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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 451 records · Page 25

SOS: symmetry-operational similarity

Abstract Symmetry often governs condensed matter physics. The act of breaking symmetry spontaneously leads to phase transitions, and various observables or observable physical phenomena can be directly associated with broken symmetries. Examples include ferroelectric polarization, ferromagnetic magnetization, optical activities (including Faraday and magneto-optic Kerr rotations), second harmonic generation, photogalvanic effects, nonreciprocity, various Hall-effect-type transport properties, and multiferroicity. Herein, we propose that observable physical phenomena can occur when specimen constituents (i.e., lattice distortions or spin arrangements, in external fields or other environments) and measuring probes/quantities (i.e., propagating light, electrons, or other particles in various polarization states, including vortex beams of light and electrons, bulk polarization, or magnetization) share symmetry-operational similarity (SOS) in relation to broken symmetries. In addition, quasi-equilibrium electronic transport processes such as diode-type transport effects, linear or circular photogalvanic effects, Hall-effect-type transport properties ((planar) Hall, Ettingshausen, Nernst, thermal Hall, spin Hall, and spin Nernst effects) can be understood in terms of symmetry-operational systematics. The power of the SOS approach lies in providing simple and physically transparent views of otherwise unintuitive phenomena in complex materials. In turn, this approach can be leveraged to identify new materials that exhibit potentially desired properties as well as new phenomena in known materials.

36 MATERIALS SCIENCE↗

Lyophilization of ASFV vaccine candidate ASFV-G-ΔI177L offers long term stability

Abstract For over a century African swine fever (ASF) has been causing outbreaks leading to devastating losses for the swine industry. The current pandemic of ASF has shown no signs of stopping and continues to spread causing outbreaks in additional countries. Currently control relies mostly on culling infected farms, and strict biosecurity procedures. Recently a vaccine, ASFV-G-ΔI177L was approved for use in Vietnam. In this study we evaluate the long-term stability of lyophilized ASFV-G-ΔI177L. Understanding the stability of different formulations of vaccines is information necessary for deployment of vaccines to ASF outbreak areas, particularly those that do not have a reliable well established cold chain to ensure conservation of vaccine quality. In this report, we determined that ASFV-G-ΔI177L, when lyophilized under specific conditions, is stable for up to one year at 4 °C, with similar vaccine titers after storage. Next-generation sequencing analysis also determined that lyophilization and long-term storage under these conditions had no effect on the genome of ASFV as the genome remained genetically identical to the original non-lyophilized form.

Science & Technology - Other Topics↗

Declining groundwater storage expected to amplify mountain streamflow reductions in a warmer world

Abstract Groundwater interactions with mountain streams are often simplified in model projections, potentially leading to inaccurate estimates of streamflow response to climate change. Here, using a high-resolution, integrated hydrological model extending 400 m into the subsurface, we find groundwater an important and stable source of historical streamflow in a mountainous watershed of the Colorado River. In a warmer climate, increased forest water use is predicted to reduce groundwater recharge resulting in groundwater storage loss. Losses are expected to be most severe during dry years and cannot recover to historical levels even during simulated wet periods. Groundwater depletion substantially reduces annual streamflow with intermittent conditions predicted when precipitation is low. Expanding results across the region suggests groundwater declines will be highest in the Colorado Headwater and Gunnison basins. Our research highlights the tight coupling of vegetation and groundwater dynamics and that excluding explicit groundwater response to warming may underestimate future reductions in mountain streamflow.

Carroll, Rosemary W. H. (ORCID:0000000293028074)↗

Ambiguity, invisibility, and negativity *

Abstract Many widely different problems have a common mathematical structure wherein limited knowledge leads to ambiguity that can be captured conveniently using a concept of invisibility that requires the introduction of negative values for quantities that are inherently positive. Here I analyze three examples taken from perception theory, rigid body mechanics, and quantum measurement.

Physics↗

Drainage enhances modern soil carbon contribution but reduces old soil carbon contribution to ecosystem respiration in tundra ecosystems

