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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 55 records · Page 3

Human-induced changes in the global meridional overturning circulation are emerging from the Southern Ocean

In a warming climate, the Global Meridional Overturning Circulation (GMOC) is expected to change significantly with a risk of disrupting the global redistribution of ocean properties that sustains marine ecosystems, carbon cycle, and others. Here we make a novel attempt to utilize a diagnostic ocean & sea-ice model to estimate the GMOC and its interdecadal changes since the mid-1950s that are consistent with historical hydrographic observations. We find that significant changes in the GMOC have already occurred, most notably in the upper and lower overturning cells in the Southern Ocean. The former has expanded poleward and into denser water and strengthened by 3–4 Sv since the mid-1970s, while the latter has contracted and weakened by a similar rate during the same period. These changes are driven by the increasing Southern Hemisphere (SH) Ferrel cell and associated increases in the westerlies and the surface buoyancy loss over its sinking branch, and the increasing Antarctic meltwater discharge, in response to ozone depletion in the SH stratosphere and increasing atmospheric CO 2 . A large-scale readjustment of the GMOC seems to be underway in the South Atlantic and Indo-Pacific Oceans since the mid-2000s in response to the Southern Ocean changes.

54 ENVIRONMENTAL SCIENCES↗

Stabilization/Solidification of Tritiated Water - 20135

Tritiated water was stabilized/solidified by using calcium oxide and a polymer. First, tritiated water was changed into the powder form of calcium hydroxide by addition of tritiated water into calcium oxide. Then the produced calcium hydroxide was solidified in waste form by using a polymer binder. The specimens of waste form prepared by surrogate calcium hydroxide were subjected to compressive strength testing and water immersion testing. In addition, the specimens of waste form prepared by tritiated calcium hydroxide were subjected to leach testing. The mean compressive strength of the specimens containing 40 wt % of the surrogate calcium hydroxide was about 98.5 MPa (14,300 psi). After water immersion testing, there was no distinct change in the appearance of the specimens. The mean compressive strength of the specimens after water immersion was 79.1 MPa (11,470 psi). The mean diffusion coefficient of tritium for the specimens containing 40 wt% of tritiated calcium hydroxide was 5.4 x 10-10 cm{sup 2}/s. These findings indicate that the waste form has enough mechanical integrity and durability for final disposal and releases tritium very slowly. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

High-brightness self-seeded X-ray free-electron laser covering the 3.5 keV to 14.6 keV range

A self-seeded X-ray free-electron laser (XFEL) is a promising approach to realize bright, fully coherent free-electron laser (FEL) sources in the hard X-ray domain that have been a long-standing issue with longitudinal coherence remaining challenging. Additionally, at the Pohang Accelerator Laboratory XFEL, we have demonstrated a hard X-ray self-seeded XFEL with a peak brightness of 3.2 × 10 35 photons s –1 mm –2 mrad –2 0.1% bandwidth (BW) –1 at 9.7 keV. The bandwidth (0.19 eV) is about 1/70 times as wide (close to the Fourier transform limit) and the peak spectral brightness is 40 times higher than in self-amplified spontaneous emission (SASE), with substantial improvements in the stability of self-seeding and noticeably suppressed pedestal effects. We could reach an excellent self-seeding performance at a photon energy of 3.5 keV (lowest) and 14.6 keV (highest) with the same stability as the 9.7 keV self-seeding. The bandwidth of the 14.6 keV seeded FEL was 0.32 eV, and the peak brightness was 1.3 × 10 35 photons s –1 mm –2 mrad –2 0.1%BW –1 . We show that the use of seeded FEL pulses with higher reproducibility and a cleaner spectrum results in serial femtosecond crystallography data of superior quality compared with data collected using SASE mode.

