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At least 91 records · Page 5

Diatoms in comets

The fossil record of the microscopic algae classified as diatoms suggests they were injected to earth at the Cretaceous boundary. Not only could diatoms remain viable in the cometary environment, but also many species might replicate in illuminated surface layers or early interior layers of cometary ice. Presumably they reached the solar system on an interstellar comet as an already-evolved assemblage of organisms. Diatoms might cause color changes to comet nuclei while their outgassing decays and revives around highly elliptical orbits. Just as for interstellar absorption, high-resolution IR observations are capable of distinguishing whether the 10-micron feature arises from siliceous diatom material or mineral silicates. The 10-30-micron band and the UV 220-nm region can also provide evidence of biological material.

Hoover, R.↗

Process systems engineering enables efficient and sustainable membrane-based critical material separations

This presentation summarizes work completed over the past year for PrOMMiS Task 2.1. The first half of the preseation motivates the need to develop sustainable critical mineral separation technology, and how PSE is particularly well-suited to tackle this problem. The second half of the presentation presents preliminary results for the custom cost model for diafiltration (2.1) using the superstructure flowsheet developed by Carnegie Mellon University. The presentation serves to emphasize the multi-disciplinary and collaborate nature of developing a circular economy of critical minerals and materials.

Dougher, Molly↗

Development of Luminescent Materials and Instrumentation for Critical Mineral Discovery and Monitoring

Presentation discussing career paths in chemistry as well as how chemical research is applied to address real-world problems. Here, a variety of different materials (metal-organic frameworks, carbon dots, thin films, etc.) are used as luminescent sensors to detect trace quantities of economically critical metals, which are used in applications ranging from renewable energy to national defense. In an application particularly relevant to Western Pennsylvania, the sensor technologies are deployed in coal utilization byproducts including fly ash leachates and acid mine drainage. Taken together, this research presents an exciting path towards reducing the characterization costs associated with metals prospecting and process monitoring, facilitating domestic production of these metals.

analytical chemistry↗

An innovative carbonated cementitious material and its printability and carbon mineralization capacity

The main goal of this research is to develop a carbonated cementitious material (CCMs) mix design and demonstrate its rapid stiffening for manufacturing 3D printed or precast elements for building construction (i.e., concrete with enhanced durability and CO 2 capture efficiency). The material development employs hydrated Ca(OH) 2 , and its distinct reaction with CO 2 to form CaCO 3 . Different formulations and additives including polymer materials enable the thermomechanical properties that give these CCMs 3D printability comparable with cement materials used for similar applications. Here, printable and castable CCM formulations were successfully developed and demonstrated to mineralize CO 2 to form up to 57% CaCO 3 .

36 MATERIALS SCIENCE↗

Some Expected Mechanical Characteristics of Lunar Dust: A Geological View

The engineering properties of the lunar regolith reflect aspects of the original parent rock and the consequences of hypervelocity meteor bombardment. Compared to the Earth the geologic nature of the lunar regolith is quite distinct. On scales relevant to machinery, heterogeneity with respect to size and composition is much higher. But the total range in composition is much more restricted. Both facts have implications for predictions of properties, such as abrasion, which will be required by design engineers for constructing equipment for lunar use. Abrasion is related to hardness and hardness is a commonly measured property for both minerals and engineering materials. Although different hardness scales are routinely employed for minerals and engineering materials, a significant amount of literature is available relating the two. In this paper we discuss how to relate hardness to abrasion for the design of lunar equipment. We also indicate how abundant the various mineral phases are and typical size distributions for lunar regolith.

Rickman, Doug↗

Basic Energy Sciences Roundtable: Foundational Science for Carbon Dioxide Removal Technologies (Brochure)

Basic research to identify and understand the fundamental principles governing carbon dioxide removal processes of capture, conversion, and storage is essential for achieving zero carbon emissions by 2050. In March 2022, the Office of Basic Energy Sciences (BES)—in coordination with the US Department of Energy (DOE) technology Offices of Energy Efficiency and Renewable Energy, Fossil Energy and Carbon Management, and Nuclear Energy—held a roundtable titled, “Foundational Science for Carbon Dioxide Removal Technologies,” to discuss the scientific and technical barriers for CO 2 capture, conversion, and storage. Five priority research opportunities were identified to address these scientific and technical challenges and accelerate progress toward the realization of zero carbon emissions. The PROs are as follows: 1) Master Interfacial Processes of CO2 Transport and Reactivity Across Multiple Length and Time Scales; 2) Create Materials that Simultaneously Exhibit Multiple Properties for CO 2 Capture and Release or Conversion; 3) Discover Unconventional Pathways for Energy-Efficient CO 2 Capture, Release, and Conversion; 4) Control Multiphase Interactions Required for CO 2 Conversion into Minerals and Materials; and 5) Achieve Predictive Understanding of Coupled Processes in Complex Subsurface Geologic Systems for Secure Carbon Storage.

