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All sourcesNASA NTRSDOE OSTI
NASA NTRS2010

Laminar-Turbulent Transition Behind Discrete Roughness Elements in a High-Speed Boundary Layer

Computations are performed to study the flow past an isolated roughness element in a Mach 3.5, laminar, flat plate boundary layer. To determine the effects of the roughness element on the location of laminar-turbulent transition inside the boundary layer, the instability characteristics of the stationary wake behind the roughness element are investigated over a range of roughness heights. The wake flow adjacent to the spanwise plane of symmetry is characterized by a narrow region of increased boundary layer thickness. Beyond the near wake region, the centerline streak is surrounded by a pair of high-speed streaks with reduced boundary layer thickness and a secondary, outer pair of lower-speed streaks. Similar to the spanwise periodic pattern of streaks behind an array of regularly spaced roughness elements, the above wake structure persists over large distances and can sustain strong enough convective instabilities to cause an earlier onset of transition when the roughness height is sufficiently large. Time accurate computations are performed to clarify additional issues such as the role of the nearfield of the roughness element during the generation of streak instabilities, as well as to reveal selected details of their nonlinear evolution. Effects of roughness element shape on the streak amplitudes and the interactions between multiple roughness elements aligned along the flow direction are also investigated.

Choudhari, Meelan M.↗
NASA NTRS2011

Rolling-Element Fatigue Testing and Data Analysis - A Tutorial

In order to rank bearing materials, lubricants and other design variables using rolling-element bench type fatigue testing of bearing components and full-scale rolling-element bearing tests, the investigator needs to be cognizant of the variables that affect rolling-element fatigue life and be able to maintain and control them within an acceptable experimental tolerance. Once these variables are controlled, the number of tests and the test conditions must be specified to assure reasonable statistical certainty of the final results. There is a reasonable correlation between the results from elemental test rigs with those results obtained with full-scale bearings. Using the statistical methods of W. Weibull and L. Johnson, the minimum number of tests required can be determined. This paper brings together and discusses the technical aspects of rolling-element fatigue testing and data analysis as well as making recommendations to assure quality and reliable testing of rolling-element specimens and full-scale rolling-element bearings.

Vlcek, Brian L.↗
NASA NTRS2012

Experimental Study of the Partitioning of Siderophile Elements in a Crystallizing Lunar Magma Ocean

The distributions of trace elements between the lunar interior and pristine crustal rocks were controlled by the composition of starting materials, lunar core formation, and crystallization of the lunar magma ocean (LMO) [1]. This study focuses on the partitioning of highly siderophile elements (HSE) including Re, Os, Ir, Ru, Pt, Rh, Pd and Au as well as the moderately siderophile elements Mo and W, and the lithophile elements of Hf and Sr. Our experiments also include Ga, which can be slightly siderophile, but is mostly considered to be chalcophile. Partitioning of these elements is not well known at the conditions of a crystallizing LMO. Previous studies of HSE partitioning in silicate systems have yielded highly variable results for differing oxygen fugacity (fO2) and pressure [2-4]. For example, under certain conditions Pt is compatible in clinopy-roxene [2] and Rh and Ru are compatible in olivine [3]. The silicate compositions used for these experiments were nominally basaltic. Ruthenium, Rh, and Pd are incompatible in plagioclase under these conditions[4]. However, this latter study was done at extremely oxidizing conditions and at atmospheric pressure, possibly limiting the applicability for consideration of conditions of a crystallizing LMO. In this study we address the effects of pressure and oxygen fugacity on the crystal/liquid partition coefficients of these trace elements. We are especially interested in the plagioclase/melt partition coefficients so that it may be possible to use reverse modeling to constrain the concentrations of these elements in the lunar mantle through their abundances in pristine crustal rocks.

