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Metalliferous Coals of Cretaceous Age: A Review

Critical elements in coal and coal-bearing sequences (e.g., Li, Sc, V, Ga, Ge, Se, Y and rare earth elements, Zr, Nb, Au, Ag, platinum group elements, Re, and U) have attracted great attention because their concentrations in some cases may be comparable to those of conventional ore deposits. The enrichment of critical elements in coals, particularly those of Carboniferous-Permian and Cenozoic ages, have generally been attributed to within-plate (plume-related) volcanism and associated hydrothermal activity. However, Cretaceous coals are not commonly rich in critical elements, with the exception of some (e.g., Ge and U) in localised areas. This paper globally reviewed metalliferous coals from Siberia, the Russian Far East, Mongolia, South America, the United States and Mexico, Canada (Alberta and British Columbia), China, Africa, and Australasia (Victoria, Queensland, New South Wales, South Australia, Northern Territory, New Zealand, Nelson, West Coast, Canterbury, Otago, and Southland). The world-class Ge-U or Ge deposits in North China, Mongolia, and Siberia are the only commercially significant representatives of the Cretaceous metalliferous coals, which are related to bio-chemical reduction of oxidized meteoric, hydrothermal, or sea waters by organic matter of the peat bogs. The common Cretaceous coals worldwide are generally not rich in critical elements because intensive igneous activity led to extensive acidification of terrestrial and marine waters, which are responsible for the low coal metallogenesis during the Cretaceous period, especially the Early Cretaceous time.

58 GEOSCIENCES↗

Atomic cooperation in enhancing magnetism: (Fe, Cu)-doped CeCo 5

Developing permanent magnet alloys with decreased critical elements (e.g., Nd, Dy, and Co) requires identifying compositions and structures with uniaxial magneto-crystalline anisotropy energy (MAE), large magnetization, and a high ferromagnetic transition temperature (Curie temperature - T C ). One approach to minimizing the critical elements in potential permanent magnet alloys is to use overly produced Ce, which is less critical. Furthermore, reducing Co content in RCo 5 (R = Rare Earth) alloys is necessary since Co is also a critical element. An obvious choice for decreasing Co content is a substitution with non-critical Fe. However, the Fe is not stable in the lattice due to the reduced number of d -electrons. Concomitant substitution of Cu stabilizes Fe substitution. Employing first-principles electronic structure theory, we identify the weakly localized nature of cobalt in CeCo 5 , which causes high uniaxial magnetic anisotropy of ~10 MJ/m 3 . In contrast, substituted Cu delocalizes the Co’s 3 d -states, resulting in lower anisotropy. Calculations show that 10% Cu can stabilize 20% Fe subsituted for Co, which significantly enhances magnetic moment in the Ce (Co, Fe, Cu) 5 . We report this prediction is in good agreement with a single-crystal experiment in which the optimal composition was identified to be 15% of Fe and 12% Cu. The competitive non-equivalent Co sites preferred by Cu and Fe, a unique electronic structure including exchange and crystal field splitting, and rigid band shift variation are borne by 3 d states of Co, Fe, and Cu around the Fermi level, all play an essential role in tuning the magnetic properties.

36 MATERIALS SCIENCE↗

Multi-Sourced Collaboration for the Production and Refining of Rare Elements and Critical Metals (Final Technical Report)

