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DOE OSTI2024

Impact of Confinement and Zwitterionic Ligand Chemistry on Ion–Ion Selectivity of Functionalized Nanopores

Membranes incorporating zwitterionic chemistries have recently emerged as promising candidates for facilitating challenging ion–ion separations. Transport of ions in such membranes predominantly occurs in hydrated nanopores lined with zwitterionic monomers. Here, to shed light on the physics of ion–ion selectivity underlying such materials, we conducted molecular dynamics simulations of sodium halide transport in model nanopores grafted with sulfobetaine methacrylate molecules. Our results reveal that in both functionalized and unfunctionalized nanopores smaller ions prefer to reside near the pore center, while the larger ions tend to reside near the pore walls. An enhancement in the selective transport of larger anions is observed within the unfunctionalized nanopores relative to that in salt-in-water solutions. Upon functionalization of the nanopores with zwitterions (ZIs), the disparities in the anionic distribution profiles within the pores coupled with differences in the anion-ZI interactions result in a slowdown of larger anions relative to smaller anions. Increasing the ZI grafting density exacerbates these effects, further promoting the selective transport of smaller anions. Our results suggest that selectivity toward large anions can be realized by using nanoporous membranes with ZI content that is high enough to facilitate ion/water partitioning into the pores while preserving the characteristic tendency of the unfunctionalized pores to facilitate faster transport of the larger anions. On the other hand, selectivity toward smaller anions can be achieved by targeting ZI content within the pores that is high enough to significantly slow down the transport of large anions but not high enough to hinder the partitioning of ions/water molecules into the pore due to steric effects.

anions↗

NASA NTRS1960

The Origin of Tektites

Tektites are probably extraterrestrial, rather than the result of heating some terrestrial materials, because they are a chemically homogeneous group with definite peculiarities (high silica, excess of alkaline earths over alkalis, excess of potash over soda, absence of water), and because some of them (the australites) appear to have undergone ablation in flight through the atmosphere. Since comparatively slow heating is required to explain the liquefaction of the tektite material, it is suggested that the tektites arrived along orbits which were nearly parallel to the surface of the earth, and which resulted from the decay of the orbit of a natural satellite. The great meteor procession of February 9, 1913, is an example of such an object. Comparison with the reentry phenomena of the artificial satellite 1957 Beta suggests that the 1913 shower consisted of a single large stone weighing about 400 kilograms, and a few dozen smaller bodies weighing about 40 grams each, formed by ablation from the larger body. It is shown that under the observed conditions considerable liquid flow would be expected in the stone, which would be heated to about 2100 K. Objects falling from such a shower near the perigee point of the orbit would have a considerable distribution along the orbit as a result of slight variations in height or drag coefficient. The distribution in longitude would be made wider by the turning of the earth under the orbit during the time of fall. The ultimate source of the body which produces a tektite shower is probably the moon, which appears, by virtue of its polarization and the phase distribution of the returned light, to contain high-silica materials. It is suggested that the Igast object alleged to have fallen in 1855 is in fact genuine and represents an unmelted portion of the lunar crust.

OKeefe, J. A.↗

NASA NTRS1999

Circadian regulation of human sleep and age-related changes in its timing, consolidation and EEG characteristics

The light-entrainable circadian pacemaker located in the suprachiasmatic nucleus of the hypothalamus regulates the timing and consolidation of sleep by generating a paradoxical rhythm of sleep propensity; the circadian drive for wakefulness peaks at the end of the day spent awake, ie close to the onset of melatonin secretion at 21.00-22.00 h and the circadian drive for sleep crests shortly before habitual waking-up time. With advancing age, ie after early adulthood, sleep consolidation declines, and time of awakening and the rhythms of body temperature, plasma melatonin and cortisol shift to an earlier clock hour. The variability of the phase relationship between the sleep-wake cycle and circadian rhythms increases, and in old age sleep is more susceptible to internal arousing stimuli associated with circadian misalignment. The propensity to awaken from sleep advances relative to the body temperature nadir in older people, a change that is opposite to the phase delay of awakening relative to internal circadian rhythms associated with morningness in young people. Age-related changes do not appear to be associated with a shortening of the circadian period or a reduction of the circadian drive for wake maintenance. These changes may be related to changes in the sleep process itself, such as reductions in slow-wave sleep and sleep spindles as well as a reduced strength of the circadian signal promoting sleep in the early morning hours. Putative mediators and modulators of circadian sleep regulation are discussed.