Galenas, M.↗
NASA NTRS2013

Modelling of Equilibrium Between Mantle and Core: Refractory, Volatile, and Highly Siderophile Elements

Siderophile elements have been used to constrain conditions of core formation and differentiation for the Earth, Mars and other differentiated bodies [1]. Recent models for the Earth have concluded that the mantle and core did not fully equilibrate and the siderophile element contents of the mantle can only be explained under conditions where the oxygen fugacity changes from low to high during accretion and the mantle and core do not fully equilibrate [2,3]. However these conclusions go against several physical and chemical constraints. First, calculations suggest that even with the composition of accreting material changing from reduced to oxidized over time, the fO2 defined by metal-silicate equilibrium does not change substantially, only by approximately 1 logfO2 unit [4]. An increase of more than 2 logfO2 units in mantle oxidation are required in models of [2,3]. Secondly, calculations also show that metallic impacting material will become deformed and sheared during accretion to a large body, such that it becomes emulsified to a fine scale that allows equilibrium at nearly all conditions except for possibly the length scale for giant impacts [5] (contrary to conclusions of [6]). Using new data for D(Mo) metal/silicate at high pressures, together with updated partitioning expressions for many other elements, we will show that metal-silicate equilibrium across a long span of Earth s accretion history may explain the concentrations of many siderophile elements in Earth's mantle. The modeling includes refractory elements Ni, Co, Mo, and W, as well as highly siderophile elements Au, Pd and Pt, and volatile elements Cd, In, Bi, Sb, Ge and As.

Righter, K.↗
NASA NTRS2010

Transforming Mean and Osculating Elements Using Numerical Methods

Mean element propagation of perturbed two body orbits has as its mathematical basis averaging theory of nonlinear dynamical systems. Averaged mean elements define the long-term evolution characteristics of an orbit. Using averaging theory, a near identity transformation can be found that transforms the mean elements back to the osculating elements that contain short period terms in addition to the secular and long period mean elements. The ability to perform the conversion is necessary so that orbit design conducted in mean elements can be converted back into osculating results. In the present work, this near identity transformation is found using the Fast Fourier Transform. An efficient method is found that is capable of recovering the osculating elements to first order

averaging↗
NASA NTRS2017

Space Launch System Spacecraft and Payload Elements: Progress Toward Crewed Launch and Beyond

While significant and substantial progress continues to be accomplished toward readying the Space Launch System (SLS) rocket for its first test flight, work is already underway on preparations for the second flight - using an upgraded version of the vehicle - and beyond. Designed to support human missions into deep space, SLS is the most powerful human-rated launch vehicle the United States has ever undertaken, and is one of three programs being managed by the National Aeronautics and Space Administration's (NASA's) Exploration Systems Development division. The Orion spacecraft program is developing a new crew vehicle that will support human missions beyond low Earth orbit (LEO), and the Ground Systems Development and Operations (GSDO) program is transforming Kennedy Space Center (KSC) into a next-generation spaceport capable of supporting not only SLS but also multiple commercial users. Together, these systems will support human exploration missions into the proving ground of cislunar space and ultimately to Mars. For its first flight, SLS will deliver a near-term heavy-lift capability for the nation with its 70-metric-ton (t) Block 1 configuration. Each element of the vehicle now has flight hardware in production in support of the initial flight of the SLS, which will propel Orion around the moon and back. Encompassing hardware qualification, structural testing to validate hardware compliance and analytical modeling, progress is on track to meet the initial targeted launch date. In Utah and Mississippi, booster and engine testing are verifying upgrades made to proven shuttle hardware. At Michoud Assembly Facility (MAF) in Louisiana, the world's largest spacecraft welding tool is producing tanks for the SLS core stage. Providing the Orion crew capsule/launch vehicle interface and in-space propulsion via a cryogenic upper stage, the Spacecraft/Payload Integration and Evolution (SPIE) element serves a key role in achieving SLS goals and objectives. The SPIE element marked a major milestone in 2014 with the first flight of original SLS hardware, the Orion Stage Adapter (OSA) which was used on Exploration Flight Test-1 with a design that will be used again on the first flight of SLS. The element has overseen production of the Interim Cryogenic Propulsion Stage (ICPS), an in-space stage derived from the Delta Cryogenic Second Stage, which was manufactured at United Launch Alliance (ULA) in Decatur, Alabama, prior to being shipped to Florida for flight preparations. Manufacture of the OSA and the Launch Vehicle Stage Adapter (LVSA) took place at the Friction Stir Facility located at Marshall Space Flight Center (MSFC) in Huntsville, Alabama. Marshall is also home to the Integrated Structural Test of the ICPS, LVSA, and OSA, subjecting the stacked components to simulated stresses of launch. The SPIE Element is also overseeing integration of 13 "CubeSat" secondary payloads that will fly on the first flight of SLS, providing access to deep space regions in a way currently not available to the science community. At the same time as this preparation work is taking place toward the first launch of SLS, however, the Space Launch System Program is actively working toward its second launch. For its second flight, SLS will be upgraded to the more-capable Block 1B configuration. While the Block 1 configuration is capable of delivering more than 70 t to LEO, the Block 1B vehicle will increase that capability to 105 t. For that flight, the new configuration introduces two major new elements to the vehicle - an Exploration Upper Stage (EUS) that will be used for both ascent and in-space propulsion, and a Universal Stage Adapter (USA) that serves as a "payload bay" for the rocket, allowing the launch of large exploration systems along with the Orion spacecraft. Already, flight hardware is being prepared for the Block 1B vehicle. Welding is taking place on the second rocket's core stage. Flight hardware production has begun on booster components. An RS-25 engine slated for that flight has been tested. Development work is taking place on the EUS, with contracts in place for both the stage and the RL10 engines which will power it. (The EUS will use four RL10 engines, an increase from one on the ICPS.) For the crew configuration of the Block 1B vehicle, the SLS SPIE element is managing the USA and accompanying Payload Adapter, which will accommodate both large payloads co-manifested with Orion and small-satellite secondary payloads. This co-manifested payload capacity will be instrumental for missions into the proving ground around the moon, where NASA will test new systems and demonstrate new capabilities needed for human exploration farther into deep space.