The project objective was to develop a feasible and cost-effective method for recovering rare earth elements (REEs) and critical materials (CMs) from coal and coal byproducts, resulting in high-purity individually separated REEs and CMs. The targeted REEs included Y, Pr, Nd, Gd, Dy, and Sm, with a purity of over 99.5%, while the CMs included Co, Mn, Ga, Sr, Li, Ni, Zn, and Ge, with a purity of over 90%. The project aimed to design a prototype facility capable of producing 1-3 tonnes/day of high-purity REO mixes. The work was divided into four designated circuits: 1) REE extraction and concentration, 2) REE separation and purification, 3) RE metal production, and 4) CM production. To achieve these goals, the project involved 11 tasks, including technology reviews, research, process flow diagram development, mass balance estimation, and preliminary technical-economic analysis. The project team included researchers from the University of Kentucky, University of Alabama and Virginia Tech as well as process specialists from Argonne National Laboratory. MP Materials provided technical support regarding rare earth markets and processing while Alliance Coal performed resource assessment. The project included a market analysis for Nd/Pr, Tb, Dy, Gd, Y, Co, Mn, Li, Sr, Ga, Ni, Zn, and Ge. These analyses provided insights into the supply and demand trends as well as historic and future projections of market price relative to purity requirements for these elements. Two coal resources were selected for the project: the West Kentucky No. 13 (Baker) Seam and an undisclosed lignite resource in the Illinois coal basin. The estimated quantities of REEs in these resources were calculated based on production samples and drilling data. It was estimated that there is adequate supply for an operation producing one metric ton daily of higher purity mixed rare earth oxides (MREO) for approximately 20 years at a site located in western Kentucky. In Circuit 1, project data was obtained from a pilot heap leach and REE concentration facility. It was concluded that the existing circuit, which generated a MREO concentrate, two types of CM mixed products, and Li- and Sr-containing waters, would be suitable feed for circuits 2-4. Data from the first-of-its-kind coal coarse refuse heap leach pilot pad played a crucial role in estimating reliable elemental concentrations of the pregnant leaching solution (PLS). The average total REE concentration in the PLS was found to be 28.6 ppm. In Circuit 2, several concepts were explored including a novel process referred to as solvent-assisted chromatography (SAC). This concept involved a novel columnar reactor that incorporated multiple mixer/settlers, thereby enabling the operation of counter-flowing aqueous and organic phases. Unfortunately, due to project time constraints, a complete fundamental modeling analysis could not be completed to fully evaluate the technology. Molten salt electrowinning was considered as an alternative for circuit 3 following circuit 2 purification circuit utilizing the novel SAC process. A mass and energy balance of Nd reduction to metal in a fluoride containing molten salt electrolyte was conducted. Comparisons were made with the current state of Asian molten salt electrorefining, and potential improvements in siphoning rare earth metals (REM) from the reactor were presented. A cost estimate was performed for the production of 1 tonne per day, which yielded a total of $2.29 million for the nine electrowinning (EW) cells required. The selected option for circuits 2 and 3 was a plasma distillation process, which initially separates rare earth elements (REEs) from other elements. This is followed by selective electrowinning in various ionic liquids. The selection was made on the basis of thermodynamic modeling and experimental data previously published by a project partner. The combination offers an innovative approach to integrated refining and RE metal production. For Circuit 4, an extensive literature review was conducted for the processing of the CMs. The ultimate decision was to utilize a combined plasma and ionic liquid process as well to produce individual high-purity concentrates of Zn, Ni, Co, Mn, and Mg. A separate flowsheet for Li and Sr was recommended, which would yield carbonates of these elements. Due to the lack of suitable experimental data at this time, a process recommendation could not be provided but several methods have been proposed for consideration. Lastly, a techno-economic analysis (TEA) was conducted to assess the effectiveness of the proposed process for further investigation. The TEA results revealed a capital expense (CapEx) of $737 million and an annual operational expense (OpEx) of $220 million. Due to the selected elements, the hypothetical heap leach pad can produce 1 metric tonne per day of REO equivalent, but a conscious decision was made to only treat targeted REEs, resulting in the production of 0.4 metric tonne of REM. An estimated annual revenue of $90.87 million was projected based on standard market pricing information provided by the funding agency. During the TEA, ten different modules were evaluated for costing purposes. The precipitation circuit was identified as the largest single operational expense, followed by the Mg/Mn process due to the amount of treated metal. In terms of capital expenditures, the heap leach process incurred the highest cost, followed by the Mg/Mn process. The scalability of the plasma process is a crucial consideration since the reactors cannot be scaled beyond the largest demonstrated size due to their reliance on surface area of the slag and vapor phase. The purity estimate for the REEs are generally 98%±2% to produce a metal. The purity level being lower than the project objective was due to the lack of specific experimental data needed to tighten the tolerance of the estimates. Based on literature and previous experience, the CMs are estimated as follows; Ga (95%+, metal), Sr (95%+, carbonate), Li (95%+, carbonate), Ni (98%±2%, metal), Zn (95%+, metal sponge), Ge (95%+, metal), Co (98%±2%, metal), and Mn (98%±2%, metal).

