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At least 793 records · Page 44

High-power laser interaction with low-density C–Cu foams

Here, we study the propagation of high-power laser beams in micro-structured carbon foams by monitoring the x-ray output from deliberately introduced Cu content. In particular, we characterize this phenomenon measuring absolute time-resolved x-ray yields, time-resolved x-ray imaging, and x-ray spectroscopy. New experimental results for C–Cu foams show a faster heat front velocity than simulation that assumed homogeneous plasma. We suggest the foam micro-structure may explain this trend.

42 ENGINEERING↗

High-performance finite-difference time-domain simulations of C-Mod and ITER RF antennas

Finite-difference time-domain methods have, in recent years, developed powerful capabilities for modeling realistic ICRF behavior in fusion plasmas [1, 2, 3, 4]. When coupled with the power of modern high-performance computing platforms, such techniques allow the behavior of antenna near and far fields, and the flow of RF power, to be studied in realistic experimental scenarios at previously inaccessible levels of resolution. In this talk, we present results and 3D animations from high-performance FDTD simulations on the Titan Cray XK7 supercomputer, modeling both Alcator C-Mod’s field-aligned ICRF antenna and the ITER antenna module. Much of this work focuses on scans over edge density, and tailored edge density profiles, to study dispersion and the physics of slow wave excitation in the immediate vicinity of the antenna hardware and SOL. An understanding of the role of the lower-hybrid resonance in low-density scenarios is emerging, and possible implications of this for the NSTX launcher and power balance are also discussed. In addition, we discuss ongoing work centered on using these simulations to estimate sputtering and impurity production, as driven by the self-consistent sheath potentials at antenna surfaces.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Structure, ferroelectric ordering, and semiempirical quantum calculations of lanthanide based metal-organic framework: [Nd(C{sub 4}H{sub 5}O{sub 6})(C{sub 4}H{sub 4}O{sub 6})][3H{sub 2}O]

We investigate the structure and ferroelectric behavior of a lanthanide based metal-organic framework (MOF), [Nd(C{sub 4}H{sub 5}O{sub 6})(C{sub 4}H{sub 4}O{sub 6})][3H{sub 2}O]. X-ray crystal structure analyses reveal that it crystallizes in the P4{sub 1}2{sub 1}2 space group with Nd centres, coordinated by nine oxygen atoms, forming a distorted capped square antiprismatic geometry. The molecules, bridged by tartrate ligands, form a 2D chiral structure. The 2D sheets are further linked into a 3D porous framework via strong hydrogen-bonding scheme (O-H…O ≈ 2.113 Å). Dielectric studies reveal two anomalies at 295 K and 185 K. The former is a paraelectric-ferroelectric transition, and the later is attributed to the freezing down of the motion of the hydroxyl groups. The phase transition is of second order, and the spontaneous polarization in low temperature phase is attributed to the ordering of protons of hydroxyl groups. The dielectric nonlinearity parameters have been calculated using Landau– Devonshire phenomenological theory. In addition, the most recent semiempirical models, Sparkle/PM7, Sparkle/RM1, and Sparkle/AM1, are tested on the present system to assay the accuracy of semiempirical quantum approaches to predict the geometries of solid MOFs. Our results show that Sparkle/PM7 model is the most accurate to predict the unit cell structure and coordination polyhedron geometry. The semiempirical methods are also used to calculate different ground state molecular properties.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Electronic transitions of C{sub 5}H{sup +} and C{sub 5}H: neon matrix and CASPT2 studies

Two electronic transitions at 512.3 and 250 nm of linear-C{sub 5}H{sup +} are detected following mass-selective deposition of m/z = 61 cations into a 6 K neon matrix and assigned to the 1 {sup 1}Π←X {sup 1}Σ{sup +} and 1 {sup 1}Σ{sup +}←X {sup 1}Σ{sup +} systems. Five absorption systems of l-C{sub 5}H with origin bands at 528,7, 482.6, 429.0, 368.5, and 326.8 nm are observed after neutralization of the cations in the matrix and identified as transitions from the X {sup 2}Π to 1 {sup 2}Δ, 1 {sup 2}Σ {sup −}, 1 {sup 2}Σ{sup +}, 2 {sup 2}Π, and 3 {sup 2}Π electronic states. The assignment to specific structures is based on calculated excitation energies, vibrational frequencies in the electronic states, along with simulated Franck–Condon profiles.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

The multi-spectral line-polarization MSE system on Alcator C-Mod

A multi-spectral line-polarization motional Stark effect (MSE-MSLP) diagnostic has been developed for the Alcator C-Mod tokamak wherein the Stokes vector is measured in multiple wavelength bands simultaneously on the same sightline to enable better polarized background subtraction. A ten-sightline, four wavelength MSE-MSLP detector system was designed, constructed, and qualified. This system consists of a high-throughput polychromator for each sightline designed to provide large étendue and precise spectral filtering in a cost-effective manner. Each polychromator utilizes four narrow bandpass interference filters and four custom large diameter avalanche photodiode detectors. Two filters collect light to the red and blue of the MSE emission spectrum while the remaining two filters collect the beam pi and sigma emission generated at the same viewing volume. The filter wavelengths are temperature tuned using custom ovens in an automated manner. All system functions are remote controllable and the system can be easily retrofitted to existing single-wavelength line-polarization MSE systems.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Direct functionalization of C-H bonds by electrophilic anions