36 MATERIALS SCIENCE↗

The MECA Payload as a Dust Analysis Laboratory on the MSP 2001 Lander

In a companion abstract, the "Mars Environmental Compatibility Assessment" (MECA) payload for Mars Surveyor Program 2001 (MSP 2001) is described in terms of its capabilities for addressing exobiology on Mars. Here we describe how the same payload elements perform in terms of gathering data about surface dust on the planet. An understanding of the origin and properties of dust is important to both human exploration and planetary geology. The MECA instrument is specifically designed for soil/dust investigations: it is a multifunctional laboratory equipped to assess particulate properties with wet chemistry, camera imagery, optical microscopy (potentially with LTV fluorescence capability), atomic force microscopy (AFM; potentially with mineral-discrimination capabilities), electrometry, active & passive external materials-test panels, mineral hardness testing, and electrostatic & magnetic materials testing. Additionally, evaluation of soil chemical and physical properties as a function of depth down to about 50 cm will be facilitated by the Lander/MECA robot arm on which the camera (RAC) and electrometer are mounted. Types of data being sought for the dust include: (1) general textural and grain-size characterization of the soil as a whole --for example, is the soil essentially dust with other components or is it a clast-supported material in which dust resides only in the clast interstices, (2) size frequency distribution for dust particles in the range 0.01 to 10.00 microns, (3) particle-shape distribution of the soil components and of the fine dust fraction in particular, (4) soil fabric such as grain clustering into clods, aggregates, and cemented/indurated grain amalgamations, as well as related porosity, cohesiveness, and other mechanical soil properties, (5) cohesive relationship that dust has to certain types of rocks and minerals as a clue to which soil materials may be prime hosts for dust "piggybacking", (6) particle, aggregate, and bulk soil electrostatic properties, (7) particle hardness, (8) particle magnetic properties, (9) bulk dust geochemistry (solubility, reactivity, ionic and mineral species). All of these quantities are needed in order for the human exploration program to make assessments of hazards on Mars, and to better enable the production on earth, of soil/dust simulants that can act as realistic test materials in terms of those properties that render dust a contaminant.Such properties include the small grain size that enables penetration of space-suit joints, mechanical interfaces and bearings, seals, etc., and presents difficulty for filtration systems. Size also plays a critical role in the potential for lung disease in long-term habitats. The properties of grain shape and hardness are important parameters in determining the abrasiveness of dust as it enters mechanical systems, or bombards helmet visors and habitat windows in dust-laden winds. Adhesive electrostatic and magnetic properties of dust will be prime causes of contamination of space suits and equipment. Contamination causes mechanical malfunction, tracking of dirt into habitats, "piggybacking" of toxins on dust into habitats, changes in albedo and efficiency of solar arrays and heat exchangers, and changes in electrical conductivity of suit surfaces and other materials that may have specific safety requirements regarding electrical conductivity. Other potentially hazardous properties of dust include the possibility of high solubility of some component grains (rendering them reactive), and toxicity of some materials --grains of superoxidants and heavy metals (there is always the slim, but not inconceivable possibility of biogenic components such as spores). Because Mars has no active surface aqueous regime, volcanic emissions, meteoritic debris, weathering products, and photochemical products of Mars have nowhere to go except reside in the surface; there are few mechanical or chemical (buffering) processes to remove the accumulation of eons. From a planetology perspective, there are many enigmatic issues relating to dust and the aeolian regime in general. MECA will be able to address many questions in this area. For example, if MECA determines a particular particle size distribution (size and sorting values), it will be possible to make inferences about the origin of the dust - - is it all aeolian, or a more primitive residue of weathering, volcanic emissions, and meteoritic gardening? Trenching with the Lander/MECA robot arm will enable local stratigraphy to be determined in terms of depositional rates, amounts and cyclicity in dust storms and/or local aeolian transport. Grain shape will betray the origin of the dust fragments as being the product of recent or ancient weathering, or the comminution products of aeolian transport --the dust-silt ratio might be a measure of aeolian comminution energy. Additional information is contained in the original.