01 COAL, LIGNITE, AND PEAT↗

DISTRIBUTION OF ION-EXCHANGEABLE RARE EARTH ELEMENTS AND CRITICAL MINERALS IN COAL-HOSTED CLAYS OF THE POWDER RIVER BASIN, WY

Increasing demand for a more robust domestic supply of rare earth elements (REE) and critical minerals (CM) has led to significant investigation into unconventional sources. Coal and coal byproducts from the Powder River Basin (PRB) of Wyoming are potential sources of REE but lack complete characterization of mineral hosts including ion-adsorption clays (IACs). IACs, which provide a substantial portion of the global REE supply, form when hydrated REE complexes are physiosorbed to negatively charged sites on clay surfaces. Typical IAC minerals include kaolinite, illite, and smectite. REE complexes are easily leached from IACs via ion exchange, making them economically attractive. However, research regarding the partitioning behaviors of strategic metals into PRB coal-hosted clays is limited. This project aims to quantify the modes of occurrence and distribution of REE and CM in clay minerals derived from PRB coals. Strategic metals investigated in this project have historic production or promising deposits within the PRB and/or high anticipated supply risk, and include: REE (lanthanides and Y), V, Ti, platinum group elements (PGE; Pt, Pd, Rh, Ru, Ir, Os), Al, Co, Ga, Zr, and W. Semi-quantitative compositional data from portable x-ray fluorescence spectroscopy (pXRF) on coal core from the PRB is consistent with the known correlation between REE and Al content, suggesting increased REE abundance will be found in clay-rich units. pXRF data also identifies elevated V, Ti, Co, and Zr correlated with Al. Preliminary x-ray diffraction (XRD) data indicates kaolinite, illite, and dickite are abundant minerals in overburden and clay-rich partings. Quantitative analysis via inductively coupled plasma mass spectrometry (ICP-MS) provides insights into REE and CM fractionation in coals as we compare trace metal occurrence to variations in mineralogy. Additionally, we apply scanning electron microscopy (SEM) and energy dispersive x-ray spectroscopy (EDS) data to correlate clay size and morphology to trace metal occurrence. Our findings supplement a broader effort to couple REE and CM extraction with existing domestic coal production and contribute to the fundamental understanding of adsorption processes that occur in low-temperature basin environments.

Stuart, Sophia↗

Capability Gaps Assessment and Identification of Critical Technology Elements for Mars Transit Habitat

The Habitation Systems Development Office (HP40) at NASA Marshall Space Flight Center supports systems engineering, integration, and project management for next generation space habitats. For in space operations and eventual transport of humans to Mars, NASA will rely on a Mars Transit Habitat (TH). The TH will be designed for an up to 1,200-day Mars mission and will carry all food and supplies needed to support four crew for this duration. In the current concept of operations, Mars TH transfers to near rectilinear halo orbit (NRHO) following launch and docks at Gateway as a visiting vehicle. While there, the TH will complete system shakedown testing and a series of analog missions which will grow from 3 to 6+ months in duration TH also augments Gateway’s habitation capabilities beyond 60-days. Proposed Gateway-TH missions will far exceed the longest duration cislunar human missions to date. These shakedown missions will also be the first operational readiness tests of Mars TH’s long-duration deep space systems, and of the split crew (two crew on the surface, two crew in space) operations that are vital to the approach for the first human Mars mission. Once shakedown missions are complete, Mars TH departs Gateway to aggregate with the Mars propulsion system in NRHO before onboarding the crew and final supplies in Earth orbit via a co-manifested Orion-logistics module. Orion and the LM return to Earth prior to the now aggregated Deep Space Transport vehicle’s journey to Mars. Development of the Mars TH requires significant technology development and maturation. Each year the agency performs a capability gaps assessment, where gaps developed by subject matter experts (SMEs) in various engineering/science disciplines are linked to architectural elements in formulation and prioritized. A gap captures the difference between the current state-of-the-art and the maturity of the capability that is needed to enable or enhance a mission as it is currently envisioned in the government reference architecture. HP40 conducted a gap analysis for Mars TH which will be summarized in this poster. Gaps classified as enabling (which means the mission cannot achieve success without gap closure) were subsequently used to identify critical technology elements (CTEs) for Mars TH. This identification of CTEs was also informed by an examination of the product breakdown structure for Mars TH and focused conversations with SMEs in specific technology areas. CTEs identified for Mars TH to date include the following (note this is not a comprehensive list – CTEs listed represent those in MSFC’s capability areas): inflatable softgoods for habitation; enhanced CO2 recovery; life support systems with greater levels of reliability and maintainability; autonomous guidance, navigation, command and control; and radiators for the Mars TH application. The habitation systems development team is currently delving deeper into each CTE to assess technology approaches being pursued, their maturity, and the degree of difficulty in maturation to meet projected Mars TH timelines. This poster will summarize work to date on the identification of enabling capability gaps linked to Mars TH and provide insight into the associated CTEs and technology maturation efforts.