Review, Tutorial↗

DOE OSTI2020

MULTI-DIMENSIONAL MODELING OF THE CFR ENGINE FOR THE INVESTIGATION OF SI NATURAL GAS COMBUSTION AND CONTROLLED END-GAS AUTOIGNITION

Engine knock and misfire are barriers to pathways leading to high-efficiency Spark-Ignited (SI) Natural Gas engines. The general tendency to knock is highly dependent on engine operating conditions and the fuel reactivity. The problem is further complicated by low emission limits and the wide range of chemical reactivity in pipeline quality natural gas. Depending on the region and the source of the natural gas, its reactivity, described by its methane number (analogous to the octane number for liquid SI fuels) can span from 65 - 95. In order to realize diesel-like efficiencies, SI natural gas engines must be designed to operate at high BMEP near knock limits over a wide range of fuel reactivity. This requires a deep understanding regarding the combustion-engine interactions pertaining to flame propagation and end-gas autoignition (EGAI). However, EGAI, if controlled, provides an opportunity to increase SI natural gas engine efficiency by increasing combustion rate and the total burned fuel, mitigating the effects of the slow flame speeds of natural gas fuels which generally reduce BMEP and increase unburned hydrocarbon emissions. For this reason, in order to study EGAI phenomenon, the present work highlights multi-dimensional computational fluid dynamics (CFD) models of the Cooperative Fuel Research (CFR) engine. The CFR engine models are used to investigate fuel-engine interactions that lead to EGAI with natural gas, including effects of fuel reactivity, engine operating parameters, and exhaust gas recirculation (EGR). A Three-Pressure Analysis, performed with GT-Power, was used to estimate initial and boundary conditions for the three-dimensional CFD model. CONVERGE CFD v2.4 was used for the three-dimensional CFD modeling where the level set G-Equation model and SAGE detailed chemical kinetics solver were used. An assessment of the different modeling approaches is also provided to evaluate their limitations, advantages and disadvantages, and for which situations they are most applicable. Model validation was performed with experimental data taken with a CFR engine over varying compression ratio, CA50, EGR fraction, and IMEP and shows good agreement in Peak Cylinder Pressure (PCP), PCP crank angle, and the location of the 10%, 50%, and 90% mass fraction burned (CA10, CA50, and CA90, respectively). The models can predict the onset crank angle and pressure rise rate for light, medium, and heavy EGAI under a variety of fuel reactivities and engine operating conditions.

Bestel, Diego↗

NASA NTRS2021

The Dynamic Formation of Pseudostreamers

Streamers and pseudostreamers structure the corona at the largest scales, as seen in both eclipse and coronagraph white-light images. Their inverted-goblet appearance encloses broad coronal loops at the Sun and tapers to a narrow radial stalk away from the star. The streamer associated with the global solar dipole magnetic field is long-lived, predominantly contains a single arcade of nested loops within it, and separates opposite-polarity interplanetary magnetic fields with the heliospheric current sheet anchored at its apex. Pseudostreamers, on the other hand, are transient, enclose double arcades of nested loops, and separate like-polarity fields with a dense plasma sheet. We use numerical magnetohydrodynamic simulations to calculate, for the first time, the formation of pseudostreamers in response to photospheric magnetic-field evolution. Convective transport of a minority-polarity flux concentration, initially positioned under one side of a streamer, through the streamer boundary into the adjacent, pre-existing coronal hole forms the pseudostreamer. Interchange magnetic reconnection at the overlying coronal null point(s) governs the development of the pseudostreamer above – and of anew, satellite coronal hole behind – the moving minority polarity. The reconnection dynamics liberate coronal-loop plasma that can escape into the heliosphere along so-called separatrix-web (“S-Web”)arcs, which reach far from the heliospheric current sheet and the solar equatorial plane, and can explain the origin of high-latitude slow solar wind. We describe the implications of our results for in-situ and remote-sensing observations of the corona and heliosphere as obtained, most recently, by Parker Solar Probe and Solar OrbiteR.

