Automated extraction of physical parameters from experimentally obtained thermal profiles using a machine learning approach
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99 GENERAL AND MISCELLANEOUS↗
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Comparative Analysis of Corrinoid Profiles across Host-Associated and Environmental Samples
Vitamin B 12 (the cyanated form of cobalamin cofactors) is best known for its essential role in human health. In addition to its function in human metabolism, cobalamin also plays important roles in microbial metabolism and can impact microbial community function. Cobalamin is a member of the structurally diverse family of cofactors known as cobamides that are produced exclusively by certain prokaryotes. Cobamides are considered shared nutrients in microbial communities because the majority of bacteria that possess cobamide-dependent enzymes cannot synthesize cobamides de novo. Furthermore, different microbes have evolved metabolic specificity for particular cobamides, and therefore, the availability of cobamides in the environment is important for cobamide-dependent microbes. Determining the cobamides present in an environment of interest is essential for understanding microbial metabolic interactions. By examining the abundances of different cobamides in diverse environments, including 10 obtained in this study, we find that, contrary to its preeminence in human metabolism, cobalamin is relatively rare in many microbial habitats. Comparison of cobamide profiles of mammalian gastrointestinal samples and wood-feeding insects reveals that host-associated cobamide abundances vary and that fecal cobamide profiles differ from those of their host gastrointestinal tracts. Environmental cobamide profiles obtained from aquatic, soil, and contaminated groundwater samples reveal that the cobamide compositions of environmental samples are highly variable. As the only commercially available cobamide, cobalamin is routinely supplied during microbial culturing efforts. Furthermore, these findings suggest that cobamides specific to a given microbiome may yield greater insight into nutrient utilization and physiological processes that occur in these habitats.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
Exploration of ion temperature profile measurements at JET using the upgraded neutron profile monitor
The neutron profile monitor (NPM), routinely used at the Joint European Torus for neutron emissivity profile measurements, consists of two fan-shaped arrays of collimators and each line of sight (LOS) is equipped with a NE213 liquid organic scintillator for simultaneous measurements of the 2.5 MeV and 14 MeV neutrons. A digital system developed in ENEA has replaced the analog acquisition electronics and now enables the NPM to perform spatially resolved neutron spectrometry by providing neutron pulse height spectra (PHS) for each LOS. However, the NPM was not originally designed as a spectrometer and, therefore, lacks several key features, such as detailed measurements of the detector response functions and the presence of detector stability monitors. We present a proof of principle of ion temperature profile measurements derived from the NPM PHS in high plasma current discharges using simulated detector response functions.
46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
Integrated modeling of temperature profiles in L-mode tokamak discharges
Simulations of doublet III-D, the joint European tokamak, and the tokamak fusion test reactor L-mode tokamak plasmas are carried out using the PTRANSP predictive integrated modeling code. The simulation and experimental temperature profiles are compared. The time evolved temperature profiles are computed utilizing the Multi-Mode anomalous transport model version 7.1 (MMM7.1) which includes transport associated with drift-resistive-inertial ballooning modes (the DRIBM model [T. Rafiq et al., Phys. Plasmas 17, 082511 (2010)]). The tokamak discharges considered involved a broad range of conditions including scans over gyroradius, ITER like current ramp-up, with and without neon impurity injection, collisionality, and low and high plasma current. The comparison of simulation and experimental temperature profiles for the discharges considered is shown for the radial range from the magnetic axis to the last closed flux surface. The regions where various modes in the Multi-Mode model contribute to transport are illustrated. In the simulations carried out using the MMM7.1 model it is found that: The drift-resistive-inertial ballooning modes contribute to the anomalous transport primarily near the edge of the plasma; transport associated with the ion temperature gradient and trapped electron modes contribute in the core region but decrease in the region of the plasma boundary; and neoclassical ion thermal transport contributes mainly near the center of the discharge.
70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
Real-space Green;s function calculations of Compton profiles
We report the development of a first-principles, real-space Green's function method for calculation of Compton profiles in the impulse approximation. For crystalline Be, we find excellent agreement with prior theoretical treatments requiring periodicity, with prior experimental measurements of the Compton profile, and with present measurements of the dynamical structure factor via nonresonant inelastic x-ray scattering (often also called x-ray Thomson scattering in the plasma physics community). We also find good agreement with prior experimental results for the Compton profile of Cu. This approach can be extended to disordered and very high-temperature systems, such as 'warm dense matter,' where theories presently used for the interpretation of inelastic x-ray scattering include condensed phase effects only at a perturbative level.
