processing in shaping planetesimal chemical evolution.

Geosciences↗
NASA NTRS1974

Geochemical affinities of cobalt and germanium toward metal, silicate, and sulfide phases at high temperature

Hydrothermal studies indicate that Co and Ge are strongly siderophile when metallic iron is in equilibrium with olivine at 900 C and 500 bars. If the metal is replaced by troilite (FeS), Ge is strongly lithophile whereas Co tends to concentrate in the sulfide phase. If iron meteorites were formed in a core derived from the sulfide phase, they would be depleted in Ge but retain Co.

Wai, C. M.↗
DOE OSTI2025

Plant Reload Optimization (prlo)

The PRLO framework is built on a modular and extensible architecture that tightly couples advanced evolutionary optimization algorithms with nuclear fuel depletion solvers (i.e., nuclear physics neutronics code). It supports exploring complex, high-dimensional design spaces constrained by user-specified operational, safety, and economic constraints. Objectives such as minimizing fresh fuel enrichment, flattening radial and axial power distributions, and maximizing discharge burnup are evaluated. PRLO’s equilibrium cycle optimization capability enables the identification of core configurations that maintain fuel cycle sustainability over extended planning horizons. Its integration with the RAVEN platform facilitates optimization of loading patterns or fuel shuffling schemes across multiple cycles. The interface with SIMULATE, a licensed industry-standard nodal code developed by Studsvik, ensures accurate neutronic and thermal-hydraulic feedback for reactor core design. PRLO’s automated workflow engine supports iterative design refinement, enabling utilities to streamline core design processes and meet evolving performance and regulatory targets.

Kim, Junyung [Idaho National Laboratory] (00090005↗
NASA NTRS1974

Metal-olivine associations and Ni-Co contents in two Apollo 12 mare basalts

Olivine crystals in mare basalts 12004,8 and 12022,12 are normally zoned with Cr-poor rims. The Ni content of rare 2- to 10-micron metal inclusions in olivine decreases markedly as Fe/Mg in their immediate olivine hosts increases. Each metal grain appears to have been enclosed by late olivine almost immediately after it crystallized. The fractionation trend for the olivine and metal contrasts with the subsolidus equilibration trend for pallasites. For the basalts, not even local equilibrium of Fe, Ni and Co at metal/olivine interfaces can be detected by microprobe. Ni and Co concentrations range from about 300 ppm in olivine cores to about 70 ppm in rims. The limits of detection, at 95% confidence, are 36 ppm (Ni) and 25 ppm (Co). The distribution of Ni and Co in olivine, like that of Mg and Cr, records the depletion of these elements in the melt.

Hewins, R. H.↗
NASA NTRS2012

Constraints on the Parental Melts of Enriched Shergottites from Image Analysis and High Pressure Experiments

Martian basalts can be classified in at least two geochemically different families: enriched and depleted shergottites. Enriched shergottites are characterized by higher incompatible element concentrations and initial Sr-87/Sr-86 and lower initial Nd-143/Nd-144 and Hf-176/Hf-177 than depleted shergottites [e.g. 1, 2]. It is now generally admitted that shergottites result from the melting of at least two distinct mantle reservoirs [e.g. 2, 3]. Some of the olivine-phyric shergottites (either depleted or enriched), the most magnesian Martian basalts, could represent primitive melts, which are of considerable interest to constrain mantle sources. Two depleted olivine-phyric shergottites, Yamato (Y) 980459 and Northwest Africa (NWA) 5789, are in equilibrium with their most magnesian olivine (Fig. 1) and their bulk rock compositions are inferred to represent primitive melts [4, 5]. Larkman Nunatak (LAR) 06319 [3, 6, 7] and NWA 1068 [8], the most magnesian enriched basalts, have bulk Mg# that are too high to be in equilibrium with their olivine megacryst cores. Parental melt compositions have been estimated by subtracting the most magnesian olivine from the bulk rock composition, assuming that olivine megacrysts have partially accumulated [3, 9]. However, because this technique does not account for the actual petrography of these meteorites, we used image analysis to study these rocks history, reconstruct their parent magma and understand the nature of olivine megacrysts.