technology development↗

Critical Design Elements for an On-Site Mercury Concentration and Holding Facility - 20175

Administrative changes and funding issues have delayed the Department of Energy (DOE) from establishing and commissioning a National Repository for mercury as required under the Mercury Export Ban Act (MEBA) of 2008. In the interim, a few hazardous waste Treatment, Storage, and Disposal Facilities (TSDFs) have been authorized to accept mercury classified as a hazardous waste as under Subtitle C of the Resource Conservation and Recovery Act (RCRA). Waste generators are charged (either by weight or by volume) for the waste they manifest to these TSDFs. In many cases, mercury and mercury compounds have chemically sorbed to (or physically lodged into) the interstitial spaces of a substrate material. This almost always causes the amount of waste generated to be unnecessarily large, due to the extra volume (or weight) of the accompanying, non-mercury materials. Depending on a multitude of factors, it could be financially beneficial for waste generators to take greater control of their mercury affairs by separating these substrate materials from the mercury and mercury compounds that have become associated with them. Building and operating an on-site mercury Concentration and Holding Facility (CHF) could help relieve a waste generator's overall cost burden. The purpose of such CHFs is not to treat or dispose of mercury, but to recover and concentrate mercury from bulky mercury-laden materials to the extent that the host substrate to which the mercury may have previously been sorbed could pass a Toxicity Characteristic Leaching Procedure (TCLP) test and either be disposed of at a conventional landfill, or be disposed of at a hazardous waste landfill, but absent additional restrictions specifically for mercury. A CHF represents a way for waste generators to save money by separating mercury from common host materials, concentrating it, and then safely storing it until transportation to an authorized TSDF takes place This paper focuses on the critical design elements waste generators should consider when designing and operating a mercury CHF. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

On a Unified Core Characterization Methodology to Support the Systematic Assessment of Rare Earth Elements and Critical Minerals Bearing Unconventional Carbon Ores and Sedimentary Strata

A significant gap exists in our understanding and ability to predict the spatial occurrence and extent of rare earth elements (REE) and certain critical minerals (CM) in sedimentary strata. This is largely due to a lack of existing, systematic, and well-distributed REE and CM samples and analyses in United States sedimentary basins. In addition, the type of sampling and characterization performed to date has generally lacked the resolution and approach required to constrain geologic and geographic heterogeneities typical of subsurface, mineral resources. Here, we describe a robust and systematic method for collecting core scale characterization data that can be applied to studies on the contextual and spatial attributes, the geologic history, and lithostratigraphy of sedimentary basins. The methods were developed using drilled cores from coal bearing sedimentary strata in the Powder River Basin, Wyoming (PRB). The goal of this effort is to create a unified core characterization methodology to guide systematic collection of key data to achieve a foundation of spatially and geologically constrained REEs and CMs. This guidance covers a range of measurement types and methods that are each useful either individually or in combination to support characterization and delineation of REE and CM occurrences. The methods herein, whether used in part or in full, establish a framework to guide consistent acquisition of geological, geochemical, and geospatial datasets that are key to assessing and validating REE and CM occurrences from geologic sources to support future exploration, assessment, and techno-economic related models and analyses.

