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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 847 records · Page 47
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

A new benchmark of soft X-ray transition energies of $$\mathrm {Ne}$$, $$\mathrm {CO}_2$$, and $$\mathrm {SF}_6$$: paving a pathway towards ppm accuracy

Abstract A key requirement for the correct interpretation of high-resolution X-ray spectra is that transition energies are known with high accuracy and precision. We investigate the K-shell features of $$\mathrm {Ne}$$ Ne , $$\mathrm {CO}_2$$ CO 2 , and $$\mathrm {SF}_6$$ SF 6 gases, by measuring their photo ion-yield spectra at the BESSY II synchrotron facility simultaneously with the 1s– n p fluorescence emission of He-like ions produced in the Polar-X EBIT. Accurate ab initio calculations of transitions in these ions provide the basis of the calibration. While the $$\mathrm {CO}_2$$ CO 2 result agrees well with previous measurements, the $$\mathrm {SF}_6$$ SF 6 spectrum appears shifted by $$\sim $$ ∼ 0.5 eV, about twice the uncertainty of the earlier results. Our result for $$\mathrm {Ne}$$ Ne shows a large departure from earlier results, but may suffer from larger systematic effects than our other measurements. The molecular spectra agree well with our results of time-dependent density functional theory. We find that the statistical uncertainty allows calibrations in the desired range of 1–10 meV, however, systematic contributions still limit the uncertainty to $${\sim }$$ ∼ 40–100 meV, mainly due to the temporal stability of the monochromator energy scale. Combining our absolute calibration technique with a relative energy calibration technique such as photoelectron energy spectroscopy will be necessary to realize its full potential of achieving uncertainties as low as 1–10 meV. Graphical abstract

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2023

Amplitude/operator basis in chiral perturbation theory

We establish a systematic construction of the on-shell amplitude/operator basis for Chiral Perturbation Theory (ChPT) in D = 4 spacetime dimensions and with an arbitrary number of flavors N f . For kinematic factors, we employ spinor-helicity variables to construct the soft blocks, which are local amplitudes satisfying the Adler’s zero condition, as well as to take into account the reduction in the kinematic basis due to the Gram determinant, which arises at O(p 10 ) when the number of multiplicity N in an amplitude becomes large: N > D. For flavor factors, we include group-theoretic relations at small N f , N f ≤ N, which decreases the flavor basis. The result is obtained by adapting the Young tensor method of constructing the operator basis for generic effective field theories to the case of non-linearly realized symmetries. Working in the massless quark limit, we present purely mesonic operators for both even- and odd-parity at O(p 6 ) and O(p 8 ) for N = 6 and arbitrary N f , and establish a direct correspondence between the amplitude basis and the operator basis. Furthermore, the redundancy due to the Gram determinant is studied at O(p 10 ) for N = 6, 8 and 10.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2025

Stability and convergence of nuclear detonations in white dwarf collisions

We investigate the numerical stability of thermonuclear detonations in 1D accelerated reactive shocks and 2D binary collisions of equal-mass magnetized and unmagnetized white dwarf stars. To achieve high resolution at initiation sites, we devised geometric gridding and mesh velocity strategies specially adapted to the unique requirements of head-on collisional geometries, scenarios in which one expects maximum production of iron-group products. We study the effects of grid resolution and the limiting of temperature, energy, and reactants for different stellar masses, separations, magnetic fields, inigenerationtial compositions, detonation mechanisms, and limiter parameters across a range of cell sizes from 1 to 100 km. Our results set bounds on the parameter space of limiter amplitudes for which both temperature- and energy-limiting procedures yield consistent and monotonically convergent solutions. Within these bounds, we find that grid resolutions of 5 km or better are necessary for uncertainties in total released energy and iron-group products to drop below 10%. Intermediate-mass products (e.g., calcium) exhibit similar convergence trends but with somewhat greater uncertainty. These conclusions apply equally to pure C/O white dwarfs, multispecies compositions (including helium shells), magnetized and unmagnetized cores, and either single or multiple detonation scenarios.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