47 OTHER INSTRUMENTATION↗

Controlling structure and interfacial interaction of monolayer TaSe2 on bilayer graphene

Abstract Tunability of interfacial effects between two-dimensional (2D) crystals is crucial not only for understanding the intrinsic properties of each system, but also for designing electronic devices based on ultra-thin heterostructures. A prerequisite of such heterostructure engineering is the availability of 2D crystals with different degrees of interfacial interactions. In this work, we report a controlled epitaxial growth of monolayer TaSe 2 with different structural phases, 1 H and 1 T , on a bilayer graphene (BLG) substrate using molecular beam epitaxy, and its impact on the electronic properties of the heterostructures using angle-resolved photoemission spectroscopy. 1 H -TaSe 2 exhibits significant charge transfer and band hybridization at the interface, whereas 1 T -TaSe 2 shows weak interactions with the substrate. The distinct interfacial interactions are attributed to the dual effects from the differences of the work functions as well as the relative interlayer distance between TaSe 2 films and BLG substrate. The method demonstrated here provides a viable route towards interface engineering in a variety of transition-metal dichalcogenides that can be applied to future nano-devices with designed electronic properties.

36 MATERIALS SCIENCE↗

Impact of Hypernova νp-process Nucleosynthesis on the Galactic Chemical Evolution of Mo and Ru

We calculate the Galactic Chemical Evolution of Mo and Ru by taking into account the contribution from νp-process nucleosynthesis. We estimate yields of p-nuclei such as 92,94 Mo and 96,98 Ru through the νp-process in various supernova progenitors based upon recent models. In particular, the νp-process in energetic hypernovae produces a large amount of p-nuclei compared to the yield in ordinary core-collapse SNe. Because of this, the abundances of 92,94 Mo and 96,98 Ru in the Galaxy are significantly enhanced at [Fe/H] = 0 by the νp-process. We find that the νp-process in hypernovae is the main contributor to the elemental abundance of 92 Mo at low metallicity [Fe/H] < −2. Our theoretical prediction of the elemental abundances in metal-poor stars becomes more consistent with observational data when the νp-process in hypernovae is taken into account.

79 ASTRONOMY AND ASTROPHYSICS↗

Development of coherent-precipitate-hardened high-entropy alloys with hierarchical NiAl/Ni 2 TiAl precipitates in CrMnFeCoNiAl x Ti y alloys

Coherent precipitates hardening is currently emerging strengthening mechanism of the various high entropy alloys (HEAs). Recently, CrMnFeCoNiAl x HEAs have been studied to show a phase transition from face-centered-cubic (FCC) to body-centered-cubic (BCC) and formation of coherent precipitates (B2-NiAl) within the BCC matrix. The coherent precipitates in the CrMnFeCoNiAl x alloys could contribute to increase the strength but lead to considerable reduction of the ductility. The present work systematically investigated a series of CrMnFeCoNiAl 0.5 Ti x alloys to further improve the strength and plasticity, as compared to the previously reported CrMnFeCoNiAl x HEAs. As a result, an increase of Ti addition leads to the phase transition from FCC to BCC and formation of lamellar structure and hierarchical precipitates reinforced by B2-NiAl and L2 1 -Ni 2 TiAl phases. Excellent mechanical properties were achieved from CrMnFeCoNiAl 0.5 Ti 0.1 and CrMnFeCoNiAl 0.5 Ti 0.2 alloys. Herein, the mechanical properties of the CrMnFeCoNiAl 0.5 Ti x alloys were discussed via theoretical strengthening mechanisms.

36 MATERIALS SCIENCE↗

Dicyclohexylcarbodiimide-sensitive ATPase in Halobacterium saccharovorum

Membranes from Halobacterium saccharovorum contained a cryptic ATPase which required Mg(2+) or Mn(2+) and was activated by Triton X-100. The optimal pH for ATP hydrolysis was 9-10. ATP or GTP were hydrolyzed at the same rate while ITP, CTP, and UTP were hydrolyzed at about half that rate. The products of ATP hydrolysis were ADP and phosphate. The ATPase required high concentrations (3.5 M) of NaCl for maximum activity. ADP was a competitive inhibitor of the activity, with an apparent Ki of 50 micro-M. Dicyclohexylcarbodiimide (DCCD) inhibited ATP hydrolysis. The inhibition was marginal at the optimum pH of the enzyme. When the ATPase was preincubated with DCCD at varying pH values, but assayed at the optimal pH for activity, DCCD inhibition was observed to increase with increasing acidity of the preincubation medium. DCCD inhibition was also dependent on time of preincubation, and protein and DCCD concentrations. When preincubated at pH 6.0 for 4 h at a protein:DCCD ratio of 40 (w/w), ATPase activity was inhibited 90 percent.