54 ENVIRONMENTAL SCIENCES↗

A Fundamental Economic Assessment of Recovering Rare Earth Elements and Critical Minerals from Acid Mine Drainage Using a Network Sourcing Strategy

In recent years, acid mine drainage (AMD) has emerged as a promising unconventional source of rare earth elements (REEs) and other critical minerals (CMs) such as cobalt and manganese. In this regard, AMD provides a natural heap leaching effect that extracts and concentrates REE/CM from the host strata creating a partially enriched feedstock suitable for downstream extraction, separation, and recovery. While several prior studies have described processes and approaches for the valorization of AMD, very few have described the supply chain and infrastructure requirements as well as the associated economic assessment. To that end, this paper provides a fundamental economic assessment of REE/CM recovery from AMD using a network sourcing strategy in addition to a robust, flexible feedstock separations and refining facility. The methodology of this paper follows that of a typical techno-economic analysis with capital and operating costs estimated using AACE Class IV (FEL-2) guidelines. To demonstrate the range of possible outcomes, four pricing scenarios were modeled including contemporary prices (September, 2021) as well as the minimum and maximum prices over the last decade. In addition, five production scenarios were considered reflecting variations in the product suite, ranging from full elemental separation to magnet REE and CM production only (i.e., Pr, Nd, Tb, Dy, Y, Sc, Co, and Mn). The results of this analysis show that, with the exception of the minimum price scenario, all operational configurations have positive economic indicators with rates of return varying from 25% to 32% for the contemporary price scenario. The optimal configuration was determined to be production of Co, Mn, and all REEs except for mischmetal, which is not recovered. Sensitivity analysis and Monte Carlo simulation show that capital cost and HCl consumption are the two major factors influencing rate of return, thus indicating opportunities for future technology development and cost optimization. Implications of the study and a cooperative profit-sharing model for sourcing are also described.

42 ENGINEERING↗

Development Results on Replacement Materials for Current Scarce or High Supply Chain Risk Materials

In September 2020, the U.S. government issued an executive order to address the threat to the domestic supply chain from its reliance on critical minerals (CMs) from foreign competitors and to support the domestic mining and processing industry. The Advanced Materials and Manufacturing Technology (AMMT) program is addressing this executive order by evaluating advanced manufacturing (AM) and its impact on the demands of CMs for energy production in general and how the deployment of AM in nuclear energy will support the projected goals of the Paris Accord and further a net-zero carbon economy (NZE) by 2050. Three strategic reports were previously prepared by the AMMT program to date and identified two areas for more detailed exploration: (1) the replacement of high-risk CMs such as cobalt and niobium by more abundant minerals and (2) the minimization and utilization of CM waste streams. The design of nuclear materials without critical elements as alloying elements, is a part of the nuclear materials strategy to overcome the critical minerals scarcity. In this report, two approaches are evaluated namely (1) replacement of critical elements as alloying elements in nuclear materials, and (2) the design of a new alloys that does not contain critical minerals as an alloying element.

36 MATERIALS SCIENCE↗

Optimized thermodynamic properties of REE aqueous species (REE 3+ and REEOH 2+ ) and experimental database for modeling the solubility of REE phosphate minerals (monazite, xenotime, and rhabdophane) from 25 to 300 °C

Rare earth elements (REE) are critical elements found in monazite, xenotime, and hydrated REE phosphates which typically form in hydrothermal mineral deposits. Accurate predictions of the solubility of these REE phosphates and the speciation of REE in aqueous fluids are both key to understanding the controls on the transport, fractionation, and deposition of REE in natural systems. Previous monazite and xenotime solubility experiments indicate the presence of large discrepancies between experimentally derived solubility constants versus calculated solubilities by combining different data sources for the thermodynamic properties of minerals and aqueous species at hydrothermal conditions. In this study, these discrepancies were resolved by using the program GEMSFITS to optimize the standard partial molal Gibbs energy of formation (Δ f G° 298 ) of REE aqueous species (REE 3+ and REE hydroxyl complexes) at 298.15 K and 1 bar while keeping the thermodynamic properties fixed for the REE phosphates. A comprehensive experimental database was compiled using solubility data available between 25 and 300 °C. The latter permits conducting thermodynamic parameter optimization of Δ f G° 298 for REE aqueous species. Optimal matching of the rhabdophane solubility data between 25 and 100 °C requires modifying the Δ f G° 298 values of REE 3+ by 1–6 kJ/mol, whereas matching of the monazite solubility data between 100 and 300 °C requires modifying the Δ f G° 298 values of both REE 3+ and REEOH 2+ by ~15–31 kJ/mol and ~2–10 kJ/mol, respectively. For xenotime, adjustments of Δ f G° 298 values by 1–26 kJ/mol are only necessary for the REE 3+ species. The optimizations indicate that the solubility of monazite in acidic solutions is controlled by the light (L)REE 3+ species at <150 °C and the LREEOH 2+ species at >150 °C, whereas the solubility of xenotime is controlled by the heavy (H)REE 3+ species between 25 and 300 °C. Based on the optimization results, we conclude that the revised Helgeson-Kirkham-Flowers equation of state does not reliably predict the thermodynamic properties of REE 3+ , REEOH 2+ , and likely other REE hydroxyl species at hydrothermal conditions. We therefore provide an experimental database (ThermoExp_REE) as a basic framework for future updates, extensions with other ligands, and optimizations as new experimental REE data become available. As a result, the optimized thermodynamic properties of aqueous species and minerals are available open access to accurately predict the solubility of REE phosphates in fluid-rock systems.