Density changes in amorphous silicon induced by swift heavy ions

For this study, pure and gold-doped amorphous silicon membranes were irradiated with swift heavy ions (75 MeV Ag or 1.1 GeV Au ions) and studied using small-angle x-ray scattering. The samples that were irradiated with 1.1 GeV Au ions produced a scattering pattern consistent with core-shell-type ion tracks of 2.0 ± 0.1 nm (core) and 7.0 ± 0.3 nm (total) radius irrespective of gold doping, consistent with radii previously observed. The density in the core is nearly 4% different from that of the surrounding material. The entire track (core + shell) is slightly less dense than the surrounding material, yielding an expansion or hammering constant A of 0.036 ± 0.003 nm 2 per ion track, consistent with the macroscopic “hammering” deformation. No tracks were found in samples irradiated with 75 MeV Ag ions, and no signature specific to the gold impurity doping could be observed.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

Beyond standard model particles in the atmospheric flux: a long-lived stau example

We discuss fluxes of long-lived supersymmetric (SUSY) particles produced in the atmosphere from ultra-high energy cosmic-ray interactions with air nuclei. We consider long-lived particle production which proceeds first via the on-shell formation of heavier particles in the SUSY spectrum and then their decays. Specifically, we focus on the production of stau pairs from the decays of squarks produced in the initial cosmic ray-air collision under the purview of gauge-mediated symmetry breaking models that have the stau as the next-to-lightest SUSY particle. The calculation of the resulting stau flux schematically mirrors that of prompt atmospheric neutrino production, however, with the energy scale of initial hadronic collision set to EeV energy scales of the incident cosmic rays rather than the PeV energies where the prompt atmospheric neutrino fluxes dominate over neutrino fluxes from pions and kaons, and with the appropriate stau production cross section. We show the effect of accounting for the energy distribution of the staus relative to the squark energy distributions. We discuss the potential for future ultra-high energy detectors similar in scope to IceCube-Gen2 to detect atmospheric staus via tracks going through the detector volume. Current collider constraints on stau pair production within the SUSY framework considered here are more constraining than those from a detector like IceCube-Gen2 over ten years.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2020

First Field Measurements of the 15 T Nb 3 Sn Dipole Demonstrator MDPCT1

Within the US Magnet Development Program (MDP) a 15 T Nb 3 Sn dipole was developed, to demonstrate a magnet design for a post-LHC pp Collider. Specifically, the magnet design is based on 60 mm aperture 4-layer shell-type coils, graded between the inner and outer layers to maximize the magnet performance. The cable in the two innermost layers has 28 strands 1.0 mm in diameter and the cable in the two outermost layers has 40 strands 0.7 mm in diameter. Both cables use RRP Nb3Sn wires produced by Bruker-OST. Magnet coils are surrounded by vertically-split thick iron laminations, con-nected by aluminum I-clamps, and a thick stainless-steel skin. The magnet was tested at the Vertical Magnet Test Facility (VMTF) at Fermilab. This paper reports the first results of magnetic measure-ments of the 15 T Nb 3 Sn dipole demonstrator including geometrical harmonics, coil magnetization and iron saturation effects. The ex-perimental data are compared with the magnetic calculations.

43 PARTICLE ACCELERATORS↗
DOE OSTI2026

Observing the effects of numbers of valence nucleons on 0$^{+}_{𝑔⁡𝑠}$ → 2$^{+}_{1}$ transitions in deformed nuclei by comparing proton and neutron transition matrix elements