Schorr, Andrew A.↗
NASA NTRS2017

Space Launch System Spacecraft and Payload Elements: Progress Toward Crewed Launch and Beyond

While significant and substantial progress continues to be accomplished toward readying the Space Launch System (SLS) rocket for its first test flight, work is already also underway on preparations for the second flight - using an upgraded version of the vehicle - and beyond. Designed to support human missions into deep space, Space Launch System (SLS), is the most powerful human-rated launch vehicle the United States has ever undertaken, and is one of three programs being managed by the National Aeronautics and Space Administration's (NASA's) Exploration Systems Development division. The Orion spacecraft program is developing a new crew vehicle that will support human missions beyond low Earth orbit (LEO), and the Ground Systems Development and Operations program is transforming Kennedy Space Center into a next-generation spaceport capable of supporting not only SLS but also multiple commercial users. Together, these systems will support human exploration missions into the proving ground of cislunar space and ultimately to Mars. For its first flight, SLS will deliver a near-term heavy-lift capability for the nation with its 70-metric-ton (t) Block 1 configuration. Each element of the vehicle now has flight hardware in production in support of the initial flight of the SLS, which will propel Orion around the moon and back. Encompassing hardware qualification, structural testing to validate hardware compliance and analytical modeling, progress in on track to meet the initial targeted launch date. In Utah and Mississippi, booster and engine testing are verifying upgrades made to proven shuttle hardware. At Michoud Assembly Facility in Louisiana, the world's largest spacecraft welding tool is producing tanks for the SLS core stage. Providing the Orion crew capsule/launch vehicle interface and in-space propulsion via a cryogenic upper stage, the Spacecraft/Payload Integration and Evolution (SPIE) element serves a key role in achieving SLS goals and objectives. The SPIE element marked a major milestone in 2014 with the first flight of original SLS hardware, the Orion Stage Adapter (OSA) which was used on Exploration Flight Test-1 with a design that will be used again on the first flight of SLS. The element has overseen production of the Interim Cryogenic Propulsion Stage (ICPS), an in-space stage derived from the Delta Cryogenic Second Stage, which was manufactured at United Launch Alliance in Decatur, Alabama, prior to being shipped to Florida for flight preparations. Manufacture of the Orion Stage Adapter and the Launch Vehicle Stage Adapter (LVSA) took place at the Friction Stir Facility located at Marshall Space Flight Center in Huntsville, Alabama. Marshall is also home to the Integrated Structural Test of the ICPS, LVSA, and OSA, subjecting the stacked components to simulated stresses of launch. The SPIE Element is also overseeing integration of 13 "CubeSat" secondary payloads that will fly on the first flight of SLS, providing access to deep space regions in a way currently not available to the science community. At the same time as this preparation work is taking place toward the first launch of SLS, however, the Space Launch System Program is actively working toward its second launch. For its second flight, SLS will be upgraded to the more-capable Block 1B configuration. While the Block 1 configuration is capable of delivering more than 70 metric tons to low Earth orbit, the Block 1B vehicle will increase that capability to 105 t. For that flight, the new configuration introduces two major new elements to the vehicle - an Exploration Upper Stage (EUS) that will be used for both ascent and in-space propulsion, and a Universal Stage Adapter (USA) that serves as a "payload bay" for the rocket, allowing the launch of large exploration systems along with the Orion spacecraft. Already, flight hardware is being prepared for the Block 1B vehicle. Welding is taking place on the second rocket's core stage. Flight hardware production has begun on booster components. An RS-25 engine slated for that flight has been tested. Development work is taking place on the Exploration Upper Stage, with contracts in place for both the stage and the RL10 engines which will power it. (The EUS will use four RL10 engines, an increase from one on the ICPS.) For the crew configuration of the Block 1B vehicle, the SLS SPIE element is managing the USA and accompanying Payload Adapter, which will accommodate both large payloads co-manifested with Orion and small-satellite secondary payloads. This co-manifested payload capacity will be instrumental for missions into the Proving Ground around the moon, where NASA will test new systems and demonstrate new capabilities needed for human exploration farther into deep space.