Roger B. Scott↗

NASA NTRS1989

Stable carbon and sulfur isotopes as records of the early biosphere

The abundance ratios of the stable isotopes of light elements such as carbon and sulfur can differ between various naturally-occurring chemical compounds. If coexisting compounds have achieved mutual chemical and isotopic equilibrium, then the relative isotopic composition can record the conditions at which equilibrium was last maintained. If coexisting chemical compounds indeed formed simultaneously but had not achieved mutual equilibrium, then their relative isotopic compositions often reflect the conditions and mechanisms associated with the kinetically controlled reactions responsible for their production. In the context of Mars, the stable isotopic compositions of various minerals might record not only the earlier environmental conditions of the planet, but also whether or not the chemistry of life ever occurred there. Two major geochemical reservoirs occur in Earth's crust, both for carbon and sulfur. In rocks formed in low temperature sedimentary environments, the oxidized forms of these elements tend to be enriched in the isotope having the larger mass, relative to the reduced forms. In sediments where the organics and sulfides were formed by biological processes, these isotopic contrasts were caused by the processes of biological CO2 fixation and dissimilatory sulfate reduction. Such isotopic contrasts between oxidized and reduced forms of carbon and sulfur are permitted by thermodynamics at ambient temperatures. However, nonbiological chemical reactions associated with the production of organic matter and the reduction of organics and sulfides are extremely slow at ambient temperatures. Thus the synthesis of organics and sulfides under ambient conditions illustrates life's profound role as a chemical catalyst that has altered the chemistry of Earth's crust. Because the stable isotopes of carbon and sulfur can reflect their chemistry, they are useful probes of the Martian surface.

Desmarais, David J.↗

DOE OSTI2021

Cellulosic biofuel production using emulsified simultaneous saccharification and fermentation (eSSF) with conventional and thermotolerant yeasts

Abstract Background Future expansion of corn-derived ethanol raises concerns of sustainability and competition with the food industry. Therefore, cellulosic biofuels derived from agricultural waste and dedicated energy crops are necessary. To date, slow and incomplete saccharification as well as high enzyme costs have hindered the economic viability of cellulosic biofuels, and while approaches like simultaneous saccharification and fermentation (SSF) and the use of thermotolerant microorganisms can enhance production, further improvements are needed. Cellulosic emulsions have been shown to enhance saccharification by increasing enzyme contact with cellulose fibers. In this study, we use these emulsions to develop an emulsified SSF (eSSF) process for rapid and efficient cellulosic biofuel production and make a direct three-way comparison of ethanol production between S. cerevisiae , O. polymorpha , and K. marxianus in glucose and cellulosic media at different temperatures. Results In this work, we show that cellulosic emulsions hydrolyze rapidly at temperatures tolerable to yeast, reaching up to 40-fold higher conversion in the first hour compared to microcrystalline cellulose (MCC). To evaluate suitable conditions for the eSSF process, we explored the upper temperature limits for the thermotolerant yeasts Kluyveromyces marxianus and Ogataea polymorpha , as well as Saccharomyces cerevisiae , and observed robust fermentation at up to 46, 50, and 42 °C for each yeast, respectively. We show that the eSSF process reaches high ethanol titers in short processing times, and produces close to theoretical yields at temperatures as low as 30 °C. Finally, we demonstrate the transferability of the eSSF technology to other products by producing the advanced biofuel isobutanol in a light-controlled eSSF using optogenetic regulators, resulting in up to fourfold higher titers relative to MCC SSF. Conclusions The eSSF process addresses the main challenges of cellulosic biofuel production by increasing saccharification rate at temperatures tolerable to yeast. The rapid hydrolysis of these emulsions at low temperatures permits fermentation using non-thermotolerant yeasts, short processing times, low enzyme loads, and makes it possible to extend the process to chemicals other than ethanol, such as isobutanol. This transferability establishes the eSSF process as a platform for the sustainable production of biofuels and chemicals as a whole.

