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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 667 records · Page 37

Genome-resolved biogeography of Phaeocystales, cosmopolitan bloom-forming algae

Phaeocystales, comprising the genus Phaeocystis and an uncharacterized sister lineage, are nanoplanktonic haptophytes widespread in the global ocean. Several species form mucilaginous colonies and influence key biogeochemical cycles, yet their underlying diversity and ecological strategies remain underexplored. Here, we present new genomic data from 13 strains, including three high-quality reference genomes (N50 > 30 kbp), and integrate previous metagenome-assembled genomes to resolve a robust phylogeny. Divergence timing of P. antarctica aligns with Miocene cooling and Southern Ocean isolation. Genomic traits reveal metabolic flexibility, including mixotrophic nitrogen acquisition in temperate waters and gene expansions linked to polar nutrient adaptation. Concordantly, transcriptomic comparisons between temperate and polar Phaeocystis suggest Southern Ocean populations experience iron and B12 limitation. We also identify signatures of horizontal gene transfer and endogenous giant virus/virophage insertions. Together, these findings highlight Phaeocystales as an ecologically versatile and geographically widespread lineage shaped by evolutionary innovation and adaptation to contrasting environmental stressors.

Füssy, Zoltán↗

High sensitivity pressure and temperature quantum sensing in pentacene-doped p-terphenyl single crystals

Quantum sensors’ responsiveness to their physical environment enables detection of variables such as temperature (T), pressure (P), and strain. We present a molecular platform for PT sensing using para-terphenyl crystals doped with pentacene (PDP), leveraging optically detected magnetic resonance (ODMR) of photoexcited triplet electron spins. We observe maximal frequency variations of df/dP=1.8 MHz/bar from 0-8 bar and df/dT=247 kHz/K from 79–330 K, over 1200 times and threefold greater, respectively, than those seen with nitrogen-vacancy centers in diamond and > 85-fold greater pressure sensitivity over the previous record. Density functional theory calculations indicate picometer-level PT-induced molecular orbital shifts are measurable via ODMR. PDP offers additional advantages including high sensor doping levels, narrow ODMR linewidths, high contrast, and low-cost single crystal growth. Overall, this work reports low-cost, optically-interrogated PT sensors and lays the foundation for increased versatility of quantum sensors through synthetic molecular design.

Magnetic properties and materials↗

Mesh-like structure integrated core-shell-shell nanocomposites for enhanced stability and performance in carbon capture

Carbon capture is essential for mitigating climate change, yet most sorbents struggle to combine high capacity with chemical stability. Here we report core-shell-shell (CSS) nanocomposites that integrate adsorption efficiency with exceptional robustness. The design couples a metal-organic framework (MOF) core, which enriches local CO 2 concentration, with a polyamine shell that is reorganized into a porous, ordered network through entanglement with an outer covalent organic framework (COF) shell. This hierarchical architecture enables dual amine functionalization via sequential “click” and Schiff-base reactions, achieving a CO 2 uptake of 3.4 mmol g −1 at 1 bar. The COF outer layer also acts as a protective barrier, suppressing humidity interference and doubling cycling stability under simulated flue gas. Remarkably, the nanocomposites maintain structural integrity after one week in strongly acidic (3 M HNO 3 ) or basic (NaOH, pH=14) environments, underscoring their chemical resilience. By uniting high capacity, cycling durability, and environmental tolerance, this CSS strategy offers a versatile platform for next-generation carbon capture materials.

Yang, Sizhuo [Lawrence Berkeley National Laborator↗

Enabling ambient stability and quantum integration of organometallic magnonic ferrimagnets via atomic layer encapsulation