Kristjansson, H.↗

Enhanced Guest@MOF Interaction via Stepwise Thermal Annealing: TCNQ@Cu 3 (BTC) 2

Confinement of guest molecules in porous materials such as metal organic frameworks (MOFs) promises to deliver emergent properties separate from those of the individual components. Understanding the confinement mechanism is therefore important for the development of new synthesis routes that adjust MOF properties for specific applications. In this work, we developed a new synthetic method to confine guest molecules into MOF pores through a stepwise thermal annealing process, wherein the confinement of 7,7,8,8-tetracyanoquinodimethane (TCNQ) guest molecules into Cu 3 (BTC) 2 (BTC = benzene-1,3,5-tricarboxylic acid) MOF host is used as an example of how novel materials can be created with new physical properties. The stepwise thermal annealing process includes 1) an activation process of pristine Cu 3 (BTC) 2 MOF to maximizes the TCNQ guest loading in the MOF host by effectively removing the residual solvents and 2) post-annealing of the TCNQ infiltrated MOF to enhances the interaction of the confined guest molecules with the MOF host. Obtained experimental results based on thermogravimetric analysis, N 2 gas adsorption, electron microscopy, X-ray diffraction and infrared absorption, combined with density functional theory calculations provide evidence that the use of a stepwise thermal annealing process yields enhancements in the guest loading, packing and interaction between the TCNQ guest and the MOF host. The new hybrid TCNQ@Cu 3 (BTC) 2 system is stable and shows no significant signs of structural degradation even after submersion in water. This is due to the presence of significantly stronger interactions of TCNQ with the frame-work metal ions compared to those of the water molecules competing for the same framework binding sites. It was also found that TCNQ@Cu 3 (BTC) 2 system maintains a significant CO 2 and CH 4 adsorption potential compared to the pristine MOF. The synthetic route developed in this work yields novel guest@MOF hybrid systems that will be useful for many MOF-based applications such as gas separations and chemical sensors performed under humid conditions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Pore-scale evidence of ion exclusion during methane hydrate growth and evolution of hydrate pore-habit in sandy sediments

Hydrate-bearing sediments constitute complex hydrological systems, within which the pore habit of hydrate significantly affects all physical properties. However, there is scarce pore-scale evidence of the evolution of hydrate growth in porous media and the influence of water salinity in the micro-morphology of hydrate. In this paper, we used X-ray computed micro-tomography (CT) to monitor three experiments of methane hydrate growth in sand partially saturated with either NaBr or KI brine under excess-gas conditions. Gas, brine and hydrate are observed to co-exist at the pore-scale during the evolution of hydrate pore-habit towards three-phase equilibrium. The experiments and data analysis reveal that (1) hydrate forms as a porous medium mixed with inclusions of brine and gas, where hydrate and brine evolve gradually into separate phases as hydrate cages exclude salt ions, (2) hydrate growth mobilizes water over fairly long distances resulting in heterogeneous hydrate distribution, and (3) hydrate can exhibit interconnecting pore-habit at local hydrate saturations higher than ~50%, even if grown under excess-gas conditions. The results imply that hydrate micro-morphology and pore habit evolve during hydrate formation and, we suggest, so do the physical properties of hydrate-bearing sediments. Furthermore, our findings provide new insights into the micro-morphology of hydrate and evolution of the properties of hydrate-bearing sediments synthesized in the laboratory and in natural systems.

Clathrate hydrate↗

Universal Approach to Rapid Amplified Plasmonic Sensing Using Helix Defect Phase Transition Polymers

Abstract Permittivity sensing is a critically important analytical tool for bioscience, environmental, and industrial applications. The response time for commonly used plasmonic permittivity sensors is fundamentally set by the reaction kinetics of chemically adsorbed analytes. In this work, the proposal is to overcome this limit by combining plasmonic sensors with phase transition materials possessing a rapid amplified electrostatic response such as quadrupole moment induced molecular helix reversal. As a proof‐of‐concept, rapid sensing of CO 2 on a phase transition polytetrafluoroethylene substrate and amplification of permittivity response in plasmonic Fabry–Perot sensor is shown. The demonstrated universal approach holds promise for a wide range of applications in fast, real time sensing and monitoring of biological and environmental processes.