09 BIOMASS FUELS↗

NASA NTRS2010

Using Whispering-Gallery-Mode Resonators for Refractometry

A method of determining the refractive and absorptive properties of optically transparent materials involves a combination of theoretical and experimental analysis of electromagnetic responses of whispering-gallery-mode (WGM) resonator disks made of those materials. The method was conceived especially for use in studying transparent photorefractive materials, for which purpose this method affords unprecedented levels of sensitivity and accuracy. The method is expected to be particularly useful for measuring temporally varying refractive and absorptive properties of photorefractive materials at infrared wavelengths. Still more particularly, the method is expected to be useful for measuring drifts in these properties that are so slow that, heretofore, the properties were assumed to be constant. The basic idea of the method is to attempt to infer values of the photorefractive properties of a material by seeking to match (1) theoretical predictions of the spectral responses (or selected features thereof) of a WGM of known dimensions made of the material with (2) the actual spectral responses (or selected features thereof). Spectral features that are useful for this purpose include resonance frequencies, free spectral ranges (differences between resonance frequencies of adjacently numbered modes), and resonance quality factors (Q values). The method has been demonstrated in several experiments, one of which was performed on a WGM resonator made from a disk of LiNbO3 doped with 5 percent of MgO. The free spectral range of the resonator was approximately equal to 3.42 GHz at wavelengths in the vicinity of 780 nm, the smallest full width at half maximum of a mode was approximately equal to 50 MHz, and the thickness of the resonator in the area of mode localization was 30 microns. In the experiment, laser power of 9 mW was coupled into the resonator with an efficiency of 75 percent, and the laser was scanned over a frequency band 9 GHz wide at a nominal wavelength of approximately equal to 780 nm. Resonance frequencies were measured as functions of time during several hours of exposure to the laser light. The results of these measurements, plotted in the figure, show a pronounced collective frequency drift of the resonator modes. The size of the drift has been estimated to correspond to a change of 8.5 x 10(exp -5) in the effective ordinary index of refraction of the resonator material.

Matsko, Andrey↗

DOE OSTI2025

Carbon monoxide chemistry of α-V70I Mo-nitrogenase: Evidence from EPR- and IR-monitored photolysis – or, what a difference a methyl makes

A critical step in the global nitrogen cycle is the conversion of dinitrogen into biologically accessible ammonia. In Nature this is accomplished by the nitrogenase (N 2 ase) family of enzymes. Carbon monoxide (CO) has long been known as an inhibitor of dinitrogen reduction by N 2 ase, but it can also be a substrate of the enzyme, when it is catalytically reduced to hydrocarbons. Understanding the CO interactions with N 2 ases are thus relevant to both dinitrogen fixation and Fischer-Tropsch-like chemistry. Here, in this work, the interaction of CO with the α-V70I variant of Azotobacter vinelandii MoFe N 2 ase was investigated using electron paramagnetic resonance (EPR) and infrared (IR) monitored photolysis of bound CO under cryogenic conditions. This was supplemented by further analysis of stopped-flow Fourier transform IR (SF-FT-IR) data under turnover conditions. The α-V70I variant adds a single methyl group close to the FeMo-cofactor active site, and the results show that this inhibits and slows, but does not substantially chemically change, the binding of CO to the FeMocofactor. The EPR spectra of both the hi-CO and lo-CO states closely resemble those from the wild-type enzyme. Similarly, the SF-FT-IR spectra of CO inhibited α-V70I and wild-type enzyme are strikingly similar, showing only small shifts in band energies which allow better interpretation of the published wild-type spectra. The extra carbon does, however, impact and inhibit the photochemical release and migration of CO at cryogenic temperatures, resulting in novel CO-bound species. These include a product species, termed Lo-1*, which may involve CO photochemically migrating on the FeMo-cofactor.

Carbon monoxide↗

DOE OSTI2023

Evidence for Bootstrap Percolation Dynamics in a Photoinduced Phase Transition

Upon intense femtosecond photo-excitation, a many-body system can undergo a phase transition through a non-equilibrium route, but understanding these pathways remains an outstanding challenge. Here, we use time-resolved second harmonic generation to investigate a photo-induced phase transition in Ca 3 Ru 2 O 7 and show that mesoscale inhomogeneity profoundly influences the transition dynamics. We observe a marked slowing down of the characteristic time τ that quantifies the transition between two structures. τ evolves non-monotonically as a function of photo-excitation fluence, rising from below 200 fs to ~1.4 ps, then falling again to below 200 fs. To account for the observed behavior, we perform a bootstrap percolation simulation that demonstrates how local structural interactions govern the transition kinetics. Finally, our work highlights the importance of percolating mesoscale inhomogeneity in the dynamics of photo-induced phase transitions and provides a model that may be useful for understanding such transitions more broadly.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2020

