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At least 1,279 records · Page 71

Short communication: Estimation of yield stress/viscosity of molten octol

Explosive HMX particles are similar in morphology and chemistry to RDX particles, the main constituent of Composition B-3 (Comp B-3). This suggests molten HMX-TNT formulations may show Bingham plasticity, much like recent studies have shown for Comp B-3. Here a Bingham plastic viscosity model, including yield stress and shear thinning, is presented for octol (70/30wt% HMX/TNT) as a function of HMX particle volume fraction. The effect of HMX dissolution into molten TNT is included in this analysis.

36 MATERIALS SCIENCE↗

Microstructural changes of proton irradiated Hastelloy-N and in situ micropillar compression testing of one single grain at different local damage levels

Here, in situ micropillar compression was used to study the deformation of proton-irradiated Hastelloy-N at different damage levels. Multiple pillars were prepared from a single domain along the cross-section of 2.5 MeV proton-irradiated Hastelloy-N. Depending on the location of micropillars, the critical resolved shear stress was obtained as a function of local damage levels. Such an approach eliminates the variation of yield stress due to the difference in the Schmid factor. Microstructural characterization showed that irradiation hardening is contributed by complicated defect structures, including (a) dislocation loops with many in corduroy-like alignments, (2) dislocations pile up, and (3) Cottrell atmosphere. Silicon atoms are found to segregate at dislocation lines and loops and form complicated Cottrell cloud patterns. The critical resolved shear stress, $t_{crss}$, and hardening exponents were both extracted as a function of displacements per atom values up to 2.3. There was a 60% increase in $t_{crss}$ at the highest damage level.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Jet modification via 𝜋 0 -hadron correlations in Au + Au collisions at $\sqrt{s_{NN}}$ = 200 GeV

High-momentum two-particle correlations are a useful tool for studying jet-quenching effects in the quark-gluon plasma. Angular correlations between neutral-pion triggers and charged hadrons with transverse momenta in the range 4–12 GeV/𝑐 and 0.5–7 GeV/𝑐, respectively, have been measured by the PHENIX experiment in 2014 for Au + Au collisions at $\sqrt{s_{NN}}$ = 200 GeV. Suppression is observed in the yield of high-momentum jet fragments opposite the trigger particle, which indicates jet suppression stemming from in-medium partonic energy loss, while enhancement is observed for low-momentum particles. The ratio and differences between the yield in Au + Au collisions and 𝑝 + 𝑝 collisions, 𝐼 𝐴⁢𝐴 and Δ 𝐴⁢𝐴 , as a function of the trigger-hadron azimuthal separation, Δ⁢𝜙, are measured for the first time at the BNL Relativistic Heavy Ion Collider. Finally, these results better quantify how the yield of low-𝑝 𝑇 associated hadrons is enhanced at wide angle, which is crucial for studying energy loss as well as medium-response effects.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

A real time spectrum to dose conversion system

A system has been developed which permits the determination of dose in real time or near real time directly from the pulse-height output of a radiation spectrometer. The technique involves the use of the resolution matrix of a spectrometer, the radiation energy-to-dose conversion function, and the geometrical factors, although the order of matrix operations is reversed. The new technique yields a result which is mathematically identical to the standard method while requiring no matrix manipulations or resolution matrix storage in the remote computer. It utilizes only a single function for each type dose required and each geometric factor involved.

Farmer, B. J.↗

Production of Th 229 for medical applications: Excitation functions of low-energy protons on Th 232 targets

