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At least 1,639 records · Page 91

Impact of hydrogen bonding pendant groups in polymer grafted nanoparticles on interlayer adhesion and mechanical properties in material extrusion printing

The addition of nanoparticles or copolymer grafted nanoparticles (CPGNPs) to polymeric matrices greatly improves thermomechanical properties of the resulting nanocomposite, but corresponding studies of nanocomposite systems created by 3D printing are few, especially in the realm of functional polymeric materials. Here we describe how silica nanoparticle-grafted, random copolymers of poly(methyl methacrylate-random-2-uriedo-[1H]-pyrimidinone methacrylate) (P(MMA-r-UPyMA) dramatically increases the mechanical properties of poly(methyl methacrylate) (PMMA) based nanocomposite specimens created by melt extrusion printing. Most notably, when these novel CPGNPs are combined with PMMA matrix chains via a solution-based process, printed specimens containing only 0.5 wt% additive show significant increases in Young’s modulus (90%), storage modulus (93%), tensile modulus (148%) and ultimate tensile strength (110%). These improvements are ascribed to strengthening of adhesion across interfaces due to multi-point hydrogen bonding between UPyMA groups, the reinforcement effect of the P(MMA-r-UPyMA)-grafted silica nanoparticles, as well as hydrogen bonding interactions and entanglements between graft and matrix chains. Imaging of fracture surfaces after tensile testing reveals that in comparison to nanocomposites created by simple mechanical mixing of solids, the solution-casting process improves the dispersion of nanoparticles and reduces the void spaces between printed roads. These studies demonstrate that introducing functionality into polymer grafts, such as hydrogen bonding interactions, and intimate mixing of polymer-modified nanomaterials can greatly improve interlayer adhesion and mechanical properties, thereby advancing this method of polymer additive manufacturing

36 MATERIALS SCIENCE↗

Binary pseudo-random array standards for calibration of 3D optical surface profilers used for metrology with significantly curved x-ray optics

High-accuracy metrology is vitally important in manufacturing ultra-high-quality free-form mirrors designed to manipulate X-ray light with nanometer-scale wavelengths. The current capabilities and possibility for improvements in X-ray mirror manufacturing are limited by inherent imperfections of the integrated metrology tools. In the case of Fizeau interferometry, metrology tools are currently calibrated with super-polished flat test-standard/reference mirrors. This is acceptable for measuring slightly curved X-ray optics. However, for even moderately curved aspherical X-ray mirrors the flat-reference calibration is not sufficiently accurate and stitching Fizeau interferometer-based surface metrology is used to mitigate the problem. But still, the retrace and aberration errors, as well as the limited spatial resolution, described with the instrument transfer function (ITF), can be transferred into the optical surface topography of X-ray mirrors obtained in stitching metrology. For ITF calibration, we have developed an original technique, based on test standards structured as two-dimensional (2D) highly-randomized (HR) binary pseudo-random arrays (BPRAs). The technique employs the unique properties of the HR BPRA patterns in the spatial frequency domain., i.e. the inherent 2D power spectral density of the HR BPRA pattern has a deterministic white-noise-like character that allows direct determination of the ITF with uniform sensitivity over the entire spatial frequency range and field-of-view of an instrument. Here, we explore technological, metrological, and analytical aspects essential for calibration of the retrace and aberration errors of Fizeau interferometers using different types of tilted test samples, including a super-polished reference mirror for the re-trace calibration and the uniformly redundant array (URA) BPRA standards for the geometrical distortion (aberration) calibration. While the first method was previously demonstrated by researchers at DIAMOND Light Source, a method based on the URA BPRA is described and demonstrated here for the first time. We outline the design and fabrication process used in fabrication of URA BPRA test standards, and present the results of application of the URA BPRA standards demonstrating the high efficacy of our approach to geometrical distortion calibration of Fizeau interferometers. We also discuss the possible sources of unexpected peculiarities of the systematic errors, including an astigmatic character of the retrace error, observed with Fizeau interferometers at the Advanced Light Source X-Ray Optics Laboratory.