Modeling Photovoltaics Innovation and Deployment Dynamics

PV’s historically rapid cost reduction is exceptional among technologies. Further cost reductions could play a major role in increasing deployment in the future. To enable such cost reductions, new modeling frameworks are needed to understand the determinants of innovation in PV. In this project, we study the mechanisms driving PV module and system cost reductions, delving deeply into the specific technological innovations that have occurred in the past and the policies that encouraged them, and also opportunities for future cost reduction and widespread deployment. The project contributes new fundamental insight on the determinants of technological innovation by developing novel methods and insights that are generalizable and can therefore be applied to other technologies. The results will allow policy makers, engineers, and other stakeholders to better prioritize their efforts and investments in the future. The project is organized around four journal articles as described below. The first article [1] identifies ‘low-level’ (e.g. conversion efficiency improvement) and ‘high- level’ (e.g. R&D efforts) mechanisms of cost reduction in PV systems (Tasks 1-4). This work builds on a previous DOE grant, where we developed a framework for technological innovation leading to PV module cost reduction [2]. We advance a method to disentangle the contributions of physical (‘hardware’) and non-physical (‘soft technology’) changes. Our results uncover reasons behind the relatively slow evolution of soft technology and can inform new innovation approaches to these technologies. The second article [3] identifies specific engineering or institutional innovations that enabled the low-level mechanisms of cost reduction in PV module and balance-of-systems (BOS) (Tasks 5, 9, 10). We identify 85 innovations and connect them to the cost variables they affected. By developing an innovations typology, this study shows the differences between the types of innovations affecting PV modules and BOS components. Finally, by analyzing the industry origins of innovations, this study also finds that PV was well-positioned within an ecosystem of continuously advancing technologies. The third article [4] studies prospective cost reduction opportunities (Task 10). We explore how design approaches that emphasize standardization and automation, such as plug-and-play PV systems, can create cost reduction opportunities by reducing interactions and speeding up activities with high process costs. We show that this can lead to cost reduction in cost components with the most untapped opportunity for improvement such as installation labor, overhead, electrical BOS, and customer acquisition. The fourth article [5] analyzes how various policies supporting PV deployment and R&D contributed to PV’s cost improvement by enabling high-level mechanisms, specific innovations, and ultimately low-level mechanisms of cost reduction (Tasks 8, 13, 14). We investigate examples from different countries and connect these policies to quantifiable cost change mechanisms. Our study sheds light on the roles that different nations played over time, through a diverse set of policy approaches.

14 SOLAR ENERGY↗

NASA NTRS2001

Long-distance signaling within Coleus x hybridus leaves; mediated by changes in intra-leaf CO2?

Rapid long-distance signaling in plants can occur via several mechanisms, including symplastic electric coupling and pressure waves. We show here in variegated Coleus leaves a rapid propagation of electrical signals that appears to be caused by changes in intra-leaf CO2 concentrations. Green leaf cells, when illuminated, undergo a rapid depolarization of their membrane potential (Vm) and an increase in their apoplastic pH (pHa) by a process that requires photosynthesis. This is followed by a slower hyperpolarization of Vm and apoplastic acidification, which do not require photosynthesis. White (chlorophyll-lacking) leaf cells, when in isolated white leaf segments, show only the slow response, but when in mixed (i.e. green and white) segments, the rapid Vm depolarization and increase in pHa propagate over more than 10 mm from the green to the white cells. Similarly, these responses propagate 12-20 mm from illuminated to unilluminated green cells. The fact that the propagation of these responses is eliminated when the leaf air spaces are infiltrated with solution indicates that the signal moves in the apoplast rather than the symplast. A depolarization of the mesophyll cells is induced in the dark by a decrease in apoplastic CO2 but not by an increase in pHa. These results support the hypothesis that the propagating signal for the depolarization of the white mesophyll cells is a photosynthetically induced decrease in the CO2 level of the air spaces throughout the leaf.