We examined the ratios of neutron and proton transition matrix elements, 𝑀 𝑛 /𝑀 𝑝 , for the 0$^{+}_{𝑔⁡𝑠}$ → 2$^{+}_{1}$ transitions in 48 even-even stable nuclei with 𝑁 > 20 for which electromagnetic matrix elements were compiled by Pritychenko et al. and for which high-quality inelastic proton-scattering data were available. Several deformed rare-earth nuclei have (𝑀 𝑛 /𝑀 𝑝 )/(𝑁/𝑍) values significantly below 1.0, which is not consistent with a simple liquid-drop picture. However, this phenomenon can be explained using a schematic picture in which 𝑀 𝑝 reaches a maximum at proton midshell (𝑍 = 66) and 𝑀𝑛 reaches its maximum at neutron midshell (𝑁 = 104). Several midmass vibrational nuclei have 𝑀 𝑛 /𝑀 𝑝 values significantly below 𝑁/𝑍, which is not consistent with the expectation that 𝑀 𝑛 /𝑀 𝑝 = 𝑁/𝑍 in such nuclei. As a result, a shell-model investigation of these observations might yield insights about this behavior.

Collective levels↗
DOE OSTI2025

The impact of capillary heterogeneity on CO 2 flow and trapping across scales

Capillary heterogeneity has been identified over the last decade as a key control on subsurface CO 2 flow behavior during geological CO 2 sequestration. These heterogeneities can be formed in all sedimentary rocks, ranging from slight variations in the sand grain sizes to extensive sequences of interbedded sands, shales, and limestones. Capillary heterogeneity has been largely, although not entirely, overlooked in subsurface flow modeling because it is assumed to only directly influence fluid redistribution over scales of centimeters to meters. However, even small-scale fluid movements can result in dramatic impacts on the mobility and trapping of the CO 2 over kilometers. Therefore, neglecting capillary heterogeneity at multiple scales could potentially lead to errors in modeling and predicting field-scale plume migration. In this review paper, we aim to provide a consistent overview to (1) establish that capillary heterogeneity can have a major impact on CO 2 plume migration, (2) establish the respective length scales at which capillary heterogeneity matters, and (3) provide guidance for numerical modeling. This review covers pertinent literature and extracts key observations from the core to the field scales. Experimental studies have shown that millimeter-decimeter scale capillary heterogeneity can cause the so-called capillary heterogeneity trapping in addition to pore-scale residual trapping. Even at such a small scale, capillary heterogeneity can already lead to complex upscaled constitutive relationships, such as flow-rate dependent and anisotropic relative permeability, which affects field-scale CO 2 migration even when field-scale heterogeneities are present. Under gravity-dominated flow regimes, centimeter-meter scale capillary heterogeneity can entrap a significant amount of CO 2 at field scale, not just after imbibition but also during drainage. In certain cases, the presence of capillary heterogeneity can even completely stop the vertical movement of the CO 2 plume, hence greatly reducing leakage risks. At meter-kilometer scale, the influence of capillary heterogeneity is more pronounced and can hinder or redirect CO 2 migration in both lateral and vertical directions. The impact of capillary heterogeneity across multiple spatial scales poses a great challenge in modeling CO 2 migration at field scale, because it is practically impossible to build a field-scale earth model with grid blocks at millimeter scale. We recommend a hierarchical modeling approach to address this challenge. At field scale, earth models are built to capture geological features and heterogeneities in high but still practical grid resolutions. For each facies or rock type of the field-scale model, high- resolution meter-scale “conceptual” models are built with millimeter-scale grid blocks to capture representative fine-scale bedding geometries and heterogeneities in various environments of deposition, bridging the gap from subcore scale to the size of a field-scale simulation grid block. Upscaling is then used to preserve the smaller-scale flow dynamics of various rock types in field-scale simulations. Here, future work is needed to (1) refine, improve, and validate the hierarchical modeling approach; (2) build libraries of fine-scale bedding models for facies in various environments of deposition; (3) quantify multiscale capillary heterogeneity effects under subsurface uncertainties; (4) gain learning from different storage formations; and (5) establish best practices that balance accuracy and computational speed.