Abstract Warming temperatures are likely to accelerate permafrost thaw in the Arctic, potentially leading to the release of old carbon previously stored in deep frozen soil layers. Deeper thaw depths in combination with geomorphological changes due to the loss of ice structures in permafrost, may modify soil water distribution, creating wetter or drier soil conditions. Previous studies revealed higher ecosystem respiration rates under drier conditions, and this study investigated the cause of the increased ecosystem respiration rates using radiocarbon signatures of respired CO 2 from two drying manipulation experiments: one in moist and the other in wet tundra. We demonstrate that higher contributions of CO 2 from shallow soil layers (0–15 cm; modern soil carbon) drive the increased ecosystem respiration rates, while contributions from deeper soil (below 15 cm from surface and down to the permafrost table; old soil carbon) decreased. These changes can be attributed to more aerobic conditions in shallow soil layers, but also the soil temperature increases in shallow layers but decreases in deep layers, due to the altered thermal properties of organic soils. Decreased abundance of aerenchymatous plant species following drainage in wet tundra reduced old carbon release but increased aboveground plant biomass elevated contributions of autotrophic respiration to ecosystem respiration. The results of this study suggest that drier soils following drainage may accelerate decomposition of modern soil carbon in shallow layers but slow down decomposition of old soil carbon in deep layers, which may offset some of the old soil carbon loss from thawing permafrost.

Kwon, Min Jung↗

Proteogenomic characterization of difficult-to-treat breast cancer with tumor cells enriched through laser microdissection

Abstract Background Breast cancer (BC) is the most commonly diagnosed cancer and the leading cause of cancer death among women globally. Despite advances, there is considerable variation in clinical outcomes for patients with non-luminal A tumors, classified as difficult-to-treat breast cancers (DTBC). This study aims to delineate the proteogenomic landscape of DTBC tumors compared to luminal A (LumA) tumors. Methods We retrospectively collected a total of 117 untreated primary breast tumor specimens, focusing on DTBC subtypes. Breast tumors were processed by laser microdissection (LMD) to enrich tumor cells. DNA, RNA, and protein were simultaneously extracted from each tumor preparation, followed by whole genome sequencing, paired-end RNA sequencing, global proteomics and phosphoproteomics. Differential feature analysis, pathway analysis and survival analysis were performed to better understand DTBC and investigate biomarkers. Results We observed distinct variations in gene mutations, structural variations, and chromosomal alterations between DTBC and LumA breast tumors. DTBC tumors predominantly had more mutations inTP53,PLXNB3, Zinc finger genes, and fewer mutations inSDC2,CDH1,PIK3CA,SVIL, andPTEN. Notably, Cytoband 1q21, which contains numerous cell proliferation-related genes, was significantly amplified in the DTBC tumors. LMD successfully minimized stromal components and increased RNA–protein concordance, as evidenced by stromal score comparisons and proteomic analysis. Distinct DTBC and LumA-enriched clusters were observed by proteomic and phosphoproteomic clustering analysis, some with survival differences. Phosphoproteomics identified two distinct phosphoproteomic profiles for high relapse-risk and low relapse-risk basal-like tumors, involving several genes known to be associated with breast cancer oncogenesis and progression, includingKIAA1522,DCK,FOXO3,MYO9B,ARID1A,EPRS,ZC3HAV1, andRBM14. Lastly, an integrated pathway analysis of multi-omics data highlighted a robust enrichment of proliferation pathways in DTBC tumors. Conclusions This study provides an integrated proteogenomic characterization of DTBC vs LumA with tumor cells enriched through laser microdissection. We identified many common features of DTBC tumors and the phosphopeptides that could serve as potential biomarkers for high/low relapse-risk basal-like BC and possibly guide treatment selections.

Oncology↗

Triangular cross-section beam splitters in silicon carbide for quantum information processing

Abstract Triangular cross-section color center photonics in silicon carbide is a leading candidate for scalable implementation of quantum hardware. Within this geometry, we model low-loss beam splitters for applications in key quantum optical operations such as entanglement and single-photon interferometry. We consider triangular cross-section single-mode waveguides for the design of a directional coupler. We optimize parameters for a 50:50 beam splitter. Finally, we test the experimental feasibility of the designs by fabricating triangular waveguides in an ion beam etching process and identify suitable designs for short-term implementation.

42 ENGINEERING↗

Pluto and Triton: Interactions Between Volatiles and Dynamics

Volatiles moving across the surfaces of Pluto and Triton can give rise to interesting dynamical consequences. Conversely, measurement of dynamical states can help constrain the movement of volatiles and interior structure of both bodies. Polar wander may theoretically occur on both Triton and Pluto. Triton's obliquity is low, so that the equatorial regions receive more insolation than the poles. Hence there is a tendency for nitrogen ice to sublime at the equator and condense at the poles, creating polar caps. If the nitrogen supply is large enough, then these caps could move in approximately 10(exp 5) years the global equivalent of 200 m of ice to the poles. At this point the equatorial moment of inertia becomes larger than the moment of inertia measured about the rotation axis, so that Triton overbalances and becomes dynamically unstable. The satellite then undergoes polar wander, restoring stability when the new equator contains the excess matter. Hence the pole may be continually wandering. Neptune raises a permanent tidal bulge on Triton, so that the satellite's surface is elongated like a football, with the long axis pointing at Neptune. This is expected to be the axis about which the pole wanders. Volatile migration would resurface the satellite to some depth and wandering would disturb leading side/trailing side crater statistics. Additional information is contained in the original extended abstract.