Marshall, J.↗

Evidence for Smectite Clays from MSL SAM Analyses of Mudstone at Yellowknife Bay, Gale Crater, Mars

Drilled samples of mudstone from the Sheepbed unit at Yellowknife Bay were analyzed by MSL instruments including the Sample Analysis at Mars (SAM) and Chemistry and Mineralogy (CheMin) instruments in MSL's Analytical Laboratory. CheMin analyses revealed the first in situ X-ray diffraction based evidence of clay minerals on Mars, which are likely trioctahedral smectites (e.g., saponite) and comprise approx 20% of the mudstone sample (e.g., Bristow et al., this meeting). SAM analyses, which heated the mudstone samples to 1000 C and monitored volatiles evolved to perform in situ evolved gas analysis mass spectrometry (EGA-MS), resulted in a H2O trace exhibiting a wide evolution at temperatures < 500 C, and an evolution peak at higher temperatures near approx 750 C. The low temperature H2O evolution has many potential contributors, including adsorbed H2O, smectite interlayer H2O, and structural H2O/OH from bassanite and akaganeite (identified by CheMin) and H2O/OH from amorphous phases in the sample. The high temperature H2O is consistent with the evolution of H2O from the dehydroxylation of the smectite clay mineral. Comparison to EGA-MS data collected under SAM-like conditions on a variety of clay mineral reference materials indicate that a trioctahedral smectite, such as saponite, is most consistent with the high temperature H2O evolution observed. There may also be SAM EGA-MS evidence for a small high temperature H2O evolution from scoop samples from the Yellowknife Bay Rocknest sand shadow bedform. As in the mudstone samples, this evolution may indicate the detection of smectite clays, and the idea that minor clays may be present in Rocknest materials that could be expected to be at least partially derived from local sources is reasonable. But, because smectite clays were not definitively observed in CheMin analyses of Rocknest materials, they must be present at much lower abundances than the approx 20% observed in the mudstone samples. This potential detection underscores the complementary nature of the MSL CheMin and SAM instruments for investigations of martian sample mineralogy. Information on the nature of Yellowknife Bay clay minerals may also be available from the detection of H2 evolved during SAM EGA-MS at high temperature. A likely source of at least some of this H2 is H2O evolved from the smectite clays at high temperature, and it is possible these evolutions can be used in a similar fashion to high temperature H2O releases to provide constraints on the clay minerals in a sample. In addition, the D/H of this high temperature H2, as well as the H2O, can be derived from SAM MS and Tunable Laser Spectrometer (TLS) data, respectively. These D/H values may help to inform the provenance of high and low temperature water evolved from martian samples

McAdam, Amy↗

Generation of macro- and microplastic databases by high-throughput FTIR analysis with microplate readers

Abstract FTIR spectral identification is today’s gold standard analytical procedure for plastic pollution material characterization. High-throughput FTIR techniques have been advanced for small microplastics (10–500 µm) but less so for large microplastics (500–5 mm) and macroplastics (> 5 mm). These larger plastics are typically analyzed using ATR, which is highly manual and can sometimes destroy particles of interest. Furthermore, spectral libraries are often inadequate due to the limited variety of reference materials and spectral collection modes, resulting from expensive spectral data collection. We advance a new high-throughput technique to remedy these problems using FTIR microplate readers for measuring large particles (> 500 µm). We created a new reference database of over 6000 spectra for transmission, ATR, and reflection spectral collection modes with over 600 plastic, organic, and mineral reference materials relevant to plastic pollution research. We also streamline future analysis in microplate readers by creating a new particle holder for transmission measurements using off-the-shelf parts and fabricating a nonplastic 96-well microplate for storing particles. We determined that particles should be presented to microplate readers as thin as possible due to thick particles causing poor-quality spectra and identifications. We validated the new database using Open Specy and demonstrated that additional transmission and reflection spectra reference data were needed in spectral libraries. Graphical abstract

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Making Every Microgram Count: Nanocalorimetry for Nuclear and Ultra-Rare Materials

The thermal analysis of nuclear and ultra-rare materials plays an important role in nuclear energy, planetary, environmental, and technological settings. Heat effects associated with the sample temperature, heat capacity, phase transformation, radiation damage and crystallographic defects are some of the thermochemistry measurements made with conventional differential scanning calorimeters. However, the measurement capabilities of the of traditional DSCs are often restricted when studying limited ultra-rare accessory minerals or materials submitted to extreme conditions, such as radiation in the nuclear fuel cycle and high pressure. We investigate the usage of nanocalorimetry for the energetic analysis of nuclear or ultra-rare materials, such as irradiated materials and high-pressure phases, with an emphasis on radiation damage and heat capacity measurements. Examples of how nanocalorimetry has been previously used for phase transitions, melting, and nucleation in ultra-fast heating and cooling rates are presented. Finally, an outlook of the field and future work, including beneficial safety and environmental outcomes from the potential usage of nanocalorimetry, are shown.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Autonomous elemental characterization enabled by a low cost robotic platform built upon a generalized software architecture