Capillary heterogeneity↗
DOE OSTI2024

Sulfur-Enriched Nanoporous Carbon: A Novel Approach to CO 2 Adsorption

Carbon dioxide (CO 2 ) intake plays a vital role in sustaining the environmental balance by influencing global carbon dynamics and climatic stability. This work addresses the production of sulfur-doped porous nanocarbons (SDCs) as prospective sorbents for CO 2 capture. SDCs were fabricated by utilizing coconut shell as a carbon precursor and potassium persulfate as both a chemical activating agent and a sulfur dopant. The incorporation of sulfur functionalities into carbon matrices creates structural variability and active sites, boosting CO 2 absorption capabilities. Sulfur's peculiar electrical structure allows greater intermolecular interactions with CO 2 , enhancing adsorption affinities. According to the experimental data, the CO 2 uptake was best measured as 3.37 mmol/g at 0(degrees)C and 1 bar and 2.56 mmol/g at 25 C-degrees and 1 bar. The results show that the higher porosity of SDC materials adds to a large amplification in the CO 2 uptake capability. The work underlines the delicate interaction between sulfur doping, morphological porosity, and surface reactivity in enhancing the effectiveness of CO 2 sequestration. SDC materials hold considerable promise in tackling the present ecological concerns and developing CO 2 collection techniques. The suggested single-step synthesis technique described here provides a sustainable and environmentally friendly method for synthesizing SDCs for carbon capture applications.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

QM Investigation of Rare Earth Ion Interactions with First Hydration Shell Waters and Protein-Based Coordination Models

Here, conventional methods for extracting rare earth metals (REMs) from mined mineral ores are inefficient, expensive, and environmentally damaging. Recent discovery of lanmodulin (LanM), a protein that coordinates REMs with high-affinity and selectivity over competing ions, provides inspiration for new REM refinement methods. Here, we used quantum mechanical (QM) methods to investigate trivalent lanthanide cation (Ln 3+ ) interactions with coordination systems representing bulk solvent water and protein binding sites. Energy decomposition analysis (EDA) showed differences in the energetic components of Ln 3+ interaction with representatives of solvent (water, H 2 O) and protein binding sites (acetate, CH 3 COO – ), highlighting the importance of accurate description of electrostatics and polarization in computational modeling of REM interactions with biological and bioinspired molecules. Relative binding free energies were obtained for Ln 3+ with coordination complexes originating from binding sites in PDB structures of a lanthanum binding peptide (PDB entry 7CCO) and LanM, with explicit consideration of the first hydration shell waters, according to quasi-chemical theory (QCT). Beyond the first shell, the bulk solvent environment was represented with an implicit continuum model. Ln 3+ interactions with (H 2 O) 9 and both binding site models became more favorable, moving down the periodic series. This trend was more pronounced with the protein binding site models than with water, resulting in affinity increasing with periodic number, except for the last REM, Lu 3+ , which bound less favorably than the preceding element, Yb 3+ . Using the truncated 7CCO binding site model, the magnitude and trend of the experimental Ln 3+ relative binding free energies for the whole 7CCO peptide were reproduced. Conversely, the previously reported experimental data for LanM show a preference for the earlier lanthanides; this is likely due to longer-range interactions and cooperative effects, which are not represented by the reduced models. Using the truncated 7CCO binding site model, the magnitude and trend of the experimental Ln 3+ relative binding free energies for the whole 7CCO peptide were reproduced. In contrast to the previously reported experimental data for LanM, the peptide preferentially binds the earlier lanthanides. This difference likely arises due to longer-range interactions and cooperative effects not represented by the peptide. Further investigation of Ln 3+ interactions with whole proteins using polarizable molecular mechanics models with explicit solvent is warranted to understand the influence of longer-ranged interactions, cooperativity, and bulk solvent. Nevertheless, the present work provides new insights into Ln 3+ interactions with biomolecules and presents an effective computational platform for designing specific single-site REM binding peptides more efficiently.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Tunable-fidelity wave functions for the ab initio description of scattering and reactions