Schorr, Andrew A.↗
NASA NTRS2020

Effect of Pressure on the Activity Coefficients of Au and Other Siderophile Elements in Liquid Fe-Si Alloys

Light elements can alloy into the iron cores of terrestrial planetary bodies. It is estimated that the Earth’s core contains ~10% of a light element, most likely a combination of S, C, Si, and O with Si probably being the most abundant. Si dissolved into Fe metal liquids can have a significant influence on the activity coefficients of siderophile elements, and thus the partitioning behavior of those elements between the core and mantle. Many of these elements have been investigated extensively at ambient pressure, and studies up to 1 GPa are becoming more common, but few have been studied at pressures above this. The formation of the Earth’s core has been estimated to have formed at pressures between 40-60 GPa, so investigating the effect pressure has on Si’s influence on siderophile element partitioning is important for modeling core formation in the Earth and smaller planets. Pressure is well known to influence volumetric properties of metallic and silicate liquids, and oxygen fugacity (e.g., [10,11]), but less is known about its effect on activity coefficients (e.g., [12]). Some activity coefficients depend strongly upon the Si content of Fe liquids, and the concentration of siderophile elements such as P, Sb, and As in the terrestrial mantle is easily influenced by dissolved Si in the core. Thus, isolating the effect of pressure on activity coefficients in general is critical in quantitative analysis of core formation models. In this work, we investigate the effect variable Si content has on the partitioning of Au between Fe metal and silicate melt at 10 GPa and 2373 K, with the intention of comparing the behavior to that already investigated at lower pressures. In addition, P, V, Mn, Ga, Zn, Cd, Sn, W, Pb, and Nb were also measured and could thus be included in the assessment of potential pressure effects.

Righter, K.↗
NASA NTRSDate not supplied

Overview of the Predictive Simulation Capability Element of the Plume Surface Interaction Project