Munechika, Keiko↗

Extended Fayans energy density functional: optimization and analysis

The Fayans energy density functional (EDF) has been very successful in describing global nuclear properties (binding energies, charge radii, and especially differences of radii) within nuclear density functional theory. In a recent study, supervised machine learning methods were used to calibrate the Fayans EDF. Building on this experience, in this work we explore the effect of adding isovector pairing terms, which are responsible for different proton and neutron pairing fields, by comparing a 13D model without the isovector pairing term against the extended 14D model. At the heart of the calibration is a carefully selected heterogeneous dataset of experimental observables representing ground-state properties of spherical even–even nuclei. To quantify the impact of the calibration dataset on model parameters and the importance of the new terms, we carry out advanced sensitivity and correlation analysis on both models. The extension to 14D improves the overall quality of the model by about 30%. The enhanced degrees of freedom of the 14D model reduce correlations between model parameters and enhance sensitivity.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Methodology for the systems engineering process. Volume 1: System functional activities

Systems engineering is examined in terms of functional activities that are performed in the conduct of a system definition/design, and system development is described in a parametric analysis that combines functions, performance, and design variables. Emphasis is placed on identification of activities performed by design organizations, design specialty groups, as well as a central systems engineering organizational element. Identification of specific roles and responsibilities for doing functions, and monitoring and controlling activities within the system development operation are also emphasized.

Nelson, J. H.↗

Preliminary design data package, appendices C1 and C2

The HYBRID2 program which computes the fuel and energy consumption of a hybrid vehicle with a bi-modal control strategy over specified component driving cycles is described. Fuel and energy consumption are computed separately for the two modes of operation. The program also computes yearly average fuel and energy consumption using a composite driving cycle which varies as a function of daily travel. The modelling techniques are described, and subroutines and their functions are given. The composition of modern automobiles is discussed along with the energy required to manufacture an American automobile. The energy required to scrap and recycle automobiles is also discussed.

Source record↗

Badhwar-O'Neill 2011 Galactic Cosmic Ray Model Update and Future Improvements

The Badhwar-O'Neill Galactic Cosmic Ray (GCR) Model based on actual GCR measurements is used by deep space mission planners for the certification of microelectronic systems and the analysis of radiation health risks to astronauts in space missions. The BO GCR Model provides GCR flux in deep space (outside the earth's magnetosphere) for any given time from 1645 to present. The energy spectrum from 50 MeV/n - 20 GeV/n is provided for ions from hydrogen to uranium. This work describes the most recent version of the BO GCR model (BO'11). BO'11 determined the GCR flux at a given time applying an emperical time delay function to past sunspot activity. We describe the GCR measurement data used in the BO'11 update - modern data from BESS, PAMELA, CAPRICE, and ACE emphasized more than the older balloon data used for the previous BO model (BO'10). We look at the GCR flux for the last 24 solar minima and show how much greater the flux was for the cycle 24 minimum in 2010. The BO'11 Model uses the traditional, steady-state Fokker-Planck differential equation to account for particle transport in the heliosphere due to diffusion, convection, and adiabatic deceleration. It assumes a radially symmetrical diffusion coefficient derived from magnetic disturbances caused by sunspots carried outward by a constant solar wind. A more complex differential equation is now being tested to account for particle transport in the heliosphere in the next generation BO model. This new model is time-dependent (no longer a steady state model). In the new model, the dynamics and anti-symmetrical features of the actual heliosphere are accounted for so emperical time delay functions will no longer be required. The new model will be capable of simulating the more subtle features of modulation - such as the Sun's polarity and modulation dependence on gradient and curvature drift. This improvement is expected to significantly improve the fidelity of the BO GCR model. Preliminary results of its performance will be presented.