Here, the no-core shell model (NCSM) is an ab initio method that solves the nuclear many-body problem by expanding the many-particle wave function into a (typically) harmonic oscillator basis and minimizing the energy to obtain the expansion coefficients. Extensions of the NCSM, such as its coupling with microscopic-cluster basis states, further allow for an ab initio treatment of light-ion nuclear reactions of interest for both astrophysics and nuclear technology applications. A downside of the method is the exponential scaling of the basis size with increasing number of nucleons and excitation quanta, which limits its applicability to mass A ≲ 16 nuclei, except for variants where the basis is further down-selected via some truncation scheme. We consider a basis selection method for the NCSM that was first introduced in the context of the large-scale shell model and captures the essential degrees of freedom of the nuclear wave function leading to a favorable complexity scaling for calculations and enabling ab initio reaction calculations in sd-shell nuclei. The particle configurations within the NCSM basis are ordered based on their contribution to the first moment of the Hamiltonian matrix that results from the projection onto the many-body basis. The truncation scheme then consists in retaining only the lowest-first-moment configurations, which typically contain only few many-body basis states (Slater determinants). As the energy threshold above which configurations are disregarded is increased, the size of the basis becomes an almost-continuous variable, allowing for tunable fidelity in the obtained wave functions. The resulting wave functions can then be used directly in ab initio reaction calculations. We present calculations for 7 Li and n + 12 C scattering using nucleon-nucleon interactions derived from chiral effective field theory and softened using the similarity renormalization group method. The obtained energy levels invariably demonstrate exponential convergence with the size of the basis, and we find improved convergence in scattering calculations. To demonstrate the possibilities enabled by the approach, we also present a first calculation for the scattering of neutrons from 24 Mg. The method presented in this work appears promising for future studies of nuclei with mass A > 16, opening multiple future research directions impacting both nuclear astrophysics and nuclear technology applications.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2024

The effect of low temperature on poly(3-methyl- N -vinylcaprolactam)- b -poly( N -vinylpyrrolidone) diblock copolymer nanovesicles assembled from all-aqueous media

Nanosized polymeric vesicles (polymersomes) self-assembled from double hydrophilic copolymers of poly(3-methyl-N-vinylcaprolactam) n -b-poly(N-vinylpyrrolidone) m (PMVC n -b-PVPON m ) using all aqueous media are a promising platform for biomedical applications, because of their superior stability over liposomes in vivo and high loading capacity. Herein, we explored the temperature-sensitive behavior of PMVC 58 -b-PVPON 65 vesicles using transmission electron microscopy (TEM), dynamic light scattering (DLS), atomic force microscopy (AFM), and small-angle neutron scattering (SANS) in response to lowering the solution temperature from 37 to 25, 20, 14 and 4 °C. The copolymer vesicles with an average size of 350 nm at 37 °C were assembled from the diblock copolymer dissolved in aqueous solution at 4 °C. We show that while the polymersome's size gradually decreases upon the temperature decrease from 37 to 4 °C, the average shell thickness increases from 17 nm to 25 nm, respectively. SANS study revealed that the PMVC 58 -b-PVPON 65 vesicle undergoes a gradual structure evolution from a dense-shell vesicle at 37–25 °C to a highly-hydrated shell vesicle at 20–14 °C to molecular chain aggregates at 4 °C. From SANS contrast matching study, this vesicle behavior is found to be driven by the gradual rehydration of PMVC block at 37–14 °C. The shell hydration at 20–14 °C also correlated with the 4.4-fold decrease in the relative fluorescence intensity from vesicle-encapsulated fluorescent dye, indicating ~80% of the dye release within 12 hours after the vesicle exposure to 14 °C. No significant (<5%) dye release was observed for the vesicle solutions at 37–20 °C, indicating excellent cargo retention inside the vesicles. Our study provides new fundamental insights on temperature-sensitive polymer vesicles and demonstrates that the copolymer assembly into polymersomes can be achieved by decreasing a copolymer aqueous solution temperature below 14 °C followed by solution exposure to ≥20 °C. This type of all-aqueous assembly, instead of nanoprecipitation from organic solvents or solvent exchange, can be highly desirable for encapsulating a wide range of biological molecules, including proteins, peptides, and nucleic acids, into stable polymer vesicles without a need for organic solvents for dissolution of the copolymers that are amphiphilic at physiologically relevant temperatures of 20–37 °C.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Evidence of a glassy magnetic transition driven by structural disorder in BiFeO 3 nanoparticles