58 GEOSCIENCES↗

Decision-Making Framework to Evaluate Opportunities for Recovery of Rare Earth Elements and Critical Minerals in Produced Water Networks

Oil and gas development activities require a significant amount of water. Given the environmental impacts associated with high consumption and subsequent disposal of this water, there is a need for strategies to support effective reuse of, treatment of, and/or resource recovery from this produced water. These streams can contain appreciable concentrations of rare earth elements (REE) and critical minerals (CM) (e.g., Lithium), which are critical for many important applications in electronics, technology, manufacturing, energy, and medicine [1]. Along with REE/CM present in produced water, other waste streams such as fly ash from coal-fired power plants and acid mine discharge present other potential sources for recovery of REE/CM [2-4]. And with increases in demand for REE/CM, the need for recovery from wastewater streams is becoming even more important. There is a need to develop effective decision-making tools to evaluate the economic and environmental potential for REE/CM recovery from produced water networks while supporting the needs of drilling and hydraulic fracturing activities. In this work, we present our progress in developing a decision-making framework to efficiently design and operate produced water networks for REE/CM recovery. Our approach considers REE/CM recovery from produced water streams alongside other potential wastewater sources. The models consider the location and capacity of storage and decentralized treatment processes as well as the design and operation of pipeline and transportation networks to connect different sources and effectively schedule inventories, reuse, and recovery opportunities. We focus on the evaluation of opportunities for REE/CM recovery with treatment constraints on composition and flow. We demonstrate this framework with an illustrative case study that features diverse production sites, storage facilities, transportation, and treatment sites. This proposed framework will be deployed in an open-source software package that is compatible with the PARETO framework to deliver analysis and decision-making tools that allow stakeholders to quantitatively evaluate potential opportunities for REE/CM recovery in produced water networks.

Pulsipher, Joshua↗

Hydrothermal Liquid Recovery of Rare Earth Elements and Critical Materials

This project demonstrated the technical viability of using tunable hydrothermal liquid (HTL) solutions to recover valuable minerals from a range of source materials. The effort focused upon rare earth elements (REE) and other minerals critical to the industrial security of the United States. This effort demonstrated, for the first time, that s, supercritical water (SCW) in particular, can: Extract critical and valuable minerals from a range of matrices ranging from rock ore to biomass; The process can be used to recover a wide range of minerals; This novel extraction chemistry can be cheap, simple, and nontoxic/”green”: The chemical extraction uses water, the cheapest industrial acid (sulfuric), and simple salts (i.e. sodium sulfate). However, other acids, salts, and additives could be used as appropriate. This Laboratory Directed Research and Development (LDRD) project identified that the process is complex with many interacting factors, but the benefits are significant if the complexities can be resolved. Challenges remain in the development of this technology and are described in this report. However, the results are positive, and commercial partners have already expressed interest. In summary, a novel, green, inexpensive mineral extraction process has been developed and demonstrated in a small batch reactor system. The effort provided information for an invention disclosure, proposal to DOE, and will support future business development efforts.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Design study of RL10 derivatives. Volume 2: Engine design characteristics

The design characteristics of the RL-10 rocket engine are discussed. The results from critical elements evaluation, baseline engine design, parametric and special study tasks are presented. Critical element evaluation established the feasibility of various engine features such as tank head idle, pumped idle, autogenous tank pressurization, and two-phase pumping. Three baseline engines, derived from the RL-10 were conceptually designed. Parametric life and performance data were generated. Special studies were conducted to establish the impact on the engine design of environment, safety, interchangeability, and maintenance.