As part of the Game Changing Development (GCD) Program, funded by NASA’s Space Technology Mission Directorate (STMD), the development of simulation capability for the prediction of extra-terrestrial Plume Surface Interaction (PSI) environments has been undertaken by the Fluid Dynamics Branch at NASA/MSFC. The GCD PSI Project, planned to be completed over a four year period, contains a Predictive Simulation Capability (PSC) Element focused on creating simulation capability for the reliable and accurate prediction of PSI in Martian (~650 Pa) and Lunar (vacuum) ambient environments. In addition to the PSC Element, the GCD Program also contains a companion Ground Testing Element for development of focused datasets for validation of predictive capability as well as a Flight-focused Instrumentation Element. This paper describes the PSC Element of the PSI Project as well as providing descriptions of recent accomplishments and remaining work. The overall structure of the PSC Element is broken down into four areas of focus. The first area is the Prediction of Plume Flow in low pressure environments. The development approach taken is the augmentation of the existing production-mode computational fluid dynamics (CFD) tool Loci/Chem, with targeted extensions necessary to accurately model rarefied conditions found in both Martian and Lunar applications. Production readiness and validation of predictive capability are the major objectives of this task. The second area is the effect of mixed continuum/rarefied flow on crater development and ejecta sheets. A new CFD application, Loci/GGFS (Gas Granular Flow Solver), is being developed which implements an Eulerian/Eulerian two-phase model of gas- and soil-phases in order to simulate the soil erosion, crater formation, and soil ejecta transport in a fully coupled simulation. This task seeks to verify Loci/GGFS is production-ready as well as perform validation studies to determine the degree of predictive capability achieved by Loci/GGFS. The third area is focused on the details and extension of particle phase modeling of soil. In this task, Discrete Element Modeling (DEM) techniques are used to perform direct simulations of complex soil particles under the action of forcing similar to that to be cause by PSI. The simulation results are then used to construct closures to the Eulerian model of the soil phase used by Loci/GGFS. The fourth area is gas-particle interaction modeling. In this task, experiments are being conducted as well as detailed simulation results are being studied to further understand the complexities of gas-particle interactions in dilute, intermediate, and high soil volume fraction regimes. Improved models of particle drag and the particle turbulent kinetic energy (PTKE) resulting from the interaction of gas flows within particle clouds are the objective of this task.

Jeff West↗
NASA NTRS2026

Gateway Element and Payload Materials Outgassing Analyses: HALO, HERMES, and ERSA

Gateway was intended to be humanity’s first space station around the Moon, but its development has been paused as the National Aeronautics and Space Administration (NASA) shifts focus to achieving the United States’ National Space Policy goals. Instead of an orbiting lunar outpost, NASA will now pursue the development of a lunar surface base to support a sustained human presence on the Moon. Before the program’s pause, Gateway’s Induced Environments team worked to ensure payloads and elements (i.e., modules) complied with induced environment requirements. Methods developed and insights gained from this work will have applicability to NASA’s Moon Base and the potential repurposing of Gateway elements and payloads, as well as to induced environments modeling for future space stations. The Gateway program’s induced environment included molecular contamination, electric thruster plume sputter and redeposition, and lunar dust transfer from the Human Landing System (HLS). Primary sources of external molecular contamination included materials outgassing, chemical thruster plume contamination, and vacuum venting. The focus of this paper will be on element- and payload-level materials outgassing analyses performed for Gateway Configuration 1, extending the previously-developed framework for Gateway system-level external molecular contamination modeling. Gateway Configuration 1 consisted of the Power and Propulsion Element (PPE) and the Habitation and Logistics Outpost (HALO). It also included payloads like the European Radiation Sensor Array (ERSA) attached to PPE and the Heliophysics Environmental and Radiation Measurement Experiment Suite (HERMES) attached to HALO. The element- and payload-level analyses to be introduced in this paper for HALO, HERMES, and ERSA enabled high-fidelity descriptions of Gateway’s external molecular contamination environment. Approaches to geometric modeling, meshing, outgassing rate assignment, molecular transport modeling, and analysis methodology will be presented. Element and payload contaminant deposition onto sensitive Gateway receiver surfaces will be summarized and results compared to induced environment requirements. While these results incorporate refinements made over the course of the program, they were not intended to be final. Therefore, modeling assumptions and inputs, potential improvements, and lessons-learned will be documented to inform future work on Moon Base, repurposed elements and payloads, and other space stations.

Gateway↗
DOE OSTI2022

Analog vector-matrix multiplication by capacitive elements with resistive state storage

An array circuit includes a plurality of vector-matrix multiplication (VMM) elements arranged in rows and columns. The VMM elements are configured to collectively perform multiplication of an input vector by a programmed input matrix to generate a plurality of output values that are representative of a result matrix that is the result of multiplication of the input vector and the input matrix. The VMM elements store states of the input matrix. Input voltages to the array are representative of elements of the input vector. A VMM element draws charge from a column read line based upon charging of a capacitor in the VMM. An integrator circuit connected to the column read line outputs a voltage that is indicative of a total charge drawn from the column read line by elements connected to the read line, which voltage is further indicative of an element of a result matrix.