Shugayev, Roman↗

Low-cost, portable optical sensors for critical mineral prospecting and process monitoring

A combination of projected demand increases for economically critical minerals and a monopolistic global marketplace for these minerals has caused concern over supply chain vulnerabilities, which would impact energy, national defense, and advanced technology production. Domestic production of critical minerals is hindered by expensive and non-portable methods for analyzing metal concentration, which is vital both for resource prospecting and process monitoring. Here, a suite of luminescent materials along with portable instrumentation is presented for fluorescence-based detection of trace concentrations of critical minerals (cobalt, rare earth elements, and aluminum) as well as common gangue metals that are removed during processing (iron and aluminum). A metal-organic framework comprised of zinc, adenine, and trimesic acid immobilized on a fiber optic tip is capable of sensing part-per-billion concentrations of terbium, europium, dysprosium, and samarium through a sensitization approach, in which individual elements produce characteristic emission bands enabling multiple rare earths to be simultaneously detected and distinguished. A deep-UV light emitting diode is used as the excitation source, while a portable spectrometer is used to detect the emitted light. A similar optical set-up is coupled with two different carbon dot materials, which can detect low part-per-million concentrations of cobalt and iron in acidic environments. Metal-organic framework thin films comprised of copper and 2-aminoterephthalic acid are used in tandem with a portable optical set-up to further detect aluminum, with successful deployment in real fly ash leachates. Taken together, these technologies provide an inexpensive and sensitive path towards characterizing economically critical metals.

characterization and extraction of rare earth elem↗

Landscape of 4d N = 1 SCFTs with a = c

We study a landscape of four-dimensional N = 1 superconformal field theories (SCFTs) with identical central charges. These theories are obtained by renormalization group flows triggered by supersymmetry-preserving superpotential deformations of the N = 1 gauging of the flavor symmetry of a collection of N = 2 D p ( G ) Argyres-Douglas SCFTs. In this work, we focus on the fixed points in the landscape of the S U ( 3 ) gauging of three copies of the D 2 ( S U ( 3 ) ) = H 2 theory together with an adjoint-valued chiral multiplet. We catalog the network of a = c fixed points, and, along the way, we find a variety of dualities and instances of supersymmetry enhancement. Published by the American Physical Society 2025

Kang, Monica Jinwoo (ORCID:0000000204542064)↗

Kinetic dissection of individual steps in the poly(C)-directed oligoguanylate synthesis from guanosine 5'-monophosphate 2-methylimidazolide

A kinetic study of oligoguanylate synthesis on a polycytidylate template, poly(C), as a function of the concentration of the activated monomer, guanosine 5'-monophosphate 2-methylimidazolide, 2-MeImpG, is reported. Reactions were run with 0.005-0.045 M 2-MeImpG in the presence of 0.05 M poly(C) at 23 degrees C. The kinetic results are consistent with a reaction scheme (eq 1) that consists of a series of consecutive steps, each step representing the addition of one molecule of 2-MeImpG to the growing oligomer. This scheme allows the calculation of second-order rate constants for every step by analyzing the time-dependent growth of each oligomer. Computer simulations of the course of reaction based on the determined rate constants and eq 1 are in excellent agreement with the product distributions seen in the HPLC profiles. In accord with an earlier study (Fakhrai, H.; Inoue, T.; Orgel, L. E. Tetrahedron 1984, 40, 39), rate constants, ki, for the formation of the tetramer and longer oligomers up to the 16-mer were found to be independent of length and somewhat higher than k3 (formation of trimer), which in turn is much higher than k2 (formation of dimer). The ki (i > or = 4), k3, and k2 values are not true second-order rate constants but vary with monomer concentration. Mechanistic models for the dimerization (Scheme I) and elongation reactions (Scheme II) are proposed that are consistent with our results. These models take into account that the monomer associates with the template in a cooperative manner. Our kinetic analysis allowed the determination of rate constants for the elementary processes of covalent bond formation between two monomers (dimerization) and between an oligomer and a monomer (elongation) on the template. A major conclusion from our study is that bond formation between two monomer units or between a primer and a monomer is assisted by the presence of additional next-neighbor monomer units. This is consistent with recent findings with hairpin oligonucleotides (Wu, T.; Orgel, L. E. J. Am. Chem. Soc. 1992, 114, 317). Our study is the first of its kind that shows the feasibility of a thorough kinetic analysis of a template-directed oligomerization and provides a detailed mechanistic model of these reactions.