Collinet, M.↗
NASA NTRS1984

Experimental determination of the partitioning of gallium between solid iron metal and synthetic basaltic melt Electron and ion microprobe study

The distribution of Ga between solid Fe metal and synthetic basaltic melt is investigated experimentally at temperatures of 1190 and 1330 C, and over a narrow range of oxygen fugacities. Metal-silicate reversal experiments were conducted, indicating a close approach to equilibrium. The analysis of the partitioned products was performed using electron and ion microprobes. At one bar total pressure, the solid metal/silicate melt partition coefficient D(Ga) is used to evaluate metal-silicate fractionation processes in the earth, moon, and Eucrite Parent Body (EPB). It is found that the depletion of Ga abundances in the EPB is due to the extraction of Ga into a metallic core. Likewise, the depletion of Ga in the lunar mantle is consistent with the extraction of Ga into a smaller lunar core if Ga was originally present in a subchondritic concentration. The relatively high Ga abundances in the earth's mantle are discussed, with reference to several theoretical models.

Drake, M. J.↗
NASA NTRS2020

Ag isotopic and chalcophile element evolution of the terrestrial and martian mantles during accretion: new constraints from Bi, Pd, and Ag metal-silicate partitioning.

The Earth’s timing of accretion and acquisition of moderately volatile compounds is uncertain. Hafnium-W and Mn-Cr isotopic data can bracket the timing of early planetary differentiation and core formation. The Ag-Pd system has also been utilized but its application has been limited by a lack of high pressure and temperature metal-silicate partitioning for Pd and Ag. Be-cause Ag (and Bi) are volatile chalcophile siderophile elements, understanding their early distribution can constrain the origin of volatile elements in differentiated bodies and planets. Unfortunately, neither Ag or Bi have been studied across the wide range of pressure and temperature conditions that are relevant to accretion and core-mantle differentiation. Here, new high-pressure and temperature multi-anvil metal-silicate equilibrium experiments for Bi and Ag have been carried out at conditions relevant to planetary accretion and metal silicate differentiation that allow a more refined and complete understanding of element partitioning during core formation. The new metal-silicate partitioning data utilized to predict the distributions of Bi, Pd, and Ag at conditions of accretion for Earth and Mars and show that the Pd/Ag ratio is significantly fractionated during accretion, allowing for the production of detectable 107Ag anomalies produced while 107Pd (half life = 6.5 M.y.) was still extant. Application of the new partitioning results to Earth shows that D(Bi) and D(Ag) (D = metal/silicate concentration ratio) are lowered due to the effect of pressure and Si alloyed in the metallic liquid, resulting in higher predicted mantle Bi and Ag abundances than in the bulk silicate Earth (BSE), as well as high and variable Pd/Ag. The unradiogenic Ag isotopic composition of the BSE could have been generated by early accretion of volatile-poor (high Pd/Ag) precursors, followed by later accretion of volatile–rich (low Pd/Ag) material, in agreement with earlier studies of Pd-Ag and Mn-Cr (Schönbächler et al., 2010). However, these main accretion phases would have to be followed by segregation of a sulfide liquid (at least 1.5% of magma ocean) at high pressures (>30 GPa), to explain the PUM Bi, Pd, and Ag, as well as Au, Pt, Cu and Ni concentrations as proposed previously. If the early accreted bulk Earth was volatile depleted with high Pd/Ag ratios, portions of the mantle may contain ancient domains that developed positive 107Ag isotopic anomalies (as also argued by noble gases, Nd, W, and Os isotopes). In comparison, Bi, Pd, and Ag concentrations in the martian mantle could have been set by simple metal-silicate equilibrium. Mars accreted and differentiated relatively rapidly, while also developing a deep magma ocean with a high Pd/Ag ratio that could have evolved positive 107Ag anomalies, in contrast to Earth. Measurements on shergottites may reveal these predicted Ag isotopic anomalies.