O'Neill, Pat M.↗

Badhwar-O'Neill 2011 Galactic Cosmic Ray Model Update and Future Improvements

The Badhwar-O'Neill Galactic Cosmic Ray (GCR) Model based on actual GR measurements is used by deep space mission planners for the certification of micro-electronic systems and the analysis of radiation health risks to astronauts in space missions. The BO GCR Model provides GCR flux in deep space (outside the earth's magnetosphere) for any given time from 1645 to present. The energy spectrum from 50 MeV/n-20 GeV/n is provided for ions from hydrogen to uranium. This work describes the most recent version of the BO GCR model (BO'11). BO'11 determines the GCR flux at a given time applying an empirical time delay function to past sunspot activity. We describe the GCR measurement data used in the BO'11 update - modern data from BESS, PAMELA, CAPRICE, and ACE emphasized for than the older balloon data used for the previous BO model (BO'10). We look at the GCR flux for the last 24 solar minima and show how much greater the flux was for the cycle 24 minimum in 2010. The BO'11 Model uses the traditional, steady-state Fokker-Planck differential equation to account for particle transport in the heliosphere due to diffusion, convection, and adiabatic deceleration. It assumes a radially symmetrical diffusion coefficient derived from magnetic disturbances caused by sunspots carried onward by a constant solar wind. A more complex differential equation is now being tested to account for particle transport in the heliosphere in the next generation BO model. This new model is time-dependent (no longer a steady state model). In the new model, the dynamics and anti-symmetrical features of the actual heliosphere are accounted for so empirical time delay functions will no longer be required. The new model will be capable of simulating the more subtle features of modulation - such as the Sun's polarity and modulation dependence on the gradient and curvature drift. This improvement is expected to significantly improve the fidelity of the BO GCR model. Preliminary results of its performance will be presented.

O'Neill, Pat M.↗

Lévy-stable two-pion Bose-Einstein correlations in s NN = 200 GeV Au + Au collisions

Here, we present a detailed measurement of charged two-pion correlation functions in 0–30% centrality √ s NN = 200 GeV Au + Au collisions by the PHENIX experiment at the Relativistic Heavy Ion Collider. The data are well described by Bose-Einstein correlation functions stemming from Lévy-stable source distributions. Using a fine transverse momentum binning, we extract the correlation strength parameter λ, the Lévy index of stability α, and the Lévy length scale parameter R as a function of average transverse mass of the pair m T . We find that the positively and the negatively charged pion pairs yield consistent results, and their correlation functions are represented, within uncertainties, by the same Lévy-stable source functions. The λ(m T ) measurements indicate a decrease of the strength of the correlations at low m T . The Lévy length scale parameter R(m T ) decreases with increasing m T , following a hydrodynamically predicted type of scaling behavior. The values of the Lévy index of stability α are found to be significantly lower than the Gaussian case of α = 2, but also significantly larger than the conjectured value that may characterize the critical point of a second-order quark-hadron phase transition.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

A Complexity Agnostic Clustering Engine for Time Projection Chambers and its Implementation in FPGA

A clustering functional block implemented in field-programable-gate-array (FPGA) for time projection chambers (TPC) operating with predictable time regardless the complexity of the event is described in this paper. The clustering functional block reorganizes input data and the hits data belonging to the same clusters are output together for further process in the later stages. The clustering operation consists of two phases, data filling phase and data outputting phase, and the later uses the same number of clock cycles as the data filling phase. The clustering block can accommodate events with arbitrary number of clusters and number of hits per cluster as long as the total number of hits is within a predesigned limit. The operation time is exactly twice of the data filling time with no residual O(n2) term. The clustering block has been implemented with operating frequency of 200 MHz in a low-cost FPGA evaluation module and test results confirm the expected performance.

Wu, Jinyuan [Fermilab] (ORCID:0000000344329521)↗

Synthetic and Mechanistic Implications of Chlorine Photoelimination in Nickel/Photoredox C(sp 3 )–H Cross-Coupling