NASA Discipline Plant Biology↗

DOE OSTI2023

Phonon-informed Neural Thermal Scattering (NeTS) Optimization for Crystalline Graphite and Beryllium Metal

Fast neutrons born from fission lose energy through scattering interactions in the process of slowing-down. As neutrons thermalize to the order of $k$ $b$ $T$ (where $k$ $b$ is the Boltzmann constant, and $T$ is the temperature of the medium), their de Broglie wavelength and energy approaches the order of inter-atomic spacing and quantized lattice vibrations, i.e., phonons. At thermal energies, the thermal scattering law (TSL), i.e., $S$($α, β$), captures crystal binding contributions to the total reaction rate, or cross section. This dimensionless material property describes the energy ($β$) and momentum ($α$) exchanges available in a medium. Currently, $S$($α, β$) is evaluated in the Full Law Analysis Scattering System Hub (FLASSH) code for discrete inputs and stored as ENDF/B File 7 for 0-phonon elastic (MT 2) and n-phonon inelastic (MT 4) processes. Further processing recasts $S$($α, β$) into cumulative distribution functions for sampling post-collision scattering kinematics. In practice, interpolation schemes are employed to access data between tabulated values. An improvement to this juncture of the nuclear data pipeline is supplying cross sections on-the-fly (OTF), as has been developed for the un-resolved resonance region to minimize non-physical interpolation errors. This capability may improve simulation accuracy for accident and transient analyses, where rapidly varying changes in temperature and pressure are difficult to predict beforehand. To do so, deep artificial neural networks (ANNs) can be employed which collapse non-linear, complex data into a lightweight dictionary of neural weights and biases. This has been successfully demonstrated for the hydrogen in light water $S$($α, β$) dataset in the form of a Neural Thermal Scattering (NeTS) module. In this work, the NeTS framework is extended to consider the impact of material-dependent dynamical features on optimal neural pre-processing and architecture design decisions, such as number of neurons per hidden layer, residual skip connections and neural depth. New NeTS modules for crystalline graphite and beryllium metal illuminate a novel correlation between dynamical nonlinearity and optimal neural parametrization when deploying $S$($α, β$) on-the-fly.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2024

Ambient energy for buildings: Beyond energy efficiency

The following Key Messages comprise the salient findings of this study: 1. Ambient energy (from sun, air, ground, and sky) can heat and cool buildings; provide hot water, ventilation and daylighting; dry clothes; and cook food. These services account for about three-quarters of building energy consumption and a third of total US demand. Biophilic design (direct and indirect connections with nature) is an intrinsic adjunct to ambient energy systems, and improves wellness and human performance. 2. The current strategy of electrification and energy efficiency for buildings will not meet our climate goals, because the transition to an all-renewable electric grid is too slow. Widespread adoption of ambient energy is needed. Solar-heated buildings also flatten the seasonal demand for electricity compared to all-electric buildings, reducing required production capacity and long-term energy storage. In addition, ambient-conditioned buildings improve resilience by remaining livable during power outages. 3. National policies, incentives, and marketing should be enacted to promote ambient energy use. Federal administrative priorities should reflect the importance of ambient energy for buildings. Use of ambient energy should be encouraged through existing and new building codes and standards. 4. Ambient energy system design tools are needed for architects, engineers, builders, building scientists, realtors, appraisers, and consumers. PVWatts is used over 100 million times per year for photovoltaic system design. A similar, simple, and accessible tool for ambient design is crucial. 5. Training on ambient energy is needed throughout secondary, post-secondary, and continuing education for workforce development. Currently, only about 10% of colleges teach courses on passive heating and cooling systems. 6. Ambient-conditioned buildings should be demonstrated in all US climate zones. Performance should be monitored and reported, with quantitative case studies made widely available. 7. While current technology is sufficient to build high-performance ambient buildings now, research is needed to develop new technologies to harness ambient energy more effectively and more economically. Such advancements will facilitate adoption of ambient energy technologies in a wider range of buildings, including retrofits. Examples include windows with much lower thermal losses, use of the building shell as thermal storage, alternative light-weight thermal storage systems, sky radiation cooling systems, automated controls for solar gains and passive cooling, and ground coupling.