Important effects appear in low and high temperature magnetometry of multiferroic BiFeO 3 (BFO) nanoparticles as sizes are reduced from 105 nm to 18 nm. In these particles, a magnetic transition appears close to 200 K probably associated with a spin reorientation which is absent in bigger particles. At higher temperatures and up to the bulk ferroelectric Curie temperature (1000 K), two additional magnetic transitions can be identified. Around T N 600 K, a size-dependent magnetic transition appears, associated with an antiferromagnetic transition. A model based on atomic vibration instability can describe the variation of T N with nanoparticle size. Furthermore, for certain sizes, the properties are dominated by the glassy state arising from the disorder produced by the formation of a core-shell structure. This implies that the magnetic behavior of nanoparticles is strongly affected by their crystal structure close to the transition temperature. Finally, the structural disorder which couples to the magnetic properties add control to the magnetic and ferroelectric properties of BFO nanoparticles.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Optimizing the Smoothness and Thickness Uniformity of Thin-Film Parylene-N Vapor-Deposited Coatings for Inertial Confinement Fusion Experiments

Polymer coatings with submicrometer smoothness and constant thickness are a required component in a variety of inertial confinement fusion experiments. Smoothness is important for minimizing Rayleigh-Taylor-driven hydrodynamic instabilities, and uniform thickness is important for uniform shock propagation and shell convergence, both of which are critical phenomena that affect the experiment. The preferred polymer coating method is to vapor deposit the parylene-N polymer because it provides nominally smooth conformal coatings. As the coating thickness exceeds 5 µm, however, dome-shaped nodular growth defects develop and the thickness will vary by up to 17% over a distance of 3 cm. This study presents a deterministic method for achieving uniform film thicknesses with ±2% variability over 3 cm and a predictive method to control the thickness to within 5% of the desired value. A coating smoothness of ∼50 nm rms, measured over 40 000 µm 2 , was achieved by adding additional surfaces near the substrates. This additional area improved the thickness uniformity, an effect that is attributed to the low sticking coefficient of the parylene monomer.

chemical vapor deposition (CVD)↗
DOE OSTI2024

Increasing Main Cooler Thermal Performance for sCO2 Power Cycles

Increasing sCO2 power cycle cooler performance will increase the efficiency and lower the cost of electricity for sCO2 power cycles. This work considered the heat transfer performance of two counter-flow, shell-and-tube heat exchangers using local measurements. The heat exchangers were constructed using commercial tubing. One heat exchanger was constructed with a conventional, smooth inner tube (7 mm nominal inner diameter). The other was constructed with an additively manufactured tube with a square cross section and angled rib turbulators. For mixed mean temperatures away from the pseudocritical temperature, the heat transfer coefficient matched the Dittus-Boelter correlation. As the mixed mean temperature approached the pseudocritical temperature, the heat transfer coefficient deviated from the Dittus-Boelter correlation due to transverse property variation and buoyancy. The local and average heat transfer coefficients for angled rib tubes were nominally 150% to 300% greater than the heat transfer coefficients for the smooth tube. Trends in heat exchanger effectiveness indicated that the ribs were most beneficial when the water flow rates were at the low end of the range considered: 0.016 – 0.126 kg/s. Using results from prior system modeling, it is anticipated that adding heat transfer enhancement features in a cycle cooler will increase the sCO2 cycle efficiency by 0.34 percentage points.