accretion↗
NASA NTRS1999

Effective Forces Between Colloidal Particles

Colloidal suspensions have proven to be excellent model systems for the study of condensed matter and its phase behavior. Many of the properties of colloidal suspensions can be investigated with a systematic variation of the characteristics of the systems and, in addition, the energy, length and time scales associated with them allow for experimental probing of otherwise inaccessible regimes. The latter property also makes colloidal systems vulnerable to external influences such as gravity. Experiments performed in micro-ravity by Chaikin and Russell have been invaluable in extracting the true behavior of the systems without an external field. Weitz and Pusey intend to use mixtures of colloidal particles with additives such as polymers to induce aggregation and form weak, tenuous, highly disordered fractal structures that would be stable in the absence of gravitational forces. When dispersed in a polarizable medium, colloidal particles can ionize, emitting counterions into the solution. The standard interaction potential in these charged colloidal suspensions was first obtained by Derjaguin, Landau, Verwey and Overbeek. The DLVO potential is obtained in the mean-field linearized Poisson-Boltzmann approximation and thus has limited applicability. For more precise calculations, we have used ab initio density functional theory. In our model, colloidal particles are charged hard spheres, the counterions are described by a continuum density field and the solvent is treated as a homogeneous medium with a specified dielectric constant. We calculate the effective forces between charged colloidal particles by integrating over the solvent and counterion degrees of freedom, taking into account the direct interactions between the particles as well as particle-counterion, counterion-counterion Coulomb, counterion entropic and correlation contributions. We obtain the effective interaction potential between charged colloidal particles in different configurations. We evaluate two- and three-body forces in the bulk as well as study the influence of soft walls. We qualitatively explain the effects of the walls on the forces and demonstrate that many-body effects are negligible in our system. With adjustments in the parameters, the DLVO pair-potential can describe the results quantitatively. Besides electrostatic interactions, entropic depletion effects that arise from (hard-core) exclusion play an important role in determining the behavior of multi-component colloidal suspensions. A standard theory for depletion forces is due to Asakura and Oosawa and is based on the ideal gas approximation. To go beyond this approximation, we have studied entropic forces in molecular dynamics simulations of systems of hard spheres (the effects of the solvent have been ignored). The effective depletion forces for these systems can be found either from equilibrium distribution functions or from direct momentum transfer calculations. Our results obtained by either method show qualitative differences from the Asakura-Oosawa forces, indicating a longer range, higher value at contact and most importantly a more complicated structure, comprising of several maxima and minima. Our calculations include the determination of effective forces between two spheres, a hard sphere and a wall, and the behavior of a hard sphere near a step-edge and a corner. We also demonstrate that such entropic forces do not necessarily satisfy pairwise additivity.

Tehver, Riina↗
NASA NTRS2020

Mantle-melt Partitioning of the Highly Siderophile Elements: New Results and Application to Mars

Trace elements and extant and extinct isotopic attributes in martian meteorites have been used to argue that Mars accreted quickly, differentiated into core and mantle, and established several mantle reservoirs, possibly within 10 Ma of T0. The partitioning of trace elements in the deep mantle has been relatively unstudied, despite the need for such knowledge in understanding magma ocean crystallization and the origin of depleted and enriched mantle reservoirs. The siderophile element composition of the martian mantle, and lithophile isotopic systems such as Sr, Hf, and Nd, are thought to record evidence for early metal-silicate equilibrium and deep magma ocean at an intermediate depth and pressure of 800 km or 14 GPa. We have carried out experiments across this pressure range to better understand the mineral/melt partitioning of a wide range of elements. These new data are used to evaluate differentiation models for Mars and to help interpret the available isotopic data. The relatively incompatible nature of Re compared to mildly compatible Os means that the crystallization of a deep magma ocean will lead to residual liquids with super chondritic Re/Os, and solids with sub-chondritic Re/Os. Such material available in the mantle could be the source of enriched isotopic reservoir that produced shergottites with + Os values. On the other hand, slightly sub-chondritic Re/Os ratios in the crystallizing solids would provide a reservoir that could produce - Os values. Melting of mixtures of these two enriched and depleted end members could explain the Nd-Os isotopic correlations and systematics of shergottites.

K Righter↗
DOE OSTI2022

Initial study on cross-section generation requirements for a PBR equilibrium core

A Serpent model of the equilibrium core HTR-PM small modular nuclear reactor in China, was developed for use in cross-section preparation studies in order to guide methods development for the Griffin reactor multiphysics application. The model includes detailed isotopics for 10 distinct pebble burnup groups in 126 core zones with unique fuel and moderator temperatures obtained from a coupled neutronics-thermal-fluids equilibrium core calculation using Griffin-Pronghorn. A sensitivity study of the fuel and moderator temperatures for various core regions was performed with the MOOSE stochastic tools. The results show that the uncertainties are, not unexpectedly, dominated by the value of the fluid temperature and that the power level, heat transfer coefficient and effective conduction to neighboring pebbles and fluid constitute, at best, second order effects. The temperature uncertainty range varies from 28 K to 57 K between the core entry and exit planes, respectively, but these values are probably higher. We still have to quantify the significance of these uncertainties in the preparation of cross-sections in future work. In addition, we verified that the effective pebble approximation used in the PEBBED and V.S.O.P. computer codes works well for the preparation of region averaged cross-sections. Nevertheless, there are some discrepancies in the cross-sections when compared to the multi-pebble model, which could affect the prediction of peak values and the depletion calculation. We conclude that is highly desirable for future studies with Griffin to be able to handle both the 'effective' pebble approximation and the multi-pebble approach for various pebble burnup groups. This enables Griffin users with the flexibility to perform higher-fidelity studies. Finally, we initiated the preparation of cross-sections for various core regions from the full core Serpent reference model. We quantified the differences in 26 group cross-sections from infinite domain models versus the full core approach. These reference cross-sections will serve to verify the double heterogeneity, self-shielding, and spectrum-correction methods in Griffin. (authors)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
NASA NTRS2007