Magnons, the quanta of spin waves in magnetic materials, are promising for hybrid quantum systems by bridging electromagnetic and spin degrees of freedom. The organometallic ferrimagnet vanadium tetracyanoethylene (V[TCNE] x , x ≈ 2) is especially well-suited for quantum magnonics due to its low Gilbert damping and substrate versatility. However, its rapid chemical degradation in ambient conditions hinders practical applications. Incumbent encapsulation methods provide some protection, but are bulky, obscure intrinsic properties of V[TCNE] x , introduce thermal stress at cryogenic temperatures, and complicate microwave device integration. Here, we demonstrate that ultrathin alumina films deposited via low-temperature atomic layer deposition effectively protect V[TCNE] x by preserving its magnetic and magnonic properties following ambient exposure. The sub-100 nm transparent films also enable advanced spectroscopy, magnetometry, and cavity magnonic measurements that reveal the intrinsic properties of V[TCNE] x . This encapsulation strategy advances molecule-based quantum information science by providing a robust route toward scalable, monolithic integration in hybrid quantum technologies.

magnetic materials↗

A highly active Burkholderia polyketoacyl-CoA thiolase for production of triacetic acid lactone

Triacetic acid lactone (TAL) is a versatile platform chemical traditionally biosynthesized via decarboxylative Claisen condensation by 2-pyrone synthase. However, this route is limited by poor efficiency and dependence on malonyl-CoA. Here, we show that non-decarboxylative Claisen condensation by polyketoacyl-CoA thiolases offers a more efficient alternative. Through mining homologs of a previously reported enzyme from Cupriavidus necator, we identify five thiolases with TAL production activity. One candidate, BktBbr from Burkholderia sp. RF2-non_BP3, exhibits approximately 30-fold higher activity in vitro and supports 30-fold higher TAL titers in Escherichia coli compared to the original enzyme. Fed-batch fermentation achieves titers up to 2.8 g L⁻¹. Structural analysis of BktBbr co-crystallized with CoA esters guides rational engineering to further enhance performance. Our discovery of a highly active thiolase establishes an alternative enzymatic route to produce TAL efficiently, providing a scalable foundation for sustainable biomanufacturing.

Wang, Zilong [Joint BioEnergy Institute (JBEI), Em↗

Structured liquid-based reconfigurable all-liquid optical fibers

Quartz optical fibers are brittle, difficult to repair, and lack reconfigurability, limiting their adaptability in underwater communication. To overcome these impediments, here we show reconfigurable all-liquid optical fibers (RAOFs) produced by structured liquid, tuned by the interfacial assembly and jamming of nanoparticle surfactants at the water-oil interface (interfacial tension <10 mN m -1 , refractive index contrast of 0.083). These RAOFs combine the structural stability of the interfacial assemblies with the inherent flexibility of liquids. They support real-time communication on an Ethernet platform (up to 1 Gbps), providing a practical alternative to conventional optical fibers for optical interconnects. Their liquid nature enables broken fibers to be repaired rapidly by a coalescence process. Their softness affords on-demand reconfigurability that enables in-situ fabrication of reconfigurable optical fibers and dynamic manipulation of signal transmission. RAOFs provide a versatile, self-healing, and resilient solution for optical communication systems in dynamic environments.

Zhao, Sai [City University of Hong Kong, Kowloon (↗

Aeromonas in South Asia: genomic insights into an environmental pathogen and reservoir of antimicrobial resistance

Aeromonads are an ecologically versatile group of bacteria that cause infections in aquatic animals and are recognised as emerging human pathogens. Despite this, our understanding of Aeromonas diversity, especially the relationship between clinical and environmental strains, remains limited. Here, we present a genomic analysis of the Aeromonas genus, comprising 1853 genomes, and a detailed comparison of clinical and environmental strains from South Asia, including 996 newly sequenced genomes from Bangladesh and India. Phylogenetic analyses revealed that Aeromonas is a highly diverse genus, with no distinct clade separating clinical and environmental isolates. We identified 28 Aeromonas species and 905 novel sequence types, comprising 72.5% of the genomes. Notably, we show a high incidence of antimicrobial resistance (AMR) genes across all isolates, including against front and last-line antibiotics. Finally, we highlight frequent misidentification of Aeromonas as Vibrio cholerae, which is relevant to cholera-endemic regions where both genera co-exist and are associated with diarrhoeal disease. Our study underscores Aeromonas as an important environmental AMR reservoir and emerging multi-species pathogen capable of spilling over into human populations.