Agarwal, Sapan↗
DOE OSTI2023

Rare Earth Element—Aluminum Alloys

An alloy includes aluminum, a rare earth element, and an alloying element selected from the following: Si, Cu, Mg, Fe, Ti, Zn, Zr, Mn, Ni, Sr, B, Ca, and a combination thereof. The aluminum (Al), the rare earth element (RE), and the alloying element are characterized by forming at least one form of an intermetallic compound. An amount of the rare earth element in the alloy is in a range of about 1 wt. % to about 12 wt. %, and an amount of the alloying element in the alloy is greater than an amount of the alloying element present in the intermetallic compound.

Moore, Emily E.↗
DOE OSTI2024

A layered solid finite element formulation with interlaminar enhanced displacements for the modeling of laminated composite structures

Accurate modeling of layered composite structures often requires the use of detailed finite element models which can sufficiently resolve the kinematics and material behavior within each layer of the composite. However, individually discretizing each material layer into finite elements presents a prohibitive computational expensive given the large number of thin layers comprising some laminated composites. To address these challenges, an 8-node layered solid hexahedral finite element is formulated with the aim of striking an appropriate balance between efficiency and fidelity. The element is discretized into an arbitrary number of distinct material layers, and employs reduced in-plane integration within each layer. The chosen reduced integration scheme is supplemented by a novel physical stabilization approach which includes layerwise enhancements to mitigate various forms of locking phenomena. The proposed framework additionally supports the inclusion of interlaminar enhanced displacements to better represent the kinematics of general layered composite materials. Finally, the described element formulation has been implemented in the ParaDyn finite element code, and its efficacy for modeling laminated composite structures is demonstrated on a variety of verification problems.

42 ENGINEERING↗
DOE OSTI2023

Scripts and data associated with a manuscript linking soil and sediment elemental composition with dissolved organic matter chemistry across CONUS

This data package provides scripts and geochemical data for a manuscript titled “Linkages between mineral element composition of soils and sediments with hyporheic zone dissolved organic matter chemistry across the contiguous United States” (preprint: doi: 10.22541/essoar.169447343.31694990/v1). This data is associated with the Worldwide Hydrobiogeochemistry Observation Network for Dynamic River Systems (WHONDRS, https://whondrs.pnnl.gov) and is an extension of the Summer 2019 Sampling campaign which crowdsourced samples from rivers and sediment across the continental United States. Data from this study can be found at https://data.ess-dive.lbl.gov/datasets/doi:10.15485/1603775 and https://data.ess-dive.lbl.gov/datasets/doi:10.15485/1729719. The main objective of this manuscript was to couple sediment water extractable dissolved organic matter chemistry, defined by ultra-high resolution mass spectrometry, with localized sediment elemental composition and watershed scale soil elemental characteristics. This data package contains one main folder with four subfolders. The main data folder contains (1) readme; (2) data dictionary (dd); (3) file-level metadata (flmd); (4) an R markdown to reproduce manuscript figures and analyses; (5) a pdf of instructions to reproduce NGS interpolations with ArcGIS software; and (6) a python script to reproduce NGS extrapolations with python. The four subfolders contain files required to reproduce NGS extrapolations include (1) ‘CONUS_boundaries’ containing boundary layers (.shp) for the Continental United States; (2) ‘ngs_project’ containing files (.shp) with point level NGS soil elemental data (Grossman et al., 2004); (3) ‘raster_outputs’ containing the interpolated raster output files for various soil elements; and (4) ‘NGS_Chemistry_Final’ contain final extracted soil elemental data.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Arbitrary Order Virtual Element Methods for High‐Order Phase‐Field Modeling of Dynamic Fracture