Partitioning of Pd Between Fe-S-C and Mantle Liquids at High Pressure and Temperature: Implications for Core Formation

One of the most elusive geochemical aspects of the early Earth has been explaining the near chondritic relative abundances of the highly siderophile elements (HSE; Au, Re and the platinum group elements) in Earth's primitive upper mantle (PUM). Perhaps they were delivered to the Earth after core formation, by late addition of carbonaceous chondrite material. However, the recognition that many moderately siderophile elements can be explained by high pressure and temperature (PT) metal-silicate equilibrium, leads to the question whether high PT equilibrium can also explain the HSE concentrations. Answers to this question have been slowed by experimental difficulties (nugget effect and very low solubilities). But two different perspectives have emerged from recent studies. One perspective is that D(M/S) for HSE at high PT are not low enough to explain terrestrial mantle depletions of these elements (for Pd and Pt). A second perspective is D(M/S) are reduced substantially at high PT and even low enough to explain terrestrial mantle depletions (for Au and Pt). Issues complicating interpretation of all experiments include use of MgO- and FeO-free silicate melts, and S-free and FeNi metal-free systems. In addition, conclusions for Pt rest on an interpretation that the tiny metallic nuggets plaguing many such experiments, were formed upon quench. There is not agreement on this issue, and the general question of HSE solubility at high PT remains unresolved

Righter, K.↗
NASA NTRS2010

Water in the Oceanic Lithosphere: Salt Lake Crater Xenoliths, Oahu, Hawaii

Water can be present in nominally anhydrous minerals of peridotites in the form of hydrogen bonded to structural oxygen. Such water in the oceanic upper mantle could have a significant effect on its physical and chemical properties. However, the water content of the MORB source has been inferred indirectly from the compositions of basalts. Direct determinations on abyssal peridotites are scarce because they have been heavily hydrothermally altered. Here we present the first water analyses of minerals from spinel peridotite xenoliths of Salt Lake Crater, Oahu, Hawaii, which are exceptionally fresh. These peridotites are thought to represent fragments of the Pacific oceanic lithosphere that was refertilized by alkalic Hawaiian melts. A few have unradiogenic Os and radiogenic Hf isotopes and may be fragments of an ancient (~2 Ga) depleted and recycled lithosphere. Water contents in olivine (Ol), orthopyroxene (Opx), and clinopyroxene (Cpx) were determined by FTIR spectrometry. Preliminary H_{2}O contents show ranges of 8-10 ppm for Ol, 151-277 ppm for Opx, and 337-603 ppm for Cpx. Reconstructed bulk rock H_{2}O contents range from 88-131 ppm overlapping estimates for the MORB source. Water contents between Ol minerals of the same xenolith are heterogeneous and individual OH infrared bands vary within a mineral with lower 3230 cm^{-1} and higher 3650-3400 cm^{-1} band heights from core to edge. This observation suggests disturbance of the hydrogen in Ol likely occurring during xenolith entrainment to the surface. Pyroxene water contents are higher than most water contents in pyroxenes from continental peridotite xenoliths and higher than those of abyssal peridotites. Cpx water contents decrease with increasing degree of depletion (e.g. increasing Fo in Ol and Cr# in spinel) consistent with an incompatible behavior of water. However Cpx water contents also show a positive correlation with LREE/HREE ratios and LREE concentrations consistent with refertilization. Opx water contents increase with increasing degree of depletion and decrease with LREE/HREE ratios which is inconsistent with the incompatible behavior of H. Calculated water contents of melts in equilibrium with Cpx or Opx range from 1.4 to 3.8 wt % which is higher than that of all Hawaiian lavas. Calculated melts in equilibrium with Cpx and Opx have variable but mostly high H_{2}O/Ce ratios (194 to 1146) consistent with those of rejuvenated stage lavas from Niihau and the South Arch volcanic field, but unlike the drier shield building stage tholeiites. Whether the high water contents recorded in Salt Lake Crater xenoliths were acquired before and/or during interaction of the oceanic lithosphere with the Hawaiian plume will be discussed.

Peslier, Anne H.↗