As a part of a general program to evaluate production routes for 229 Th, we studied production of 229 Th via proton-induced reactions on 232 Th targets bombarded with low-energy protons, E p ≤ 40MeV. The reported excitation functions include those for proton-induced reactions on natural thorium yielding to 228,229,230&232 Pa isotopes; 232 Th( p,xn ) reactions, where x=1, 3, 4, and 5, at proton energy ranges of 12–40 MeV. Although the data for 232 Th(p,n) 228 Pa, 232 Th(p,3n) 230 Pa, and 232 Th(p,5n) 232 Pa reactions were deduced by direct analysis of the thorium foils after irradiation, the data for 232 Th(p,4n) 229 Pa were obtained by radiochemical techniques. The half-life of 229 Pa was evaluated and determined to be 1.55 ± 0.01 d. Further, the α-branching ratio, α/(α + EC) of 229 Pa was evaluated to be 0.53 ± 0.10% by allowing 229 Pa to decay for ~7d, then chemically extracting and quantifying the 225 Ac (t 1/2 = 10.0±0.1d) from 229 Pa samples. In addition, we report the effective production cross section of 229 Th in a thick 232 Th target in the proton energy range of 23–33 MeV. The peak of the excitation function for the 232 Th(p,4n) 229 Pa reaction occurs at 162 ± 14 mb and E p =29.7±0.5MeV. This is only slightly larger than the effective cross section for the 232 Th(p,x) 229 Th reaction (obtained from a thick target experiment). This data indicates that the 232 Th(p,4n) 229 Pa reaction is the major reaction pathway for the cumulative 232 Th(p,x) 229 Th reaction cross section in this energy range. The measured cross sections were compared with theoretical cross sections using the simulation codes Particle and Heavy Ion Transport code System (PHITS) and Monte Carlo Neutral Particle 6 (MCNP6). Furthermore, at proton energy ranges of 12–33 MeV, the cumulative excitation function predicted by PHITS for the reactions leading to 229 Th was in close agreement with the experimental function, whereas the function predicted by MCNP6 was a factor of two higher at the peak of the excitation function.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Laboratory Studies in UV and EUV Solar Physics

The Ion Beam Experiment at the Center for Astrophysics is dedicated to the study of ion-electron collision processes of importance in solar physics. A paper describing our most recent measurement 'Absolute cross section for Si(2+)(3s3p(sup 3)Rho (sup 0) yields 3s3p(sup 1)Rho(sup 0)) electron-impact excitation' was published during the past year. Dr. Paul Janzen received his PhD. from the Harvard Physics Department on the basis of this and other work, such as the new electron cyclotron resonance (ECR) ion source. The ion source is producing stable beams with large currents for our present work on C(2+), and it also produces stable beams with large currents of more highly charged systems, for future work on systems such as O(4+). The past year has been focussed on our current program to measure absolute cross sections for Electron Impact Excitation (EIE) in C(2+), one of the primary ions used for probing the solar transition region. C(2+) beams produced by the ion source have been transported to the interaction region of the experiment, where the collisions are studied, and Visiting Scientist Dr. Adrian Daw is currently collecting data to measure the C(2+)(2s2p(sup 3)Rho(sup 0) yields 2p(sup 2)(sup 3)Rho) EIE cross section as a function of collision energy, under the guidance of Drs. John Kohl, Larry Gardner and Bill Parkinson. Also this year, modifications were made to the ECR ion source in order to produce greater currents of highly charged ions. Testing of the ion source was completed. Modifications were designed to extend the photon detection capabilities of the apparatus to shorter UV wavelengths, or EUV. Following the work on C(2+)(2s2p(sup 3)Pho(sup 0) yields 2p(sup 2)(sup 3)Rho), the extended UV detection capabilities will be used to measure the C(2+)(2s(sup 2)(sup 1)S yields 2s2p(sup 1)Rho(sup 0)) EIE cross section. The EUV modifications complement those of the new ion source, by enabling detection of EUV light generated by high charge state ions and putting us in a position to measure the excitation cross sections for more highly charged ions as well.

Parkinson, William↗

Accurate determination of production data of the non-standard positron emitter 86 Y via the 86 Sr(p,n)-reaction