In recent years, the development of light-driven reactions has contributed numerous advances in synthetic organic chemistry. A particularly active research area combines photoredox catalysis with nickel catalysis to accomplish otherwise inaccessible cross-coupling reactions. In these reactions, the photoredox catalyst absorbs light to generate an electronically excited charge-transfer state that can engage in electron or energy transfer with a substrate and the nickel catalyst. Our group questioned whether photoinduced activation of the nickel catalyst itself could also contribute new approaches to cross-coupling. Over the past 5 years, we have sought to advance this hypothesis for the development of a suite of mild and site-selective C(sp 3 )–H cross-coupling reactions with chloride-containing coupling partners via photoelimination of a Ni–Cl bond. On the basis of a report from the Nocera laboratory, we reasoned that photolysis of a Ni(III) aryl chloride species, generated by single-electron oxidation of a typical Ni(II) intermediate in cross-coupling, might allow for the catalytic generation of chlorine atoms. Combining this with the ability of Ni(II) to accept alkyl radicals, we hypothesized that photocatalytically generated chlorine atoms could mediate hydrogen atom transfer (HAT) with C(sp 3 )–H bonds to generate a substrate-derived alkyl radical that is captured by the Ni center in cross-coupling. A photoredox catalyst was envisioned to promote the necessary single-electron oxidation and reduction of the Ni catalyst to facilitate an overall redox-neutral process. Overall, this strategy would offer a visible-light-driven mechanism for chlorine radical formation enabled by the sequential capture of two photons. As an initial demonstration, we developed a Ni/photoredox-catalyzed α-oxy C(sp 3 )–H arylation of cyclic and acyclic ethers. This method was extended to a mild formylation of abundant and complex aryl chlorides through selective 2-functionalization of 1,3-dioxolane. Seeking to develop a suite of reactions that introduce carbon at all different oxidation states, we explored C(sp 3 )–H cross-coupling with trimethyl orthoformate, a common laboratory solvent. We found that trimethyl orthoformate serves as a source of methyl radical for a methylation reaction via β-scission from a tertiary radical generated upon chlorine-mediated HAT. Since chlorine radical is capable of abstracting unactivated C(sp 3 )–H bonds, our efforts have also been directed at cross-coupling with a range of feedstock chemicals, such as alkanes and toluenes, along with late-stage intermediates, using chloroformates as coupling partners. Overall, this platform enables access to valuable synthetic transformations with (hetero)aryl chlorides, which despite being the most ubiquitous and inexpensive aryl halide coupling partners, are rarely reactive in Ni/photoredox catalysis. Little is known about the photophysics and photochemistry of organometallic Ni complexes relevant to cross-coupling. We have conducted mechanistic investigations, including computational, spectroscopic, emission quenching, and stoichiometric oxidation studies, of Ni(II) aryl halide complexes common to Ni/photoredox reactions. These studies indicate that chlorine radical generation from excited Ni(III) is operative in the described C(sp 3 )–H functionalization methods. More generally, the studies illustrate that the photochemistry of cross-coupling catalysts cannot be ignored in metallaphotoredox reactions. We anticipate that further mechanistic understanding should facilitate catalyst design and lead to the development of new synthetic methods.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

The Winds of B Supergiants

We present the most suitable data sets available in the International Ultraviolet Explorer (IUE) archive for the study of time-dependent stellar winds in early B supergiants. The UV line profile variability in 11 B0 to B3 stars is analyzed, compared and discussed, based on 16 separate data sets comprising over 600 homogeneously reduced high-resolution spectrograms. The targets include 'normal' stars with moderate rotation rates and examples of rapid rotators. A gallery of grey-scale images (dynamic spectra) is presented, which demonstrates the richness and range of wind variability and highlights different structures in the winds of these stars. This work emphasizes the suitability of B supergiants for wind studies, under-pinned by the fact that they exhibit unsaturated wind lines for a wide range of ionization. The wind activity of B supergiants is substantial and has highly varied characteristics. The variability evident in individual stars is classified and described in terms of discrete absorption components, spontaneous absorption, bowed structures, recurrence, and ionization variability and stratification. Similar structures can occur in stars of different fundamental parameters but also different structures may occur in the same star at a given epoch. We discuss the physical phenomena that may be associated with the spectral signatures, and highlight the challenges that these phenomena present to theoretical studies of time-dependent outflows in massive stars. In addition, SEI line-synthesis modelling of the UV wind lines is used to provide further information about the state of the winds in our program stars. Typically the range, implied by the line profile variability, in the product of mass-loss rate and ion fraction (M qi) is a factor of approximately 1.5, when integrated between 0.2 and 0.9 v infinity; it it can however be several times larger over localized velocity regions. At a given effective temperature the mean relative ion ratios can differ by a factor of 5. The general excess in predicted (forward-scattered) emission in the low velocity regime is discussed in turns of structured outflows. Mean ion fractions are estimated over the B0 to B1 spectral classes, and trends in the ionic ratios as a function of wind velocity are described. The low values obtained for the ion fractions of UV resonance lines may reflect the role of clumping in the wind.