59 BASIC BIOLOGICAL SCIENCES↗

Millimeter-wave dielectric tunability driven by topological polar structure switching in PbTiO 3 /SrTiO 3 superlattices

Dielectric tunability induced by an external electric field in materials underpins radio frequency signal modulation devices such as phase shifters, which are critical components in wireless communication and sensing systems. However, the tunability and integrability of current devices have yet to be enhanced for emerging applications, particularly at millimeter-wave frequencies. Here, we demonstrate that topological polar structures formed in PbTiO 3 /SrTiO 3 superlattices exhibit large tunable in-plane dielectric properties, as determined by their multiscale structural configurations and polarization switching behaviors. Under a moderate field of 30 kV cm −1 , the dipole wave structure maintains a tunability exceeding 15% at 70 GHz and above 8% over the measured range up to 110 GHz, contrasting with the weakly tunable flux closure structure. Based on in situ structural characterizations and molecular dynamics simulations, we delineate the polarization switching processes and elucidate the mechanisms underlying the observed tunable millimeter-wave dielectric responses. Our results provide new insights into the high-frequency dielectric properties of topological polar phases, potentially broadening the versatility of these materials in next-generation integrated electronic applications.

36 MATERIALS SCIENCE↗

Probing boron vacancy defects in hBN via single spin relaxometry

Spin defects in solids offer promising platforms for quantum sensing and memory due to their long coherence times and optical addressability. Here, we integrate a single nitrogen-vacancy (NV) center in diamond with scanning probe microscopy to detect, read out, and spatially map spin-based quantum sensors at the nanoscale. Using the boron vacancy ($V$$^{–}_{B}$) center in hexagonal boron nitride—an emerging two-dimensional spin system—as a model, we detect its electron spin resonance indirectly via changes in the spin relaxation time (T 1 ) of a nearby NV center, eliminating the need for optical excitation or fluorescence detection of the $V$$^{–}_{B}$. Cross-relaxation between NV and $V$$^{–}_{B}$ ensembles significantly reduces NV T1, enabling quantitative nanoscale mapping of defect densities beyond the optical diffraction limit and clear resolution of hyperfine splitting in isotopically enriched h 10 B 15 N. Our method demonstrates interactions between spin sensors in 3D and 2D materials, establishing NV centers as versatile probes for characterizing otherwise inaccessible spin defects.

Quantum metrology↗

Modulating coordinate site occupancy in high-entropy spinel electrocatalysts

High entropy spinel oxides provide a versatile platform for electrocatalysis because multiple metal cations can be incorporated into a single crystalline lattice, enabling tunable electronic structures. However, controlling how these cations distribute between tetrahedral and octahedral coordination sites remains a major challenge, limiting rational catalyst design. Here, we modulate cation coordination site occupancy between tetrahedral and octahedral sites in a Co–Fe–Cr–Mn–Ni framework by introducing a sixth cation (Zn, Ga, Mg, or Al) with distinct site preference energies. Using density functional theory, synchrotron X-ray absorption spectroscopy, and magnetic circular dichroism, we demonstrate that Zn preferentially occupies tetrahedral sites, driving increased octahedral occupancy of cobalt. This redistribution increases the population of octahedrally coordinated cobalt in mixed oxidation states, enhances electrical conductivity, and improves oxygen evolution reaction activity. Our findings establish coordination site occupancy as a critical design parameter, providing a strategic pathway for tailoring multicomponent spinel electrocatalysts with optimized performance.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Single-photon emission from two-dimensional perovskites channeled through low-energy edge states

Two-dimensional perovskites, an emerging family of van der Waals materials with an innate quantum-well structure, exhibit remarkable optical characteristics and compositional tunability. However, their potential as a source for quantum emitters remains unexplored. Here, we investigate low-energy edge states unique to two-dimensional perovskites using comprehensive photoluminescence imaging and spectroscopy, to further leverage them towards uncovering quantum emitters. In contrast to above-bandgap excitation, spatially localized single-photon emitters are realized through sub-bandgap energy excitation at the edges in exfoliated single crystals. Specifically, the sub-bandgap excitation facilitates efficient access to deeply confined states within the bandgap, as charge carriers can channel through low-energy edge states while inhibiting competing processes. Furthermore, we demonstrate single-photon emitters from artificially created edges via strain as well as from two-dimensional perovskites with different quantum-well thicknesses. Our findings provide promising opportunities in the development of two-dimensional quantum emitters, where two-dimensional perovskites may provide added functionalities with versatility in material design, fabrication, and scalability.