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
Interface properties and built-in potential profile of a LaCr O 3 / SrTi O 3 superlattice determined by standing-wave excited photoemission spectroscopy
LaCrO 3 (LCO)/SrTiO 3 (STO) heterojunctions are intriguing due to a polar discontinuity along [001], exhibiting two distinct and controllable charged interface structures [(LaO) + /(TiO 2 ) 0 and (SrO) 0 /(CrO 2 ) - ] with induced polarization, and a resulting depth-dependent potential. In this study, we have used soft- and hard-x-ray standing-wave excited photoemission spectroscopy (SW-XPS) to quantitatively determine the elemental depth profile, interface properties, and depth distribution of the polarization-induced built-in potentials. We observe an alternating charged interface configuration: a positively charged (LaO) + /(TiO 2 ) 0 intermediate layer at the LCO top /STO bottom interface and a negatively charged (SrO) 0 /(CrO 2 ) - intermediate layer at the STO top /LCO bottom interface. Using core-level SW data, we have determined the depth distribution of species, including through the interfaces, and these results are in excellent agreement with scanning transmission electron microscopy and electron energy-loss spectroscopy mapping of local structure and composition. SW-XPS also enabled deconvolution of the LCO and STO contributions to the valence-band (VB) spectra. Using a two-step analytical approach involving first SW-induced core-level binding-energy shifts and then VB modeling, the variation in potential across the complete superlattice is determined in detail. As a result, this potential is in excellent agreement with density functional theory models, confirming this method as a generally useful tool for interface studies.
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
SURFACE BRIGHTNESS PROFILES OF DWARF GALAXIES. II. COLOR TRENDS AND MASS PROFILES
In this second paper of a series, we explore the B − V , U − B , and FUV−NUV radial color trends from a multi-wavelength sample of 141 dwarf disk galaxies. Like spirals, dwarf galaxies have three types of radial surface brightness profiles: (I) single exponential throughout the observed extent (the minority), (II) down-bending (the majority), and (III) up-bending. We find that the colors of (1) Type I dwarfs generally become redder with increasing radius, unlike spirals which have a blueing trend that flattens beyond ∼1.5 disk scale lengths, (2) Type II dwarfs come in six different “flavors,” one of which mimics the “U” shape of spirals, and (3) Type III dwarfs have a stretched “S” shape where the central colors are flattish, become steeply redder toward the surface brightness break, then remain roughly constant beyond, which is similar to spiral Type III color profiles, but without the central outward bluing. Faint (−9 > M{sub B} > −14) Type II dwarfs tend to have continuously red or “U” shaped colors and steeper color slopes than bright (−14 > M{sub B} > −19) Type II dwarfs, which additionally have colors that become bluer or remain constant with increasing radius. Sm dwarfs and BCDs tend to have at least some blue and red radial color trend, respectively. Additionally, we determine stellar surface mass density (Σ) profiles and use them to show that the break in Σ generally remains in Type II dwarfs (unlike Type II spirals) but generally disappears in Type III dwarfs (unlike Type III spirals). Moreover, the break in Σ is strong, intermediate, and weak in faint dwarfs, bright dwarfs, and spirals, respectively, indicating that Σ may straighten with increasing galaxy mass. Finally, the average stellar surface mass density at the surface brightness break is roughly 1−2 M {sub ⊙} pc{sup −2} for Type II dwarfs but higher at 5.9 M {sub ⊙} pc{sup −2} or 27 M {sub ⊙} pc{sup −2} for Type III BCDs and dIms, respectively.
79 ASTRONOMY AND ASTROPHYSICS↗
Formation of electron bunches with tailored current profiles using multi-frequency linacs
Tailoring an electron bunch with specific current profile can provide substantial enhancement of the transformer ratio in beam-driven acceleration methods. We present a method relying on the use of a linac with accelerating sections operating at different frequencies followed by a magnetic bunch compressor. The experimental verfification of the technique in a two-frequency linac is presented. The compatibility of the proposed technique with the formation and acceleration of a drive and witness bunches is numerically demonstrated.
43 PARTICLE ACCELERATORS↗
Midplane neutral density profiles in the National Spherical Torus Experiment
Atomic and molecular density data in the outer midplane of NSTX [Ono et al., Nucl. Fusion 40, 557 (2000)] are inferred from tangential camera data via a forward modeling procedure using the DEGAS 2 Monte Carlo neutral transport code. The observed Balmer-β light emission data from 17 shots during the 2010 NSTX campaign display no obvious trends with discharge parameters such as the divertor Balmer-α emission level or edge deuterium ion density. Simulations of 12 time slices in 7 of these discharges produce molecular densities near the vacuum vessel wall of 2–8 × 10{sup 17 }m{sup −3} and atomic densities ranging from 1 to 7 × 10{sup 16 }m{sup −3}; neither has a clear correlation with other parameters. Validation of the technique, begun in an earlier publication, is continued with an assessment of the sensitivity of the simulated camera image and neutral densities to uncertainties in the data input to the model. The simulated camera image is sensitive to the plasma profiles and virtually nothing else. The neutral densities at the vessel wall depend most strongly on the spatial distribution of the source; simulations with a localized neutral source yield densities within a factor of two of the baseline, uniform source, case. The uncertainties in the neutral densities associated with other model inputs and assumptions are ≤50%.