In view of several significant discrepancies in the excitation function of the 86 Sr(p,n) 86g+xm Y reaction which is the method of choice for the production of the non-standard positron emitter 86 Y for theranostic application, we carried out a careful measurement of the cross sections of this reaction from its threshold up to 16.2 MeV at Forschungszentrum Jülich (FZJ) and from 14.3 to 24.5 MeV at LBNL. Thin samples of 96.4% enriched 86 SrCO 3 were prepared by sedimentation and, after irradiation with protons in a stacked-form, the induced radioactivity was measured by high-resolution γ -ray spectrometry. The projectile flux was determined by using the monitor reactions nat Cu(p,xn) 62,63,65 Zn and nat Ti(p,x) 48 V, and the calculated proton energy for each sample was verified by considering the ratios of two reaction products of different thresholds. Additionally, the experimental cross section data obtained agreed well with the results of a nuclear model calculation based on the code TALYS. From the cross section data, the integral yield of 86 Y was calculated. Over the optimum production energy range E p = 14 → 7 MeV the yield of 86 Y amounts to 291 MBq/μA for 1 h irradiation time. This value is appreciably lower than the previous literature values calculated from measured and evaluated excitation functions. It is, however, more compatible with the experimental yields of 86 Y obtained in clinical scale production runs. The levels of the isotopic impurities 87m Y, 87g Y, and 88 Y were also estimated and found to be <2% in sum.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗

Quantitative Evaluation of Optical Free Carrier Generation in Semiconducting Single-Walled Carbon Nanotubes

Gauging free carrier generation (FCG) in optically excited, charge-neutral single-walled carbon nanotubes (SWNTs) has important implications for SWNT-based optoelectronics that rely upon conversion of photons to electrical current. Earlier investigations have largely provided only qualitative insights into optically triggered SWNT FCG, due to the heterogeneous nature of commonly interrogated SWNT samples and the lack of direct, unambiguous spectroscopic signatures that could be used to quantify charges. Here, employing ultrafast pump–probe spectroscopy in conjunction with chirality-enriched, length-sorted, ionic-polymer-wrapped SWNTs, we develop a straightforward approach for quantitatively evaluating the extent of optically driven FCG in SWNTs. Owing to the previously identified trion transient absorptive hallmark (Tr + 11 → Tr + nm ) and the rapid nature of trion formation dynamics (<1 ps) relative to established free-carrier decay time scales (>ns), we correlate FCG with trion formation dynamics. Experimental determination of the trion absorptive cross section further enables evaluation of the quantum yields for optically driven FCG [Φ(E nn → h + + e – )] as a function of optical excitation energy and medium dielectric strength. We show that (i) E 33 excitons give rise to dramatically enhanced Φ(E nn → h + + e – ) relative to those derived from E 22 and E 11 excitons and (ii) Φ(E 33 → h + + e – ) monotonically increases from ~5% to 18% as the solvent dielectric constant increases from ~32 to 80. Furthermore, this work highlights the extent to which the nature of the medium and excitation conditions control FCG quantum yields in SWNTs: such studies have the potential to provide new design insights for SWNT-based compositions for optoelectronic applications that include photodetectors and photovoltaics.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Correlating Local Compositions and Structures with the Macroscopic Optical Properties of Ce 3+ -Doped CaSc 2 O 4 , an Efficient Green-Emitting Phosphor

Calcium scandate (CaSc 2 O 4 ) substituted with small amounts (<1%) of Ce 3+ is a recently discovered bright-green-emitting phosphor with favorable light absorption and emission properties and robust temperature stability that make it well-suited for solid-state white-lighting applications. Combined analyses of scattering, solid-state nuclear magnetic resonance (NMR), electron paramagnetic resonance (EPR), and photoluminescence measurements establish the compositional and structural origins of the macroscopic optical properties of this phosphor material. Simultaneous refinements of synchrotron X-ray and neutron diffraction data of Ce 3+ -doped CaSc 2 O 4 enable the average crystal structure to be determined, which is shown to correspond to an exceedingly rigid host structure, as corroborated by density functional theory (DFT) calculations. Such structural rigidity leads to high quantum efficiency, which is optimized by the substitution of as little as 0.5 mol % of Ce 3+ for Ca 2+ ions, with higher extents of Ce 3+ substitution leading to decreased photoluminescent quantum yields. Solid-state 43 Ca and 45 Sc magic-angle spinning (MAS) NMR spectra are sensitive to the effects of the paramagnetic Ce 3+ dopant ions on nearby atoms in the host structure and yield evidence for local structural distortions. EPR measurements provide direct insights on structures of the Ce 3+ ions, as a function of Ce 3+ substitution. The combined scattering and spectroscopic analyses yield detailed new understanding of the local and long-range structures of Ce 3+ -doped CaSc 2 O 4 , which account for the sensitive composition-dependent optical properties of this important phosphor material.