Despite the rapidly growing applications of robots in industry, the use of robots to automate tasks in scientific laboratories is less prolific due to the lack of generalized methodologies and the high cost of hardware. This paper focuses on the automation of characterization tasks necessary for reducing cost while maintaining generalization and proposes a software architecture for building robotic systems in scientific laboratory environments. A dual-layer (Socket.IO and ROS) action server design is the basic building block, which facilitates the implementation of a web-based front end for user-friendly operation and the use of ROS Behavior Trees for convenient task planning and execution. A robotic platform for automating mineral and material sample characterization is built upon the architecture, with an open-source, low-cost three-axis computer numerical control gantry system serving as the main robot. A handheld laser induced breakdown spectroscopy (LIBS) analyzer is integrated with a 3D printed adapter, enabling (1) automated 2D chemical mapping and (2) autonomous sample measurement (with the support of an RGB-Depth camera). We demonstrate the utility of automated chemical mapping by scanning the surface of a spodumene-bearing pegmatite core sample with a 1071-point dense hyperspectral map acquired at a rate of 1520 bits per second. Furthermore, we showcase the autonomy of the platform in terms of perception, dynamic decision-making, and execution, through a case study of LIBS measurement of multiple mineral samples. The platform enables controlled and autonomous chemical quantification in the laboratory that complements field-based measurements acquired with the same handheld device, linking resource exploration and processing steps in the supply chain for lithium-based battery materials.

Cao, Xuan [Lawrence Berkeley National Laboratory (↗

Externally Heated Diamond ANvil Cell Experimentation (EH-DANCE) for studying materials and processes under extreme conditions

Externally heated diamond anvil cells provide a stable and uniform thermal environment, making them a versatile device to simultaneously generate high-pressure and high-temperature conditions in various fields of research, such as condensed matter physics, materials science, chemistry, and geosciences. The present study features the Externally Heated Diamond ANvil Cell Experimentation (EH-DANCE) system, a versatile configuration consisting of a diamond anvil cell with a customized microheater for stable resistive heating, bidirectional pressure control facilitated by compression and decompression membranes, and a water-cooled enclosure suitable for vacuum and controlled atmospheres. This integrated system excels with its precise control of both pressure and temperature for mineral and materials science research under extreme conditions. Here, we showcase the capabilities of the system through its successful application in the investigation of the melting temperature and thermal equation of state of high-pressure ice-VII at temperatures up to 1400 K. The system was also used to measure the elastic properties of solid ice-VII and liquid H 2 O using Brillouin scattering and Raman spectra of carbonates using Raman spectroscopy, highlighting the potential of the EH-DANCE system in high-pressure research.

Instruments & Instrumentation↗

DEM Solutions Develops Answers to Modeling Lunar Dust and Regolith

With the proposed return to the Moon, scientists like NASA-KSC's Dr. Calle are concerned for a number of reasons. We will be staying longer on the planet's surface, future missions may include dust-raising activities, such as excavation and handling of lunar soil and rock, and we will be sending robotic instruments to do much of the work for us. Understanding more about the chemical and physical properties of lunar dust, how dust particles interact with each other and with equipment surfaces and the role of static electricity build-up on dust particles in the low-humidity lunar environment is imperative to the development of technologies for removing and preventing dust accumulation, and successfully handling lunar regolith. Dr. Calle is currently working on the problems of the electrostatic phenomena of granular and bulk materials as they apply to planetary surfaces, particularly to those of Mars and the Moon, and is heavily involved in developing instrumentation for future planetary missions. With this end in view, the NASA Kennedy Space Center's Innovative Partnerships Program Office partnered with OEM Solutions, Inc. OEM Solutions is a global leader in particle dynamics simulation software, providing custom solutions for use in tackling tough design and process problems related to bulk solids handling. Customers in industries such as pharmaceutical, chemical, mineral, and materials processing as well as oil and gas production, agricultural and construction, and geo-technical engineering use OEM Solutions' EDEM(TradeMark) software to improve the design and operation of their equipment while reducing development costs, time-to-market and operational risk. EDEM is the world's first general-purpose computer-aided engineering (CAE) tool to use state-of-the-art discrete element modeling technology for the simulation and analysis of particle handling and manufacturing operations. With EDEM you'can quickly and easily create a parameterized model of your granular solids system. Computer-aided design (CAD) models of real particles can be imported to obtain an accurate representation of their shape. EDEM(TradeMark) uses particle-scale behavior models to simulate bulk solids behavior. In addition to particle size and shape, the models can account for physical properties of particles along with interaction between particles and with equipment surfaces and surrounding media, as needed to define the physics of a particular process.