Searle, Matthew↗
DOE OSTI2022

Flash Recycling of Graphite Anodes

The ever-increasing production of commercial lithium-ion batteries (LIBs) will result in a staggering accumulation of waste when they reach their end of life. A closed-loop solution, with effective recycling of spent LIBs, will lessen both the environmental impacts and economic cost of their use. Presently, <5% of spent LIBs are recycled and the regeneration of graphite anodes has, unfortunately, been mostly overlooked despite the considerable cost of battery-grade graphite. Here, in this work, an ultrafast flash recycling method to regenerate the graphite anode is developed and valuable battery metal resources are recovered. Selective Joule heating is applied for only seconds to efficiently decompose the resistive impurities. The generated inorganic salts, including lithium, cobalt, nickel, and manganese, can be easily recollected from the flashed anode waste using diluted acid, specifically 0.1 M HCl. The flash-recycled anode preserves the graphite structure and is coated with a solid-electrolyte-interphase-derived carbon shell, contributing to high initial specific capacity, superior rate performance, and cycling stability, when compared to anode materials recycled using a high-temperature-calcination method. Life-cycle-analysis relative to current graphite production and recycling methods indicate that flash recycling can significantly reduce the total energy consumption and greenhouse gas emission while turning anode recycling into an economically advantageous process.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Microstructurally driven self-sharpening mechanism in beaver incisor enamel facilitates their capacity to fell trees

Beavers ( Castor ) stand out among mammals for their unique capacity to fell trees using their large, ever-growing incisors. This routine consumption of resistant fodder induces prodigious wear in the lower incisors, despite this blunting effect the incisors maintain a remarkably sharp cutting edge. Notably, the enamel edges of their incisors show a highly complex two-part microstructure of which the biomechanical import is unknown. Here, using fracture analysis, nanoindentation, and wear testing on North American beaver ( C. canadensis ) incisors we test the microstructure's possible contribution to maintaining incisal sharpness. Although comparable in hardness, the inner enamel preferentially fails and readily wears at 2.5 times the rate of the outer enamel. The outer microstructure redirects all fractures in parallel, decreasing fracture coalescence. Conversely, the inner microstructure facilitates crack coalescence increasing the wear rate by isolating layers of enamel prisms that readily fragment. Together these two architectures form a microstructurally driven self-sharpening mechanism contained entirely within the thin enamel shell. Here, our results demonstrate that enamel microstructures exposed at the occlusal surface can markedly influence both enamel crest shape and surface texture in wearing dentitions. The methods introduced here open the door to exploring the biomechanical functionality and evolution of enamel microstructures throughout Mammalia.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2023

CFD modeling of crystallization fouling with CO 2 desorption incorporated for a falling-film evaporator in thermal desalination

Seawater flowing around horizontal tubes in falling-film evaporators is a common configuration for thermal desalination. Heat is transferred from in-tube steam condensation to the shell-side seawater by conduction through the tube wall and scaling layer, and conduction and convection to the evaporating liquid film. CO 2 is simultaneously released from seawater and mixed with the produced vapor. Fouling coupled with CO 2 desorption has deleterious impacts on both evaporation and condensation. The evaluation of spatiotemporal dependent crystallization fouling and CO 2 desorption is vital to selecting optimal operating conditions. Here, in this work, a CO 2 desorption model is integrated into CFD modeling for predictions of coupled heat and mass transfer, to understand and predict scale formation and CO 2 desorption with local and transient profiles of temperature, carbonate species concentrations, pH, and total alkalinity. The porosity of the scale layer is experimentally determined as 67.7% and invoked in the calculation of effective thermal conductivity. The simulation results reveal that high steam temperatures increase seawater total alkalinity and accelerate scale formation. The scale thickness on the bottom tube reaches 0.30 μm and 5.24 μm for steam temperatures of 60 °C and 80 °C, respectively. High salinity leads to a large CO 2 desorption rates. The CO 2 desorption rate increases 43% when the seawater salinity increases from 35 to 55 g/kg. The effects of operating conditions on carbonate speciation and pH have been compared and analyzed. This model can serve as a comprehensive tool for the design of thermal desalination systems and optimal operation.

42 ENGINEERING↗