Non-NASA Center↗

Centimeter-Scale Pillared-Layer Metal–Organic Framework Thin Films Mediated by Hydroxy Double Salt Intermediates for CO 2 Sensor Applications

Fabrication of metal–organic framework (MOF) thin films over macroscopic surface areas is a subject of great interest for gas sensor application platforms such as optics and microelectronics. However, a direct synthesis of MOF films at ambient conditions, in particular pillared-layer MOF films due to their anisotropic structures, remains a significant challenge. Herein, we demonstrate for the first time a facile construction of dense and continuous pillared-layer MOF thin films on a centimeter scale via an aluminum-doped zinc oxide template and hydroxy double salt (HDS) intermediates at room temperature. A series of Cu(II)-based pillared MOFs with different 1,4-benzenedicarboxylic acid (bdc) ligands were explored for optimizing MOF film formation for CO 2 sensor applications. Nonpolar ligands with lower water solubility preferentially formed crystalline pillared MOF structures from HDS intermediates. A Cu 2 (ndc) 2 (dabco) (ndc = 1,4-naphthalene-bdc; dabco = 1,4-diazabicyclo[2.2.2]octane) MOF demonstrated the most dense and uniform film growth with micrometer thickness over one square centimeter area. This synthetic approach for growing Cu 2 (ndc) 2 (dabco) MOF thin films was successfully translated toward two sensing platforms: a quartz crystal microbalance and an optical fiber sensor. These Cu 2 (ndc) 2 (dabco) MOF-coated sensors displayed sensitivity toward CO 2 and response/recovery time on the scale of seconds, even at moderate humidity levels. Finally, this work provides a road map for producing continuous and anisotropic crystalline MOF thin films over a centimeter scale area on various substrates, which will greatly facilitate their utilization in MOF-based sensor devices, among other applications.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Synthesis of Microscopic 3D Graphene for High‐Performance Supercapacitors with Ultra‐High Areal Capacitance

Abstract Despite graphene being considered an ideal supercapacitor electrode material, its use in commercial devices is limited because few methods exist to produce high‐quality graphene at a large scale and low cost. A simple method is reported to synthesize 3D graphene by graphenization of coal tar pitch with a K 2 CO 3 catalyst. This produces 3D graphenes with high specific surface areas up to 2113 m 2 g −1 and exceptional crystallinity (Raman I D / I G as low as ≈0.15). The material has an outstanding specific capacitance of 182.6 F g −1 at a current density of 1.0 A g −1 . This occurs at a mass loading of 30 mg cm −2 which is 3 times higher than commercial requirements, yielding an ultra‐high areal capacitance of 5.48 F cm −2 . The K 2 CO 3 is recycled and reused over 10 cycles with material quality and electrocapacitive performance of 3D graphene retained and verified after each cycle. The synthesis method and resulting electrocapacitive performance properties create new opportunities for using 3D graphene more broadly in practical supercapacitor devices.

36 MATERIALS SCIENCE↗

Infinitely many 4D N = 1 SCFTs with a = c

Here, we study a rich set of four-dimensional N = 1 superconformal field theories (SCFTs) with both central charges identical: a = c. We construct them via the diagonal N = 1 gauging of the flavor symmetry G of a collection of N = 2 Argyres–Douglas theories of type D p (G), with or without additional adjoint chiral multiplets. In this way, we construct infinitely many theories that flow to interacting SCFTs with a = c in the infrared. Lastly, we briefly highlight the features of the SCFTs without a = c that arise from generalizing this construction.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