36 MATERIALS SCIENCE↗

Analytical optimal pulse shapes obtained with the aid of genetic algorithms

We propose a methodology to design optimal pulses for achieving quantum optimal control on molecular systems. Our approach constrains pulse shapes to linear combinations of a fixed number of experimentally relevant pulse functions. Quantum optimal control is obtained by maximizing a multi-target fitness function using genetic algorithms. As a first application of the methodology, we generated an optimal pulse that successfully maximized the yield on a selected dissociation channel of a diatomic molecule. Our pulse is obtained as a linear combination of linearly chirped pulse functions. Data recorded along the evolution of the genetic algorithm contained important information regarding the interplay between radiative and diabatic processes. We performed a principal component analysis on these data to retrieve the most relevant processes along the optimal path. Our proposed methodology could be useful for performing quantum optimal control on more complex systems by employing a wider variety of pulse shape functions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Switchgrass ( Panicum virgatum L.) cultivars have similar impacts on soil carbon and nitrogen stocks and microbial function

Abstract Switchgrass ( Panicum virgatum L.) production for biofuel has the potential to produce reasonable yields on lands not suited for conventional agriculture. We assessed nine switchgrass cultivars representing lowland and upland ecotypes grown for 11 years at a site in the upper Midwest USA for belowground differences in soil carbon and nitrogen stocks, soil organic matter fractions, and standing root biomass to 1 m depth. We also compared potential nitrogen mineralization and carbon substrate use through community‐level physiological profiling in surface soils (0–10 cm depth). Average yields and standing root biomass differed among cultivars and between ecotypes, but we found no significant cultivar‐related impacts on soil carbon and nitrogen stocks, on the distribution of particulate and mineral‐associated soil organic matter fractions, nor on potential nitrogen mineralization or microbial community‐level physiological profiles. That these traits did not differ among cultivars suggests that soil carbon and nitrogen gains under switchgrass are likely to be robust with respect to cultivar differences, and to this point not much affected by breeding efforts.

Agriculture↗

Maximum a posteriori classification of multifrequency, multilook, synthetic aperture radar intensity data

We present a maximum a posteriori (MAP) classifier for classifying multifrequency, multilook, single polarization SAR intensity data into regions or ensembles of pixels of homogeneous and similar radar backscatter characteristics. A model for the prior joint distribution of the multifrequency SAR intensity data is combined with a Markov random field for representing the interactions between region labels to obtain an expression for the posterior distribution of the region labels given the multifrequency SAR observations. The maximization of the posterior distribution yields Bayes's optimum region labeling or classification of the SAR data or its MAP estimate. The performance of the MAP classifier is evaluated by using computer-simulated multilook SAR intensity data as a function of the parameters in the classification process. Multilook SAR intensity data are shown to yield higher classification accuracies than one-look SAR complex amplitude data. The MAP classifier is extended to the case in which the radar backscatter from the remotely sensed surface varies within the SAR image because of incidence angle effects. The results obtained illustrate the practicality of the method for combining SAR intensity observations acquired at two different frequencies and for improving classification accuracy of SAR data.

Rignot, E.↗

Morphology, near-infrared luminosity, and mass of the Galactic bulge from COBE DIRBE observations

