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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 415 records · Page 23
All sourcesNASA NTRSDOE OSTI
DOE OSTI2018

Schrödinger potentials solvable in terms of the general Heun functions

Highlights: •There are 35 Schrödinger potentials solvable in terms of the Heun functions. •Only 11 of the potentials are independent. •9 potentials have sub-potentials with solution via a single hypergeometric function. •Many subpotentials are solved through a combination of two hypergeometric functions. •A generalization of the third exactly solvable hypergeometric potential is presented. -- Abstract: We show that there exist 35 choices for the coordinate transformation each leading to a potential for which the stationary Schrödinger equation is exactly solvable in terms of the general Heun functions. Because of the symmetry of the Heun equation with respect to the transposition of its singularities only eleven of these potentials are independent. Four of these independent potentials are always explicitly written in terms of elementary functions, one potential is given through the Jacobi elliptic sn-function, and the others are in general defined parametrically. Nine of the independent potentials possess exactly or conditionally integrable hypergeometric sub-potentials for which each of the fundamental solutions of the Schrödinger equation is written through a single hypergeometric function. Many of the potentials possess sub-potentials for which the general solution is written through fundamental solutions each of which is a linear combination of two or more Gauss hypergeometric functions. We present an example of such a potential which is a conditionally integrable generalization of the third exactly solvable Gauss hypergeometric potential.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Synthesis of metal-adeninate frameworks with high separation capacity on C{sub 2}/C{sub 1} hydrocarbons

By introducing isophthalic acid or 2,5-thiophenedicarboxylic acid to assemble with adenine and cadmium salt, two isostructural and anionic porous metal-organic frameworks (1 and 2) possessing the novel (4,8)-connected sqc topology are presented here. 1 shows permanent porosity with Langmuir surface area of 770.1 m{sup 2}/g and exhibits high separation capacity on C{sub 2}/C{sub 1} hydrocarbons. - Graphical abstract: The assembly between isophthalic acid, adenine ligands and Cd{sup 2+} ions leads to an anionic porous metal-organic frameworks, which shows permanent porosity and exhibits high C{sub 2}/C{sub 1} hydrocarbons separation capacity. Display Omitted.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2016

Investigation of the transport properties and compositions of the Ca{sub 2}RE{sub 7}Pn{sub 5}O{sub 5} series (RE=Pr, Sm, Gd, Dy; Pn=Sb, Bi)

The Ca{sub 2}RE{sub 7}Pn{sub 5}O{sub 5} phases (RE=Pr, Sm, Gd, Dy; Pn=Sb, Bi) were successfully prepared from high temperature reactions at 1225–1300 °C. These phases maintain the same structure types as the parent RE{sub 9}Pn{sub 5}O{sub 5} phases, except for a Ca/RE mixing. The study and preparation of these phases was motivated by the desire to shift the metallic type properties of the parent RE{sub 9}Pn{sub 5}O{sub 5} phases to a level more suitable for thermoelectric applications. Electrical resistivity measurements performed on pure, bulk samples indicated all phases to be narrow band gap semiconductors or semimetals, supporting the charge balanced electron count of the Ca{sub 2}RE{sub 7}Pn{sub 5}O{sub 5} composition. Unfortunately, all samples are too electrically resistive for any potential usage as thermoelectrics. Electronic band structure calculations performed on idealized RE{sub 9}Pn{sub 5}O{sub 5} structures revealed the presence of a pseudogap at the Fermi level, which is consistent with the observed electrical resistivity and Seebeck coefficient behavior. - Graphical abstract: Ca substitution in RE{sub 9}Pn{sub 5}O{sub 5} leads to charge-balanced Ca{sub 2}RE{sub 7}Pn{sub 5}O{sub 5} phases with semiconducting or semimetallic properties. - Highlights: • The RE{sub 9}Pn{sub 5}O{sub 5} structure may be stabilized with calcium substitution in the form of Ca{sub 2}RE{sub 7}Pn{sub 5}O{sub 5}. • The Ca{sub 2}RE{sub 7}Pn{sub 5}O{sub 5} phases maintain the parent P 4/n structure, albeit with Ca/RE mixing. • The Ca{sub 2}RE{sub 7}Sb{sub 5}O{sub 5} phases behave as semiconductors while Ca{sub 2}RE{sub 7}Bi{sub 5}O{sub 5} are semimetals with electron-electron correlations. • Electronic structure calculations yield a semimetal-like density of states for both Ca{sub 2}RE{sub 7}Sb{sub 5}O{sub 5} and Ca{sub 2}RE{sub 7}Bi{sub 5}O{sub 5}.

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

Quantum fluctuations drive nonmonotonic correlations in a qubit lattice

Abstract Fluctuations may induce the degradation of order by overcoming ordering interactions, consequently leading to an increase of entropy. This is particularly evident in magnetic systems characterized by nontrivial, constrained disorder, where thermal or quantum fluctuations can yield counterintuitive forms of ordering. Using the proven efficiency of quantum annealers as programmable spin system simulators, we present a study based on entropy postulates and experiments on a platform of programmable superconducting qubits to show that a low level of uncertainty can promote ordering in a system impacted by both thermal and quantum fluctuations. A set of experiments is proposed on a lattice of interacting qubits arranged in a triangular geometry with precisely controlled disorder, effective temperature, and quantum fluctuations. Our results demonstrate the creation of ordered ferrimagnetic and layered anisotropic disordered phases, displaying characteristics akin to the elegant order-by-disorder phenomenon. Extensive experimental evidence is provided for the role of quantum fluctuations in lowering the total energy of the system by increasing entropy and defect clustering. Our thorough and comprehensive application of an intentionally introduced noise on a quantum platform provides insight into the dynamics of defects and fluctuations in quantum devices, which may help to reduce the cost associated with quantum processing.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2019

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↗
DOE OSTI2024

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↗
DOE OSTI2024

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)↗
DOE OSTI2024

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↗
DOE OSTI2019

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↗
DOE OSTI2024

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↗
DOE OSTI2024

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↗
DOE OSTI2015

A simple route for making surfactant free lead sulfide (PbS) quantum dots

Highlights: • Surfactant free PbS NCs were successfully synthesised using CoSP technique. • The technique eliminates the requirements of washing to remove the ligands. • Grinding using mortar and pestle creates well separated PbS QDs. • Surfactant free PbS NCs are stable and do not show any degradation with time. - Abstract: An efficient, cost effective and less time consuming method suitable for mass production of surfactant free quantum dots (QDs) of lead sulfide (PbS) is reported. PbS nanocrystals (NCs) are first synthesised by continuous spray pyrolysis (CoSP) technique and de-agglomeration into PbS quantum dots (QDs) is achieved by vigorous mechanical grinding using mortar and pestle. Lead acetate and thiourea were used as the precursor materials for preparation of surfactant free PbS NCs. The broadening in XRD peaks of ground NCs as compared to as synthesized PbS NCs clearly indicated the reduction in particle size to be QDs of PbS. The TEM images also showed that ground PbS NCs were nearly spherical in shape having an average diameter in the range of 4–6 nm. The shift in optical gap from 0.41 eV to 1.47 eV supported the QD formation.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

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↗
DOE OSTI2018

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↗
DOE OSTI2019

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↗
DOE OSTI2023

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↗
DOE OSTI2019

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↗