Adams, A.↗

Ab initio thermodynamics of Ni and Co incorporation in Mg hydroxide, carbonate, and hydroxycarbonate minerals

Ni and Co are critical elements needed for modern technologies, and a better understanding of the ability of Mg-based minerals to incorporate these elements would benefit strategy development for Ni and Co recovery from mafic and ultramafic deposits. Here, in this work, we performed density functional theory (DFT) calculations of Ni and Co incorporation in six potential products of the carbonation of mafic and ultramafic silicates: brucite (Mg(OH) 2 ), magnesite (MgCO 3 ), nesquehonite (MgCO 3 ⸱3H 2 O), lansfordite (MgCO 3 ⸱5H 2 O), artinite (Mg 2 CO 3 (OH) 2 ⸱3H 2 O), and hydromagnesite (Mg 5 (CO 3 ) 4 (OH) 2 ⸱4H 2 O). The DFT results were used in an ab initio thermodynamics framework to explore the pH 2 O–pCO 2 conditions at which the Mg-based minerals were predicted to be thermodynamically stable and to quantify the Gibbs free energy of Ni and Co substitution at Mg sites. Among the six Mg-based minerals, brucite and magnesite were predicted to have the lowest Ni and Co substitution free energy. An analysis of the effect of temperature indicated that, at low temperature (<100 K), brucite more readily accommodated Ni and Co, while, at higher temperature (>335 K), magnesite more favorably incorporated Ni and Co. Between 100 K and 335 K, Ni was predicted to preferentially substitute for Mg in brucite and Co for Mg in magnesite, thus leading to a driving force for separating Ni and Co in conditions where brucite and magnesite both form. Insights gained in this work could therefore help select experimental conditions that either promote or inhibit incorporation of these critical elements into Mg-based mineral phases.

Critical elements↗

An analysis of pilot error-related aircraft accidents

A multidisciplinary team approach to pilot error-related U.S. air carrier jet aircraft accident investigation records successfully reclaimed hidden human error information not shown in statistical studies. New analytic techniques were developed and applied to the data to discover and identify multiple elements of commonality and shared characteristics within this group of accidents. Three techniques of analysis were used: Critical element analysis, which demonstrated the importance of a subjective qualitative approach to raw accident data and surfaced information heretofore unavailable. Cluster analysis, which was an exploratory research tool that will lead to increased understanding and improved organization of facts, the discovery of new meaning in large data sets, and the generation of explanatory hypotheses. Pattern recognition, by which accidents can be categorized by pattern conformity after critical element identification by cluster analysis.

Kowalsky, N. B.↗

Magnetic properties of Lutetium and Yttrium doped Ce 2 Fe 14 B magnets

The increasing demand for Nd-Dy and Sm-Co based permanent magnets is exacerbating the current critical materials shortage, therefore improving and optimizing current candidate critical element free permanent magnets is necessary to develop future clean energy technologies. In this work, we aim to increase the thermal stability and magnetic performance of Ce 2 Fe 14 B based permanent magnets through the substitution of Ce ions with noncritical rare earth elements Lu and Y. The substitution of Lu (x=0; 0.05; 0.1; 0.15) for Ce ions in (LuxCe 2-x )Fe 14 B was unsuccessful, likely due to disparities in ionic size and valencies, and failed to exhibit improved thermal stability or magnetic performance. In contrast, Y substitution for Ce ions in (Y x Ce 2-x )Fe14B (x= 0.1; 0.2; 0.3; 0.4; 0.5) alloys was successful. Notably, these alloys demonstrated enhanced thermal stability, as evidenced by an increase in the Curie temperature, reaching a peak of 443 K at x= 0.5. Y substitution also helped to suppress the CeFe2 Laves phase. Without loss of the anisotropy field Y substitution increased the saturation magnetization, MS, peaking at MS = 125 emu/g for a Y concentration of x= 0:4, demonstrating (Y 0.4 Ce 1.6 )Fe 14 B as a potential critical element free permanent magnet with an energy product as high as 29 MGOe. This work is advantageous in developing low cost high performance permanent magnets with reduced or little to no critical rare earth elements.

Rai, Binod K.↗