Near-infrared images of the Galactic bulge at 1.25, 2.2, 3.5, and 4.9 microns obtained by the Diffuse Infrared Background Experiment (DIRBE) onboard the Cosmic Background Explorer (COBE) satellite are used to characterize its morphology and to determine its infrared luminosity and mass. Earlier analysis of the DIRBE observations (Weiland et al. 1994) provided supporting evidence for the claim made by Blitz & Spergel (1991) that the bulge is bar-shaped with its near end in the first Galactic quadrant. Adopting various triaxial analytical functions to represent the volume emissivity of the source, we confirm the barlike nature of the bulge and show that triaxial Gaussian-type functions provide a better fit to the data than other classes of functions, including an axisymmetric spheroid. The introduction of a `boxy' geometry, such as the one used by Kent, Dame, & Fazio (1991) improves the fit to the data. Our results show that the bar is rotated in the plane with its near side in the first Galactic quadrant creating an angle of 20 deg +/- 10 deg between its major axis and the line of sight to the Galactic center. Typical axis ratios of the bar are (1:0.33 +/- 0.11:0.23 +/- 0.08), resembling the geometry of prolate spheroids. There is no statistically significant evidence for an out-of-plane tilt of the bar at 2.2 microns, and marginal evidence for a tilt of approximately equal 2 deg at 4.9 microns. The introduction of a roll around the intrinsic major axis of the bulge improves the `boxy' appearance of some functions. A simple integration of the observed projected intensity of the bulge gives a bulge luminosity of 1.2 x 10(exp 9), 4.1 x 10(exp 8), 2.3 x 10(exp 8), and 4.3 x 10(exp 7) solar luminosity, respectively, at 1.25, 2.2, 3.5, and 4.9 microns wavelength for a Galactocentric distance of 8.5 kpc. The 2.2 microns luminosity function of the bulge population in the direction of Baade's window yields a bolometric luminosity of L(sub bol) = 5.3 x 10(exp 9) solar luminosity. Stellar evolutionary models relate this luminosity to the number of main-sequence progenitor stars that currently populate the red giant branch. Combined with the recent determination of the main-sequence turnoff mass for the bulge by the Hubble Space Telescope (Holtzman et al. 1993) we derive a photometrically determined bulge mass of approximately equal to 1.3 x 10(exp 10) solar mass for a Salpeter initial mass function extended down to 0.1 solar mass.

Dwek, E.↗

Fission Product Yield Data Adjustment in a Prototype Version of TSURFER

The TSURFER (Tool for Sensitivity/Uncertainty analysis of Response Functionals using Experimental Results) module of Oak Ridge National Laboratory’s (ORNL’s) SCALE code system has been updated to perform nuclear data adjustments for fixed-source irradiation/depletion problems. TSURFER uses a generalized linear least squares (GLLS) approach to consolidate a prior set of measured responses and corresponding calculated values to create the most self-consistent set of nuclear data. Traditionally, TSURFER adjustments have been performed for multigroup nuclear data such as reaction cross sections. In this work, TSURFER is expanded to perform adjustments to independent fission product yields and branching ratios that need equality constraints. To preserve equality constraints after the data adjustment procedure, an updated GLLS formulation includes a new Lagrange multiplier that forces data adjustment to sum to 0 for a given fission yield/branching ratio parent. A test problem illustrates that the newly updated TSURFER module satisfies the required constraint that adjustments for fission yield data sum to 0.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

A low-cost approach to electronic excitation energies based on the driven similarity renormalization group

Here, we propose an economical state-specific approach to evaluate electronic excitation energies based on the driven similarity renormalization group truncated to second order (DSRG-PT2). Starting from a closed-shell Hartree–Fock wave function, a model space is constructed that includes all single or single and double excitations within a given set of active orbitals. The resulting VCIS-DSRG-PT2 and VCISD-DSRG-PT2 methods are introduced and benchmarked on a set of 28 organic molecules [M. Schreiber et al. , J. Chem. Phys. 128, 134110 (2008)]. Taking CC3 results as reference values, mean absolute deviations of 0.32 and 0.22 eV are observed for VCIS-DSRG-PT2 and VCISD-DSRG-PT2 excitation energies, respectively. Overall, VCIS-DSRG-PT2 yields results with accuracy comparable to those from time-dependent density functional theory using the B3LYP functional, while VCISD-DSRG-PT2 gives excitation energies comparable to those from equation-of-motion coupled cluster with singles and doubles.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Ammonia on the prebiotic Earth: Iron(II) reduction of nitrite