Massa, Derck↗

The Winds of B Supergiants

We present the most suitable data sets available in the International Ultraviolet Explorer (IUE) archive for the study of time-dependent stellar winds in early B supergiants. The UV line profile variability in 11 B0 to B3 stars is analyzed, compared and discussed, based on 16 separate data sets comprising over 600 homogeneously reduced high-resolution spectrograms. The targets include 'normal' stars with moderate rotation rates and examples of rapid rotators. A gallery of grey-scale images (dynamic spectra) is presented, which demonstrates the richness and range of wind variability and highlights different structures in the winds of these stars. This work emphasises the suitability of B supergiants for wind studies, under-pinned by the fact that they exhibit unsaturated wind lines for a wide range of ionization. The wind activity of B supergiants is substantial and has highly varied characteristics. The variability evident in individual stars is classified and described in terms of discrete absorption components, spontaneous absorption, bowed structures, recurrence, and ionization variability and stratification. Similar structures can occur in stars of different fundamental parameters, but also different structures may occur in the same star at a given epoch. We discuss the physical phenomena that may be associated with the spectral signatures, and highlight the challenges that these phenomena present to theoretical studies of time-dependent outflows in massive stars. In addition, SEI line-synthesis modelling of the UV wind lines is used to provide further information about the state of the winds in our program stars. Typically the range, implied by the line profile variability, in the product of mass-loss rate and ion fraction (M (dot) q(sub i)) is a factor of approximately 1.5, when integrated between 0.2 and 0.9 v infinity; it can however be several times larger over localized velocity regions. At a given effective temperature the mean relative ion ratios can differ by a factor of 5. The general excess in predicted (forward-scattered) emission in the low velocity regime is discussed in terms of structured outflows. Mean ion fractions are estimated over the B0 to B1 spectral classes, and trends in the ionic ratios as a function of wind velocity are described. The low values obtained for the ion fractions of UV resonance lines may reflect the role of clumping in the wind.

Massa, D.↗

Multidimensional quantitative phenotypic and molecular analysis reveals neomorphic behaviors of p53 missense mutants

Abstract Mutations in the TP53 tumor suppressor gene occur in >80% of the triple-negative or basal-like breast cancer. To test whether neomorphic functions of specific TP53 missense mutations contribute to phenotypic heterogeneity, we characterized phenotypes of non-transformed MCF10A-derived cell lines expressing the ten most common missense mutant p53 proteins and observed a wide spectrum of phenotypic changes in cell survival, resistance to apoptosis and anoikis, cell migration, invasion and 3D mammosphere architecture. The p53 mutants R248W, R273C, R248Q, and Y220C are the most aggressive while G245S and Y234C are the least, which correlates with survival rates of basal-like breast cancer patients. Interestingly, a crucial amino acid difference at one position—R273C vs. R273H—has drastic changes on cellular phenotype. RNA-Seq and ChIP-Seq analyses show distinct DNA binding properties of different p53 mutants, yielding heterogeneous transcriptomics profiles, and MD simulation provided structural basis of differential DNA binding of different p53 mutants. Integrative statistical and machine-learning-based pathway analysis on gene expression profiles with phenotype vectors across the mutant cell lines identifies quantitative association of multiple pathways including the Hippo/YAP/TAZ pathway with phenotypic aggressiveness. Further, comparative analyses of large transcriptomics datasets on breast cancer cell lines and tumors suggest that dysregulation of the Hippo/YAP/TAZ pathway plays a key role in driving the cellular phenotypes towards basal-like in the presence of more aggressive p53 mutants. Overall, our study describes distinct gain-of-function impacts on protein functions, transcriptional profiles, and cellular behaviors of different p53 missense mutants, which contribute to clinical phenotypic heterogeneity of triple-negative breast tumors.