Rubincam, D. P.↗

Influence of Yb{sub 2}O{sub 3} on electrical and microstructural characteristics of CaCu{sub 3}Ti{sub 4}O{sub 12} ceramics

Graphical abstract: Some Yb atoms entered in the lattice of CCTO substituted the Ca sites, the rest of Yb atoms concentrated at grain boundaries decreased the grain size. The dielectric constant was decreased by Yb doping. The dielectric loss of the CCTO could be greatly reduced at low frequency. - Highlights: • Yb atoms may take the place of Ca sites and concentrate at grain boundaries. • Tiny second phase corresponding to Yb may decrease the grain size. • Decrease of the grain size leads to the decrease of dielectric constant. • Yb doping could decrease the dielectric loss of CCTO. - Abstract: This paper focuses on the remarkable effects of Yb{sub 2}O{sub 3} doping on the microstructure and dielectric characteristics of CaCu{sub 3}Ti{sub 4}O{sub 12} (CCTO). Samples were prepared by the solid phase reaction method and sintered in air at 1030 °C for 12 h. X-ray diffraction and X-ray photoelectron spectroscopy studies confirm that the primary phase is CCTO. Some Yb{sup 3+} ions may substitute into the Ca site at the center or zenith sites of the CCTO lattice hexahedron, while the rest of the Yb atoms may concentrate at grain boundaries. The grain size of Yb{sub 2}O{sub 3}-doped CCTO ceramics were examined by scanning electron microscopy and demonstrate sharp grain size reduction with Yb{sub 2}O{sub 3} doping. From dielectric property measurements, the Yb{sub 2}O{sub 3} doping reduces the dielectric constant of CCTO, and the dielectric loss is also reduced.

36 MATERIALS SCIENCE↗

Automated Knowledge Discovery From Simulators

A computational method, SimLearn, has been devised to facilitate efficient knowledge discovery from simulators. Simulators are complex computer programs used in science and engineering to model diverse phenomena such as fluid flow, gravitational interactions, coupled mechanical systems, and nuclear, chemical, and biological processes. SimLearn uses active-learning techniques to efficiently address the "landscape characterization problem." In particular, SimLearn tries to determine which regions in "input space" lead to a given output from the simulator, where "input space" refers to an abstraction of all the variables going into the simulator, e.g., initial conditions, parameters, and interaction equations. Landscape characterization can be viewed as an attempt to invert the forward mapping of the simulator and recover the inputs that produce a particular output. Given that a single simulation run can take days or weeks to complete even on a large computing cluster, SimLearn attempts to reduce costs by reducing the number of simulations needed to effect discoveries. Unlike conventional data-mining methods that are applied to static predefined datasets, SimLearn involves an iterative process in which a most informative dataset is constructed dynamically by using the simulator as an oracle. On each iteration, the algorithm models the knowledge it has gained through previous simulation trials and then chooses which simulation trials to run next. Running these trials through the simulator produces new data in the form of input-output pairs. The overall process is embodied in an algorithm that combines support vector machines (SVMs) with active learning. SVMs use learning from examples (the examples are the input-output pairs generated by running the simulator) and a principle called maximum margin to derive predictors that generalize well to new inputs. In SimLearn, the SVM plays the role of modeling the knowledge that has been gained through previous simulation trials. Active learning is used to determine which new input points would be most informative if their output were known. The selected input points are run through the simulator to generate new information that can be used to refine the SVM. The process is then repeated. SimLearn carefully balances exploration (semi-randomly searching around the input space) versus exploitation (using the current state of knowledge to conduct a tightly focused search). During each iteration, SimLearn uses not one, but an ensemble of SVMs. Each SVM in the ensemble is characterized by different hyper-parameters that control various aspects of the learned predictor - for example, whether the predictor is constrained to be very smooth (nearby points in input space lead to similar output predictions) or whether the predictor is allowed to be "bumpy." The various SVMs will have different preferences about which input points they would like to run through the simulator next. SimLearn includes a formal mechanism for balancing the ensemble SVM preferences so that a single choice can be made for the next set of trials.