Dunn, Carol Anne↗

Mesocrystalline Ordering and Phase Transformation of Iron Oxide Biominerals in the Ultrahard Teeth of Cryptochiton stelleri

Biological organisms naturally synthesize complex, hierarchical, multifunctional materials through mineralization processes at ambient conditions and under physiological pH. One such example is the ultrahard and wear-resistant radular teeth found in mollusks, which are used to scape against the rock to feed on algae. Herein, the biologically controlled structural development of the hard, outer magnetite-containing shell of the chitin teeth is revealed. Specifically, the formation of a series of mesocrystalline iron oxide phases, templated by chitin-binding proteins, is identified. The initial domains, consisting of ferrihydrite mesocrystals with a spherulite-like morphology, undergo a solid-state phase transformation to form magnetite while maintaining mesocrystallinity, likely via a shear-induced solid-state reaction, without any noticeable architectural changes. Subsequent growth via Ostwald ripening leads to nearly single-crystalline rod-like elements. In addition, an interpenetrating organic matrix is identified that, at early stages of tooth development, potentially contains iron-binding proteins that guide the self-assembly of the mesocrystalline mineral and influence the preferred orientation of the later-formed magnetite nanorods, which ultimately determines the mechanical behavior of the mature chiton teeth.

36 MATERIALS SCIENCE↗

Optimal experimental design using eigenvalue-based criteria with Pyomo.DoE

New developments in automated optimal experimental design within the PSE+ software ecosystem. Advancements in user experience (to reduce the time taken to perform optimal experiment design) and computational capabilities (allowing more diverse experimental design) are shown with an example relevant to critical minerals and materials. Also, a small tutorial on science-based optimal experimental design and novel contributions therein are presented.

97 MATHEMATICS AND COMPUTING↗

Modeling 238U/204Pb (μ) and Initial Pb of Lunar Meteorite Northwest Africa 12593

Apatite Ca 5 (PO 4 ) 3 (F, Cl, OH) serves as a valuable analytical resource. It is the only nominally hydrous phase on the moon and possesses the capacity to concentrate elements like U, Th, Pb, and rare earth elements (REE). This characteristic facilitates its use in U-Pb and Pb-Pb geochronology, allowing for the determination of the initial isotopic Pb and the -238 U/ -204 Pb ratio (μ) of the parent melt. In situ analysis of apatite grains can provide a detailed record of geochemical changes, revealing the broader petrogenetic and volatile history of the source material. This mineral is particularly informative in understanding the developmental history of its source. In situ analyses are crucial for lunar samples, predominantly composed of breccias, where correlating distinct grains with whole rock analyses poses challenges. This study utilizes in situ apatite isotopic analysis of apatite grains in lunar meteorite Northwest Africa 12593 and model the initial Pb isotopic composition and -238 U/ -204 Pb (μ) of the source. We present in situ Secondary Ionization Mass Spectrometry (SIMS) Pb-Pb analyses of 12 apatite grains in Northwest Africa (NWA) 12593 to test two hypotheses: 1) NWA 12593 clasts and matrix are closely related and from the same source, and 2) the matrix material previously documented as having a highland affinity has a lower modeled μ then KREEP.

K M Lehman Franco↗

The joys and jitters of high‐temperature calorimetry

Abstract High‐temperature calorimetry (HTC) originated in the 20th century as a niche method to enable measurements not easily accomplished with acid solution calorimetry, combustion calorimetry, vapor pressure, or EMF methods. Over time, HTC has evolved into a versatile approach to accurately quantify formation, phase transition, surface and interfacial enthalpies of a wide range of materials including minerals and refractory inorganic compounds. This evolution has been the result of numerous adjustments to experimental setups and procedures, followed by rigorous testing. The commercial availability and the scientific success of this technique have led to an increase in the number of laboratories applying HTC. However, the knowledge acquired by researchers over the past 70 years is scattered throughout the literature or only available as laboratory internal documentation and personal experience. This publication is a collaborative effort among several leading HTC laboratories to summarize and unify current state‐of‐the‐art HTC techniques and procedures. The text starts by summarizing various HT techniques that are commonly used for readers with an interest in HTC in general. It is then directed toward HTC users and includes a brief section on data evaluation procedures as well as a comprehensive compilation of reference data utilizing molten sodium molybdate and lead borate solvents. Finally, for experienced HTC users, an in‐depth discussion of some common difficulties and a discussion of uncertainties are presented.

Scharrer, Manuel [Navrotsky Eyring Center for Mate↗