14 SOLAR ENERGY↗

NASA NTRS2005

A Starfish Preplanetary Nebula: IRAS 19024+0044

Using the Hubble Space Telescope, we have imaged the OH/IR star IRAS 19024+0044 (I19024) at 0.6, 0.8, 1.1, and 1.6 micrometers, as part of our surveys of candidate preplanetary nebulae. The images show a multipolar nebula of size approximately equal to 3.'7 2.'3, with at least six elongated lobes emanating from the center of the nebula. Two of the lobes show limb-brightened tips having point-symmetric structure with respect to the expected location of the central star. The central region shows two dark bands southwest and northeast of a central shallow maximum that may be either two inclined dusty toroidal structures or the dense parts of a single wide, inhomogeneous, toroid. Avery faint, surface brightness-limited, diffuse halo surrounds the lobes. Long-slit/echelle optical spectroscopy obtained at the Mount Palomar and Keck observatories shows a spatially compact source of H(alpha) emission; the H(alpha) line shows a strong, narrow, central core with very broad (+/-1000 km/sec), weak wings, and a narrower blueshifted absorption feature signifying the presence of an approximately 100 km/sec(exp -1) outflow. The spectrum is characterized by a strong, relatively featureless, continuum and lacks the strong forbidden emission lines characteristic of planetary nebulae, confirming that IRAS 19024 is a preplanetary nebula; the spectral type for the central star, although uncertain, is most likely early G. Interferometric observations of the CO J = 1 -0 line emission with the Owens Valley Radio Interferometer show a marginally resolved molecular envelope (size 5.'5 x 4.'4) with an expansion velocity of 13 km/sec (exp -1), resulting from the asymptotic giant branch (AGB) progenitor's dense, slow wind. We derive a kinematic distance of 3.5 kpc to I19024, based on its radial velocity. The bolometric flux is 7:3 x 10(exp -9) erg s(exp -1) cm(exp -2), and the luminosity 2850 L. The relatively low luminosity of I19024, in comparison with stellar evolutionary models, indicates that the initial mass of its central star was approximately 1-1.5 solar mass. The lobes, which appear to be hollow structures with dense walls, have a total mass greater than or equal to about 0.02 solar mass. The lobes, which appear to be hollow structures with dense walls, have a total mass greater than or equal to about 0.02 solar mass. The dusty tori in the center have masses of a few times 10(exp -3) solar mass. The faint halo has a power-law radial surface brightness profile with an exponent of about -3 and most likely represents the remnant spherical circumstellar envelope formed as a result of constant mass loss during the AGB expansion age of less than or approximately equal to 2870 yr, giving a mass-loss rate of greater than or approximately equal to 10(exp -5) solar mass yr (exp -1), The far-infrared fluxes of I19024 indicate the presence of a large mass of cool dust in the nebula, from a simple model we infer the presence of 'cool' (109 K) and 'warm' (280 K) components of dust mass 5.7 x 10(exp -4) and 1.5 x 10(exp -7) solar mass. We discuss our results for I19024 in the light of past and current ideas for the dramatic transformation of the morphology and kinematics of mass-ejecta as AGB stars evolve into planetary nebulae.

circumstellar matter↗

DOE OSTI2025

Scalable 3D reconstruction for X-ray single particle imaging with online machine learning

X-ray free-electron lasers offer unique capabilities for measuring the structure and dynamics of biomolecules, helping us understand the basic building blocks of life. Notably, high-repetition-rate free-electron lasers enable single particle imaging, where individual, weakly scattering biomolecules are imaged under near-physiological conditions with the opportunity to access fleeting states that cannot be captured in cryogenic or crystallized conditions. Existing X-ray single particle reconstruction algorithms, which estimate the particle orientation for each image independently, are slow and memory-intensive when handling the massive datasets generated by emerging free-electron lasers. Here, we introduce X-RAI (X-Ray single particle imaging with Amortized Inference), an online reconstruction framework that estimates the structure of 3D macromolecules from large X-ray single particle datasets. X-RAI consists of a convolutional encoder, which amortizes pose estimation over large datasets, as well as a physics-based decoder, which employs an implicit neural representation to enable high-quality 3D reconstruction in an end-to-end, self-supervised manner. We demonstrate that X-RAI achieves state-of-the-art performance for small-scale datasets in simulation and challenging experimental settings and demonstrate its unprecedented ability to process large datasets containing millions of diffraction images in an online fashion. These abilities signify a paradigm shift in X-ray single particle imaging towards real-time reconstruction.