Burl, Michael↗

Evolution of carbide precipitates in Hastelloy N joints during welding and post weld heat treatment

Highlights: • The formation and spheroidization of the eutectic-like carbides are found in the Hastelloy N alloy during welding and PWHT. • All precipitates in the joints before and after the PWHT are identified as a M{sub 6}C type carbide with different morphology. • The diffusion of main element of Mo leads to the decrease of lattice parameter of the carbide during the welding and PWHT. - Abstract: The effects of welding and post weld heat treatment (PWHT) on the morphology, composition and lattice parameter of the precipitates in the welding joints of Hastelloy N alloy have been investigated. Joint samples were prepared using a gas tungsten arc welding process with ERNiMo-2 fillers, and then solid-solution treated at 1100 °C for 20 min. After welding, eutectic M{sub 6}C carbides can be observed in the heat affected zones (HAZ) and weld zones (WZ). These eutectic M{sub 6}C carbides become spheroidized during the following PWHT. The concentration of Si decreases during the transformation from the primary ones to eutectic ones, and then increases during the spheroidizing process. The total concentration of Si + Cr in M{sub 6}C carbides remains stable during welding and PWHT. At the same time, the heat leads to the outward diffusion of Mo from the M{sub 6}C carbides, which results in a decrease of the lattice parameter.

36 MATERIALS SCIENCE↗

Deposition Mitigation in Flowing Systems Using Coatings

Abstract In pipelines, solid compounds including gas hydrates and asphaltenes may form/precipitate and accumulate on the pipe surface, leading to a gradual stenosis of the flowline. As a result, production may become increasingly difficult or possibly interrupted if mitigation efforts are not enacted. Typically, injected chemicals will either inhibit nucleation or dissolve already-formed deposits to restore original flow conditions back to the system; however, this can be a costly option. More recently, management strategies have been proposed where solids are handled in a controlled fashion rather than completely avoided. One such proposed management strategy as suggested for wall deposit formation is the use of coatings. Here, coatings can provide a low surface energy layer on the pipe wall, which restricts liquid and solid accumulation, allowing for a stable slurry flow through a system. This study utilized two material formulations within several experimental setups to probe their interactions with water, gas hydrate, asphaltene, and crude oil. The results serve as part of an ongoing investigation into a surface treatment formulation that can be tested on larger-scale, fully flowing systems, which could be ultimately implemented into real-world production scenarios. The first surface treatment is a water-based polymeric surface that displays repellency to both oil and water phases (omniphobic). Testing of this material consisted of water contact angle measurements and static asphaltene/crude oil deposition quantification at atmospheric conditions, as well as visual confirmation of hydrate deposition prevention at high pressures. Additionally, an experimental superomniphobic surface treatment, which displays elevated resiliency to both water and hydrocarbons, was also examined within the asphaltene/crude oil test as a comparison to the omniphobic surface treatment. Static contact angle results showed that the omniphobic surface treatment had reduced surface interaction with water droplets in air, increasing the low contact angles of corroded surfaces (0-31°) to slightly hydrophobic conditions of 91.5°. Additionally, rocking cells tests indicated that these omniphobic surface treatments may prevent gas hydrate deposition under high-pressure, semi-flowing conditions. Multiple tests found that formed hydrate agglomerants did not deposit for at least 48 and 72 hours. Finally, static deposition tests conducted in crude oil with forced asphaltene precipitation suggested that the omniphobic surface treatment displayed a resistance to both asphaltenes and crude oil when compared to untreated and superomniphobic surfaces.

03 NATURAL GAS↗

Induced phase transformation in ionizable colloidal nanoparticles

Abstract Acid–base equilibria directly influence the functionality and behavior of particles in a system. Due to the ionizing effects of acid–base functional groups, particles will undergo charge exchange. The degree of ionization and their intermolecular and electrostatic interactions are controlled by varying the pH and salt concentration of the solution in a system. Although the pH can be tuned in experiments, it is hard to model this effect using simulations or theoretical approaches. This is due to the difficulty in treating charge regulation and capturing the cooperative effects in a colloidal suspension with Coulombic interaction. In this work, we analyze a suspension of ionizable colloidal particles via molecular dynamics (MD) simulations, along with Monte Carlo simulations for charge regulation (MC-CR) and derive a phase diagram of the system as a function of pH. It is observed that as pH increases, particles functionalized with acid groups change their arrangement from face-centered cubic (FCC) packing to a disordered state. We attribute these transitions to an increase in the degree of charge polydispersity arising from an increase in pH. Our work shows that charge regulation leads to amorphous solids in colloids when the mean nanoparticle charge is sufficiently high. Graphical abstract

36 MATERIALS SCIENCE↗

Reactivity of the Indenyl Radical (C 9 H 7 ) with Acetylene (C 2 H 2 ) and Vinylacetylene (C 4 H 4 )