60 APPLIED LIFE SCIENCES↗

A cloud platform for atomic pair distribution function analysis: PDFitc

A cloud web platform for analysis and interpretation of atomic pair distribution function (PDF) data ( PDFitc ) is described. The platform is able to host applications for PDF analysis to help researchers study the local and nanoscale structure of nanostructured materials. The applications are designed to be powerful and easy to use and can, and will, be extended over time through community adoption and development. The currently available PDF analysis applications, structureMining, spacegroupMining and similarityMapping , are described. In the first and second the user uploads a single PDF and the application returns a list of best-fit candidate structures, and the most likely space group of the underlying structure, respectively. In the third, the user can upload a set of measured or calculated PDFs and the application returns a matrix of Pearson correlations, allowing assessment of the similarity between different data sets. structureMining is presented here as an example to show the easy-to-use workflow on PDFitc . In the future, as well as using the PDFitc applications for data analysis, it is hoped that the community will contribute their own codes and software to the platform.

97 MATHEMATICS AND COMPUTING↗

Evolution of interstellar pickup ions in the solar wind

A model is constructed for the evolution of an interstellar pickup ion distribution in the solar wind. The model assumes that the ions are immediately isotropized at ionization and follows the subsequent development of the distribution function as the particles are convected with the solar wind. The effects of energy diffusion in an ambient wave field with a power law spectrum, adiabatic deceleration in the expanding solar wind, and continual addition of newly ionized particles are all included in the model. An analytical expression describing the evolution of the distribution function in phase space velocity and heliocentric radius is obtained. The distribution quickly approaches an asymptotic shape in phase space which depends on the relative efficiency of the energy diffusion process compared to that of adiabatic deceleration. At large distances from the sun the density of pickup ions falls as 1/r in this model. An expression for the distribution function at large distances and for large particle speed is presented. The asymptotic shape should describe the distribution of pickup ions in the outer heliosphere and could be used as an input distribution for a model of the anomalous component of heliosphere and could be used as an input distribution for a model of the anomalous component of cosmic rays. Comparison of this work with the recent observation of He(+) at 1 AU implies that the energy diffusion process is very weak inside 1 AU.

Isenberg, Philip A.↗

Leading and Next-to-Leading Logarithmic Approximations in Quantum Electrodynamics

Abstrac t —Methods: for determination of QED radiative corrections in the leading and next-to- leading logarithmic approximations are described. Analytical solutions to the QED evolution equations for electron structure functions are presented. Some examples of applying the methods described to construction of the high-precision description of processes in high-energy accelerators are considered. A case of the calculation of higher-order corrections to the muon decay spectrum is considered in detail. Use of the approaches developed to justify methods of radiation return and direct measurement of the QED running constant is discussed.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Hardware Demonstration: Radiated Emissions as a Function of Common Mode Current

This presentation describes the electromagnetic compatibility (EMC) tests performed on the Integrated Science Instrument Module (ISIM), the science payload of the James Webb Space Telescope (JWST), at NASAs Goddard Space Flight Center (GSFC) in August 2015. By its very nature of being an integrated payload, it could be treated as neither a unit level test nor an integrated spacecraft observatory test. Non-standard test criteria are described along with non-standard test methods that had to be developed in order to evaluate them. Results are presented to demonstrate that all test criteria were met in less than the time allocated.

Hardware Demonstration↗

Residential Multi-Function Gas Heat Pump

This fact sheet describes a project by Southwest Gas Corporation, in collaboration with IntelliChoice Energy and Oak Ridge National Laboratory, to develop hardware and software for engine and system controls for a residential gas heat pump system that provides space cooling, heating, and hot water.

Combined Heat and Power↗