Theories for the origin of life require the availability of reduced nitrogen. In the non-reducing atmosphere suggested by geochemical evidence, production in the atmosphere and survival of NH3 against photochemical destruction are problematic. Electric discharges and impact shocks would produce NO rather than HCN or NH3. Conversion of NO to nitrous and nitric acid (by way of HNO) and precipitation in acid rain would provide a source of fixed nitrogen to the early ocean. One solution to the NH3 problem may have been the reduction of nitrite/nitrate in the ocean with aqueous ferrous iron, Fe(2+): 6Fe(+2) + 7 H2O + NO2(-) yields 3Fe2O3 + 11 H(+) + NH3. We have measured the kinetics of this reaction as a function of temperature, pH, and concentrations of salts, Fe(+2), and NO2(-). Cations (Na(+), Mg(2+), K(+)) and anions (Cl(-), Br(-), SO4(2-)) increase the rate by factors of 4 to 8. Although a competing pathway yields N2, the efficiency of the conversion of nitrite to ammonia ranges from 25% to 85%. Nitrate reduction was not consistently reproducible; however, when it was observed, its rate was slower by at least 8X than that of nitrite reduction. If the prebiotic atmosphere contained 0.2 to 10 atmospheres CO2 as suggested by Walker (1985), the Fe(+2) concentration and the rate would have been limited by siderite (FeCO3) solubility.

Summers, David P.↗

Approximate Analysis of Semiconductor Laser Arrays

Simplified equation yields useful information on gains and output patterns. Theoretical method based on approximate waveguide equation enables prediction of lateral modes of gain-guided planar array of parallel semiconductor lasers. Equation for entire array solved directly using piecewise approximation of index of refraction by simple functions without customary approximation based on coupled waveguid modes of individual lasers. Improved results yield better understanding of laser-array modes and help in development of well-behaved high-power semiconductor laser arrays.

Marshall, William K.↗

In Situ TEM Microcompression Pillar Size Effects in Fe-9Cr ODS

The objective of this paper is to ascertain the existence of a specimen size threshold, below which the material no longer exhibits bulk mechanical behavior when tested using in situ transmission electron microscopic (TEM) micro-compression pillars. In this work, sub-micron sized pillars of a model Fe-9Cr oxide dispersion strengthened (ODS) alloy were compressed in TEM in situ at room temperature, and attempts have been made to quantify the resulting data. Results are compared to mechanical property values in the archival literature, and a discussion on the validity of quantitative in situ TEM micro-compression data for ODS steel is included. In situ TEM mechanical testing is a relatively new technique enabling concurrent TEM imaging and mechanical testing of sub-micron-sized electron-transparent specimens. Due to limited sample volume of many nuclear materials, in situ TEM mechanical testing holds great promise for advancing our understanding of deformation phenomena. But it is well known that the dramatically reduced specimen size required for in situ testing can affect quantitative and qualitative deformation behaviors. However, Kiener, et al. used in situ TEM micro-compression pillars on irradiated and unirradiated single-crystal copper. They observed size independence in the irradiated material, while the unnirradiated material displayed a size threshold below which the mechanical properties deviated from those of bulk Cu. They assert that the more densely-spaced obstacles in irradiated Cu allow it to display bulk properties even in specimens having ∼ 100 nm dimensions. Similar to Kiener's findings, we hypothesize that unirradiated ODS will demonstrate a size threshold, but the in situ TEM micro-compression technique can be extended from single crystal materials to engineering alloys. An Fe-9Cr model ODS alloy was chosen for this study because of the broad interest in ODS for advanced nuclear reactors. ODS alloys exhibit high irradiation tolerance and high temperature creep resistance. New insight into deformation processes gained through in situ TEM mechanical testing could be valuable for the validation of ODS alloys for next generation nuclear reactors. The fact that the compressive yield stress and elastic modulus do not follow distinct trends as a function of specimen size is likely due to the high density of obstacles to dislocation motion. The ODS microstructure contains such obstacles as oxide nanoparticles, a fine grain structure, a high density of dislocation lines, and carbide precipitates. Since the deformation behavior is governed by the minimum separation distance between obstacles [1], it is plausible that the high obstacle density enables ODS alloy micropillars to exhibit bulk-like mechanical properties even prior to irradiation. Future work will focus on: (1) developing finite element models to help explain the difference in elastic moduli between bulk and micropillar tests, (2) understanding the spread in yield stress measurements at fixed micropillar volumes, and (3) extending this study to irradiated ODS. (authors)

36 MATERIALS SCIENCE↗