Computer science↗

DOE OSTI2021

Laser cooling of antihydrogen atoms

The photon—the quantum excitation of the electromagnetic field—is massless but carries momentum. A photon can therefore exert a force on an object upon collision 1 . Slowing the translational motion of atoms and ions by application of such a force 2,3 , known as laser cooling, was first demonstrated 40 years ago 4,5 . It revolutionized atomic physics over the following decades 6–8 , and it is now a workhorse in many fields, including studies on quantum degenerate gases, quantum information, atomic clocks and tests of fundamental physics. However, this technique has not yet been applied to antimatter. Here we demonstrate laser cooling of antihydrogen 9 , the antimatter atom consisting of an antiproton and a positron. By exciting the 1S–2P transition in antihydrogen with pulsed, narrow-linewidth, Lyman-α laser radiation 10,11 , we Doppler-cool a sample of magnetically trapped antihydrogen. Although we apply laser cooling in only one dimension, the trap couples the longitudinal and transverse motions of the anti-atoms, leading to cooling in all three dimensions. We observe a reduction in the median transverse energy by more than an order of magnitude—with a substantial fraction of the anti-atoms attaining submicroelectronvolt transverse kinetic energies. We also report the observation of the laser-driven 1S–2S transition in samples of laser-cooled antihydrogen atoms. The observed spectral line is approximately four times narrower than that obtained without laser cooling. The demonstration of laser cooling and its immediate application has far-reaching implications for antimatter studies. A more localized, denser and colder sample of antihydrogen will drastically improve spectroscopic 11–13 and gravitational 14 studies of antihydrogen in ongoing experiments. Furthermore, the demonstrated ability to manipulate the motion of antimatter atoms by laser light will potentially provide ground-breaking opportunities for future experiments, such as anti-atomic fountains, anti-atom interferometry and the creation of antimatter molecules.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

NASA NTRS2011

The Kepler Light Curves of V1504 Cygni and V344 Lyrae: A Study of the Outburst Properties

We examine the Kepler light curves of V1504 Cyg and V344 Lyr, encompassing approximately 460 d at 1 min cadence. During this span each system exhibited approximately 40 outbursts, including four superoutbursts. We find that, in both systems, the normal outbursts lying between two superoutbursts increase in duration by a factor approximately 1.2 - 1.7, and then reset to a small value after the following superoutburst. In V344 Lyr the trend of quiescent intervals between normal outbursts is to increase to a local maximum about half way through the supercycle the interval from one superoutburst to the next - and then to decrease back to a small value by the time of the next superoutburst, whereas for V1504 Cyg the quiescent intervals are relatively constant during the supercycle. Both of these trends are inconsistent with the Osaki's thermal-tidal model, which robustly predicts a secular increase in the quiescent intervals between normal outbursts during a supercycle. Also, most of the normal outbursts have an asymmetric, fast-rise/slower-decline shape, which would be consistent with outbursts triggered at large radii. The exponential rate of decay of the plateau phase of the superoutbursts is 8 d mag(sup -1) for approximately 1504 Cyg and 12 d mag(sup -1) for V344 Lyr. This time scale gives a direct measure of the VISCOUS time scale III the outer accretion disk given the expectation that the entire disk is in the hot, viscous state during superoutburst. The resulting constraint on the Shakura-Sunyaev parameter, alpha(sub hot) approximately equal to 0.1, is consistent with the value inferred from the fast dwarf nova decays. By looking at the slow decay rate for superoutbursts, which occur in systems below the period gap, in combination with the slow decay rate in one long outburst above the period gap (in U Gem), we infer a steep dependence of the decay rate on orbital period for long outbursts. We argue that this relation implies a steep dependence of alpha(sub cold) on orbital period, which may be consistent with recent findings of Patterson, and is consistent with tidal torquing as being the dominant angular momentum transport mechanism in quiescent disks in interacting binary systems.

Cannizzo, John K.↗