Materials for optics↗

Carbon monoxide oxidation expands the known metabolic capacity in anaerobic methanotrophic consortia

Consortia of anaerobic methane-oxidizing archaea (ANME-2) and sulphate-reducing bacteria (SRB) represent globally relevant syntrophic associations capable of growing with minimal amounts of free energy and can persist when methane becomes limiting. Carbon monoxide (CO) has been reported in seep environments and represents a thermodynamically favourable alternative electron donor due to its low reduction potential. Here, we show that environmental ANME-SRB consortia can oxidize CO in the absence of methane, in anoxic microcosm experiments using a combination of stable isotope geochemical tracers, metatranscriptomics, and single cell activity measurements (FISH–nanoSIMS). The oxidation of CO was coupled with sulphate-reduction by syntrophic consortia, and, in the absence of sulphate, through CO 2 reduction to methane by ANME-2. Under these conditions, the production of methane was one ninth the rate of methanotrophy coupled to sulphate-reduction. Paired single cell FISH-nanoSIMS analysis of anabolic activity indicates that CO respiration appears to support cell maintenance rather than active growth, consistent with the observed down-regulation of energy generating complexes in ANME (e.g., mtr, rnf, etc.). The versatile capability of CO oxidation by anaerobic methanotrophic consortia broadens our understanding of carbon cycling in methane seeps and highlights potential mechanisms of resilience by methanotrophic archaea under changing geochemical regimes.

03 NATURAL GAS↗

Efficient bidirectional quantum frequency conversion between telecom and visible bands using adaptively phase-matched III-V nanophotonic waveguides

Quantum frequency conversion (QFC) is essential for interfacing quantum systems operating at different wavelengths and for realizing scalable quantum networks. Despite extensive progress, achieving QFC with simultaneous high efficiency, low pump power, minimal noise, broad bandwidth, and pump-wavelength flexibility remains challenging. Here, we demonstrate efficient, low-noise, and bidirectional QFC between the telecom (1550-nm) and visible (780-nm) bands using unpoled indium gallium phosphide (InGaP) χ (2) nanophotonic waveguides, eliminating the need for a long-wavelength pump. Leveraging the large nonlinear susceptibility of InGaP together with adaptive phase-matching control, we obtain 27% (55%) internal efficiency in a 6-mm (2.5-mm)-long waveguide with a low pump power of 20 mW (50 mW) and a noise flux spectral density of 10 −4 counts per second per hertz at signal–pump detuning of 20 nm. These results mark a significant advance in integrated nonlinear photonics for high-performance QFC, facilitating the development of versatile and scalable quantum networks.

Hu, Jierui [Univ. of Illinois at Urbana-Champaign,↗

Non-equilibrium reducing flame aerosol process to create supported high-entropy alloy nanoparticles

High-entropy alloy (HEA) nanomaterials provide opportunities and property combinations for energy and electronic applications, but their practical synthesis faces challenges of elemental immiscibility, metal reducibility, and particle aggregation during their synthesis. Herein, we report a broadly applicable non-equilibrium, scalable, and in-situ reducing flame aerosol process for synthesis of supported HEA nanoparticles. This versatile process can directly load a high concentration of 2 ~ 4 nm HEA nanoparticles on various 1- to 3-dimensional supports. Notably, simultaneous formation of HEA nanoparticles and a mesoporous silica support was successfully realized in a single step. Exploration of this process demonstrates the role of kinetics and entropy on decreasing alloy particle size and altering the reducibility of elements. We propose an entropy-induced reduction mechanism to incorporate oxidizable elements into HEAs, which extends the compositional space of HEA nanoparticles. As a representative catalytic application, we present a RuPdOsIrPt/graphene electrocatalyst with high activity and stability for hydrogen oxidation reaction. Our findings open horizons for high-performance HEA design and applications in diverse fields such as catalysis, electrochemistry, and sensing.