The reactions of the indenyl radicals with acetylene (C 2 H 2 ) and vinylacetylene (C 4 H 4 ) is studied in a hot chemical reactor coupled to synchrotron based vacuum ultraviolet ionization mass spectrometry. These experimental results are combined with theory to reveal that the resonantly stabilized and thermodynamically most stable 1-indenyl radical (C 9 H 7 $^\bullet$) is always formed in the pyrolysis of 1-, 2-, 6-, and 7-bromoindenes at 1500 K. The 1-indenyl radical reacts with acetylene yielding 1-ethynylindene plus atomic hydrogen, rather than adding a second acetylene molecule and leading to ring closure and formation of fluorene as observed in other reaction mechanisms such as the hydrogen abstraction acetylene addition or hydrogen abstraction vinylacetylene addition pathways. While this reaction mechanism is analogous to the bimolecular reaction between the phenyl radical (C 6 H 5 $^\bullet$) and acetylene forming phenylacetylene (C 6 H 5 CCH), the 1-indenyl+acetylene→1-ethynylindene+hydrogen reaction is highly endoergic (114 kJ mol -1 ) and slow, contrary to the exoergic (-38 kJ mol -1 ) and faster phenyl+acetylene→phenylacetylene+hydrogen reaction. In a similar manner, no ring closure leading to fluorene formation was observed in the reaction of 1-indenyl radical with vinylacetylene. Finally, these experimental results are explained through rate constant calculations based on theoretically derived potential energy surfaces.

74 ATOMIC AND MOLECULAR PHYSICS↗

Random Polymerization Strategy Leads to a Family of Donor Polymers Enabling Well‐Controlled Morphology and Multiple Cases of High‐Performance Organic Solar Cells

Abstract Developing high‐performance donor polymers is important for nonfullerene organic solar cells (NF‐OSCs), as state‐of‐the‐art nonfullerene acceptors can only perform well if they are coupled with a matching donor with suitable energy levels. However, there are very limited choices of donor polymers for NF‐OSCs, and the most commonly used ones are polymers named PM6 and PM7, which suffer from several problems. First, the performance of these polymers (particularly PM7) relies on precise control of their molecular weights. Also, their optimal morphology is extremely sensitive to any structural modification. In this work, a family of donor polymers is developed based on a random polymerization strategy. These polymers can achieve well‐controlled morphology and high‐performance with a variety of chemical structures and molecular weights. The polymer donors are D–A1–D–A2‐type random copolymers in which the D and A1 units are monomers originating from PM6 or PM7, while the A2 unit comprises an electron‐deficient core flanked by two thiophene rings with branched alkyl chains. Consequently, multiple cases of highly efficient NF‐OSCs are achieved with efficiencies between 16.0% and 17.1%. As the electron‐deficient cores can be changed to many other structural units, the strategy can easily expand the choices of high‐performance donor polymers for NF‐OSCs.

Liang, Jiaen↗

Voltage‐Modulated Untwist Deformations and Multispectral Optical Effects from Ion Intercalation into Chiral Ceramic Nanoparticles

Abstract Reconfiguration of chiral ceramic nanostructures after ion intercalation should favor specific nanoscale twists leading to strong chiroptical effects. In this work, V 2 O 3 nanoparticles are shown to have “built‐in” chiral distortions caused by binding of tartaric acid enantiomers to the nanoparticle surface. As evidenced by spectroscopy/microscopy techniques and calculations of nanoscale chirality measures, the intercalation of Zn 2+ ions into the V 2 O 3 lattice results in particle expansion, untwist deformations, and chirality reduction. Coherent deformations in the particle ensemble manifest as changes in sign and positions of circular polarization bands at ultraviolet, visible, mid‐infrared (IR), near‐IR (NIR), and IR wavelengths. The g‐ factors observed for IR and NIR spectral diapasons are ≈100–400 times higher than those for previously reported dielectric, semiconductor, and plasmonic nanoparticles. Nanocomposite films layer‐by‐layer assembled (LBL) from V 2 O 3 nanoparticles reveal cyclic‐voltage‐driven modulation of optical activity. Device prototypes for IR and NIR range problematic for liquid crystals and other organic materials are demonstrated. High optical activity, synthetic simplicity, sustainable processability, and environmental robustness of the chiral LBL nanocomposites provide a versatile platform for photonic devices. Similar reconfigurations of particle shapes are expected for multiple chiral ceramic nanostructures, leading to unique optical, electrical, and magnetic properties.

36 MATERIALS SCIENCE↗