ABSTRACT Accurate modeling of fracture nucleation and propagation in brittle and ductile materials subjected to dynamic loading is important in predicting material damage and failure under extreme conditions. Phase‐field fracture models have garnered a lot of attention in recent years due to their success in representing damage and fracture processes in a wide class of materials and under a variety of loading conditions. Second‐order phase‐field fracture models are by far the most popular among researchers (and increasingly, among practitioners), but fourth‐order models have started to gain broader acceptance since their more recent introduction. The exact solution corresponding to these high‐order phase‐field fracture models has higher regularity. Thus, numerical solutions of the model equations can achieve improved accuracy and higher spatial convergence rates. In this work, we develop a virtual element framework for the high‐order phase‐field model of dynamic fracture. The virtual element method (VEM) can be regarded as a generalization of the classical finite element method. In addition to many other desirable characteristics, the VEM allows computing on polytopal meshes. Here, we use ‐conforming virtual elements and the generalized‐ time integration method for the momentum balance equation, and adopt ‐conforming virtual elements for the high‐order phase‐field equation. We verify our virtual element framework using classical quasi‐static benchmark problems and demonstrate its capabilities with the aid of numerical simulations of dynamic fracture in brittle materials.

42 ENGINEERING↗
DOE OSTI2020

Sorption of rare-earth elements onto a ligand-associated media for pH-dependent extraction and recovery of critical materials

Toward recovering rare-earth elements, we prepared a solid-phase media that binds and elutes metals for extraction and enrichment. We report the synthesis and methodology for a solid-phase media that exhibits pH-dependent binding of aqueous rare-earth elements. The media shows pH-dependent binding of Nd III and retains efficiency over at least six cycles of binding and elution. Mixed solutions of rare-earth elements demonstrated a preference for mid and heavy rare-earth elements based on thermodynamic binding preferences of the ligand, and selectivity for rare-earth elements over iron and aluminum were observed with coal fly ash leachate. In conclusion, we expect this new recovery method to be a significant step towards aqueous-based extraction and enrichment of critically important rare-earth elements.

01 COAL, LIGNITE, AND PEAT↗
DOE OSTI2024

Tailoring Local Chemical Ordering via Elemental Tuning in High-Entropy Alloys

Due to the large multi-elemental space desired for property screening and optimization, high-entropy alloys (HEAs) hold greater potential over conventional alloys for a range of applications, such as structural materials, energy conversion, and catalysis. However, the relationship between the HEA composition and its local structural/elemental configuration is not well understood, particularly in noble-metal-based HEA nanomaterials, hindering the design and development of nano-HEAs in energy conversion and catalysis applications. In this work, we determined precise atomic-level structural and elemental arrangements in model HEAs composed of RhPtPdFeCo and RuPtPdFeCo to unveil their local characteristics. Notably, by changing just one constituent element in the HEA (Rh to Ru), we found dramatic changes in the elemental arrangement from complete random mixing to a local single elemental ordering feature. Additionally, we demonstrate that the local ordering in RuPtPdFeCo can be further controlled by varying the Ru concentration, allowing us to toggle between local Ru clustering and distinct heterostructures in multicomponent systems. Overall, our study presents a practical approach for manipulating local atomic structures and elemental arrangements in noble-metal-based HEA systems, which could provide in-depth knowledge to mechanistically understand the functionality of noble-metal-based HEA nanomaterials in practical applications.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Exploration of LIBS as a novel and rapid elemental mapping technique of nuclear fuels in the form of surrogate TRISO particles

Laser-induced breakdown spectroscopy (LIBS) was employed to characterize coatings on surrogate fuel particles. Tri-structural isotropic (TRISO) particles are a proposed nuclear fuel alternative for high temperature reactors. These particles are constructed of a ZrO 2 kernel (as a surrogate to uranium), surrounded by an inner pyrolytic carbon layer and are surrounded by an outer carbide layer (ZrC, presented here) to act as a barrier to fission products generated during nuclear reactions. These particles are embedded within a graphite compact and housed within the reactor core. Simply put, due to their robust nature, performing elemental analysis of these particles poses a challenge. Presented here, LIBS is explored as a method for characterizing elemental constituents of these particles, with the focus being on rapid elemental mapping and depth profiling. Different from traditional elemental analysis techniques (e.g., inductively coupled plasma – based methods), LIBS is advantageous because it can directly analyze the sample surface and can detect light elements such as C and O, making it a viable technique for the analysis of small, multilayered particles as spatial elemental information is warranted in the production of these particles. In the work presented here, LIBS was successfully used for discerning small layers (30–50 μm), detecting the location of carbon and oxygen layers, providing fast 2-D mapping (<5 min per particle) and rapid depth profiling (10 s per particle).

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