organic↗

The Bell-Evans-Polanyi relation for hydrogen evolution reaction from first-principles

The versatile Bell-Evans-Polanyi (BEP) relation stipulates the kinetics of a reaction in terms of thermodynamics. Herein, we establish the BEP relation for the hydrogen evolution reaction (HER) from fundamental electrochemical principles leveraging the Butler-Volmer relation for a one-step, one-electron process and the transition state theory. Based on first-principles investigations of HER mechanisms on fourteen metal electrodes, we firmly justify the BEP relation solely using an easy-to compute hydrogen adsorption free energy and universal electrochemical constants.

42 ENGINEERING↗

Towards accurate prediction of configurational disorder properties in materials using graph neural networks

Abstract The prediction of configurational disorder properties, such as configurational entropy and order-disorder phase transition temperature, of compound materials relies on efficient and accurate evaluations of configurational energies. Previous cluster expansion methods are not applicable to configurationally-complex material systems, including those with atomic distortions and long-range orders. In this work, we propose to leverage the versatile expressive capabilities of graph neural networks (GNNs) for efficient evaluations of configurational energies and present a workflow combining attention-based GNNs and Monte Carlo simulations to calculate the disorder properties. Using the dataset of face-centered tetragonal gold copper without and with local atomic distortions as an example, we demonstrate that the proposed data-driven framework enables the prediction of phase transition temperatures close to experimental values. We also elucidate that the variance of the energy deviations among configurations controls the prediction accuracy of disorder properties and can be used as the target loss function when training and selecting the GNN models. The work serves as a fundamental step toward a data-driven paradigm for the accelerated design of configurationally-complex functional material systems.

Chemistry↗

Machine learned potential for high-throughput phonon calculations of metal—organic frameworks

Metal–organic frameworks (MOFs) are highly porous and versatile materials studied extensively for applications such as carbon capture and water harvesting. However, computing phonon-mediated properties in MOFs, like thermal expansion and mechanical stability, remains challenging due to the large number of atoms per unit cell, making traditional Density Functional Theory (DFT) methods impractical for high-throughput screening. Recent advances in machine learning potentials have led to foundation atomistic models, such as MACE-MP-0, that accurately predict equilibrium structures but struggle with phonon properties of MOFs. In this work, we developed a workflow for computing phonons in MOFs within the quasi-harmonic approximation with a fine-tuned MACE model, MACE-MP-MOF0. The model was trained on a curated dataset of 127 representative and diverse MOFs. The fine-tuned MACE-MP-MOF0 improves the accuracy of phonon density of states and corrects the imaginary phonon modes of MACE-MP-0, enabling high-throughput phonon calculations with state-of-the-art precision. The model successfully predicts thermal expansion and bulk moduli in agreement with DFT and experimental data for several well-known MOFs. These results highlight the potential of MACE-MP-MOF0 in guiding MOF design for applications in energy storage and thermoelectrics.

Elena, Alin Marin↗

BEACON—automated aberration correction for scanning transmission electron microscopy using Bayesian optimization

Aberration correction is an important aspect of modern high-resolution scanning transmission electron microscopy. Most methods of aligning aberration correctors require specialized sample regions and are unsuitable for fine-tuning aberrations without interrupting on-going experiments. Here, we present an automated method of correcting first- and second-order aberrations called BEACON, which uses Bayesian optimization of the normalized image variance to efficiently determine the optimal corrector settings. We demonstrate its use on gold nanoparticles and a hafnium dioxide thin film showing its versatility in nano- and atomic-scale experiments. BEACON can correct all first- and second-order aberrations simultaneously to achieve an initial alignment and first- and second-order aberrations independently for fine alignment. Ptychographic reconstructions are used to demonstrate an improvement in probe shape and a reduction in the target aberration.

techniques and instrumentation↗