70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
A method for modeling battery-temperature-aware EV power profiles utilizing Next-Gen Profile data
With the expected increase in the number of electric vehicles (EVs) on the road in the coming years, it is important that analysis tools are capable of modeling and predicting the expected load on the power grid due to both individual EV charging sessions as well as large populations of vehicles. To do this accurately, the power profile of an EV charge session must be accurately modeled, including for scenarios where the temperature is above or below the ideal, and also take into account the nuances of manufacturer charging preferences. This paper introduces a method that utilizes the data in the Next-Gen Profile (NGP) data collection project to build a model of EV charging that takes into account the variations in charging power that occur due to off-nominal battery temperature and manufacturer preferences that limit power due to cold temperatures or high battery state-of-charge.
24 - POWER TRANSMISSION AND DISTRIBUTION↗
Tall Tower Vertical Profiles and Diurnal Trends of Ammonia in the Colorado Front Range: Tall Tower Vertical Profiles of Ammonia
Ammonia (NH 3 ) mixing ratios were measured between the surface and 280 m aboveground level from a moveable carriage at the Boulder Atmospheric Observatory tower in summer 2014 as part of the Front Range Air Pollution and Photochemistry Éxperiment. The campaign median mixing ratio was 3.3 ppb, ranging from below detection limits to 192 ppb. Median vertical profiles show an overall increase in NH 3 mixing ratios toward the surface of 6.7 ppb (89%) during the day and 3.9 ppb (141%) at night. In contrast to the overall increasing trend, some individual profiles show decreasing NH 3 in the lowest 10 m. This suggests that the local surface is capable of acting as either a source or a sink, depending on the relative amounts of NH 3 at the surface, and in advected air parcels. We further use this data set to investigate the variation in diurnal patterns of NH 3 as a function of height above the surface. At higher altitudes (100 ± 5 and 280 ± 5 m), NH 3 mixing ratios reach a gradual maximum during the day between 9:00 and 16:00 local time, likely driven by changes in source region. At lower altitudes (10 ± 5 m), the daytime maximum begins earlier at about 7:00 local time, followed by a sharper increase at 9:00 local time. At this height we also observe a peak in NH3 mixing ratios during the night, likely driven by the trapping of emitted NH 3 within the shallower nocturnal boundary layer.
54 ENVIRONMENTAL SCIENCES↗
Fabrication of nested elliptical KB mirrors using profile coating for synchrotron radiation X-ray focusing
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nuclear (including radiation effects), defects, me↗
Nanodroplet processing platform for deep and quantitative proteome profiling of 10–100 mammalian cells
Nanoscale or single cell technologies are critical for biomedical applications. However, current mass spectrometry (MS)-based proteomic approaches require samples comprising a minimum of thousands of cells to provide in-depth profiling. Here, we report the development of a nanoPOTS (Nanodroplet Processing in One pot for Trace Samples) platform as a major advance in overall sensitivity. NanoPOTS dramatically enhances the efficiency and recovery of sample processing by downscaling processing volumes to <200 nL to minimize surface losses. When combined with ultrasensitive LC-MS, nanoPOTS allows identification of ~1500 to ~3,000 proteins from ~10 to ~140 cells, respectively. By incorporating the Match Between Runs algorithm of MaxQuant, >3000 proteins were consistently identified from as few as 10 cells. Furthermore, we demonstrate robust quantification of ~2400 proteins from single human pancreatic islet thin sections from type 1 diabetic and control donors, illustrating the application of nanoPOTS for spatially resolved proteome measurements from clinical tissues.
Environmental Molecular Sciences Laboratory↗
Nanowell-mediated two-dimensional liquid chromatography enables deep proteome profiling of <1000 mammalian cells
Miniaturized multidimensional peptide separations can greatly increase the coverage in proteome profiling for trace samples.
59 BASIC BIOLOGICAL SCIENCES↗
Accelerated computation of free energy profile at ab initio quantum mechanical/molecular mechanical accuracy via a semi-empirical reference potential. II. Recalibrating semi-empirical parameters with force matching
An efficient and accurate reference potential simulation protocol is proposed for producing ab initio quantum mechanical/molecular mechanical (AI-QM/MM) quality free energy profiles for chemical reactions in a solvent or macromolecular environment.
Pan, Xiaoliang↗
Computational modeling of Krypton gas puffs with tailored mass density profiles on Z
Large diameter multi-shell gas puffs rapidly imploded by high current (~20 MA, ~100 ns) on the Z generator of Sandia National Laboratories are able to produce high-intensity Krypton K-shell emission at ~13 keV. Efficiently radiating at these high photon energies is a significant challenge which requires the careful design and optimization of the gas distribution. To facilitate this, we hydrodynamically model the gas flow out of the nozzle and then model its implosion using a 3-dimensional resistive, radiative MHD code (GORGON). This approach enables us to iterate between modeling the implosion and gas flow from the nozzle to optimize radiative output from this combined system. Furthermore, guided by our implosion calculations, we have designed gas profiles that help mitigate disruption from Magneto-Rayleigh–Taylor implosion instabilities, while preserving sufficient kinetic energy to thermalize to the high temperatures required for K-shell emission.
97 MATHEMATICS AND COMPUTING↗