Bond formation between two of the most inert molecules, alkanes and [B12X12]2- (X = Cl, Br), is performed in a two step process. Fragmentation of [B12X12]2- in the gas phase generates highly reactive [B12X11]- ions which spontaneously react with alkanes. The reaction mechanism was investigated using tandem mass spectrometry and gas-phase vibrational spectroscopy combined with electronic structure calculations. This effort revealed the unprecedented and counterintuitive electrophilic substitution of a proton in an alkane by a negatively charged ion resulting in a B-C bond formation. The product is a dianionic [B12X11CnH2n+1]2- species, in which H+ is electrostatically bound to the dianion. High flux ion soft-landing was performed to co-deposit [B12X11]- and complex organic molecules (phthalates) in thin layers on surfaces. Molecular structure analysis of the product films revealed that C-H functionalization by [B12X11]- occured in the presence of other more reactive functional groups. This observation demonstrates the utility of highly reactive fragment ions for defined bond formation processes and may pave the way to the use of gas phase ion chemistry for chemical synthesis in the condensed phase.

Warneke, Jonas↗

A SEARCH FOR l-C{sub 3}H{sup +} AND l-C{sub 3}H IN Sgr B2(N), Sgr B2(OH), AND THE DARK CLOUD TMC-1

Pety et al. recently reported the detection of several transitions of an unknown carrier in the Horsehead PDR and attribute them to l-C{sub 3}H{sup +}. Here, we have tested the predictive power of their fit by searching for, and identifying, the previously unobserved J = 1-0 and J = 2-1 transitions of the unknown carrier (B11244) toward Sgr B2(N) in data from the publicly available PRIMOS project. Also presented here are observations of the J = 6-5 and J = 7-6 transitions toward Sgr B2(N) and Sgr B2(OH) using the Barry E. Turner Legacy Survey and results from the Kaifu et al. survey of TMC-1. We calculate an excitation temperature and column density of B11244 of {approx}10 K and {approx}10{sup 13} cm{sup -2} in Sgr B2(N) and {approx}79 K with an upper limit of {<=}1.5 Multiplication-Sign 10{sup 13} cm{sup -2} in Sgr B2(OH) and find trace evidence for the cation's presence in TMC-1. Finally, we present spectra of the neutral species in both Sgr B2(N) and TMC-1, and comment on the robustness of the assignment of the detected signals to l-C{sub 3}H{sup +}.

79 ASTRONOMY AND ASTROPHYSICS↗

Return period of extreme rainfall substantially decreases under 1.5 °C and 2.0 °C warming: a case study for Uttarakhand, India

In June 2013, Uttarakhand experienced a hydro-meteorological disaster due to a 4 d extreme precipitation event of return period more than 100 years, claiming thousands of lives and causing enormous damage to infrastructure. Using the weather@home climate modelling system and its Half a degree Additional warming, Prognosis and Projected Impacts simulations, this study investigates the change in the return period of similar events in a 1.5 °C and 2 °C warmer world, compared to current and pre-industrial levels. We find that the likelihood of such extreme precipitation events will significantly increase under both future scenarios. We also estimate the change in extreme river flow at the Ganges; finding a considerable increase in the risk of flood events. Our results also suggest that until now, anthropogenic aerosols may have effectively counterbalanced the otherwise increased meteorological flood risk due to greenhouse gas (GHG) induced warming. Disentangling the response due to GHGs and aerosols is required to analyses the changes in future rainfall in the South Asia monsoon region. More research with other climate models is also necessary to make sure these results are robust.

54 ENVIRONMENTAL SCIENCES↗

Second-Phase Hepatitis C Plasma Viral Kinetics Directly Reflects Reduced Intrahepatic Burden of Hepatitis C Virus

Mathematical models explain how antivirals control viral infections. Hepatitis C virus (HCV) treatment results in at least 2 phases of decline in viremia. Here, the first phase reflects clearance of rapidly produced virions. The second phase is hypothesized to derive from loss of infected cells but has been challenging to prove. Using single-cell methods, we quantified the number of hepatitis C virus (HCV)-infected hepatocytes in liver biopsies taken before and within 7 days of initiating direct-acting antivirals (DAAs) in a double-blinded randomized controlled trial testing 2 (sofosbuvir-velpatasvir) versus 3 (sofosbuvir-velpatasvir-voxilaprevir) DAAs. We employed thousands of intrahepatic measurements in 10 persons with chronic genotype 1a HCV infection: median proportion of infected hepatocytes declined from 11.3% (range, 1.3%–59%) to 0.6% (range, <0.3%–5.8%), a loss of 75%–95% infected hepatocytes. Plasma viremia correlated with numbers of HCV-infected hepatocytes (r = 0.77; P < .0001). Second-phase plasma dynamics and changes in infected hepatocytes were indistinct (P = .16), demonstrating that second-phase viral dynamics derive from loss of infected cells. DAAs led to a decline in intracellular HCV RNA and interferon-stimulated gene expression (P < .05 for both). We proved that second-phase viral dynamics reflect decay of intrahepatic burden of HCV, partly due to clearance of HCV RNA from hepatocytes.

59 BASIC BIOLOGICAL SCIENCES↗

Calculation of the C 12 + C 12 sub-barrier fusion cross section in an imaginary-time-dependent mean field theory

The 12 C + 12 C sub-barrier fusion cross section is calculated within the framework of a time-dependent Hartree-Fock-based classical model using the Feynman path-integral method. The modified astrophysical S* factor is compared to direct and indirect experimental results. A good agreement with the direct data is found. In the lower-energy region where recent analyses of experimental data obtained with the Trojan horse method (THM) lead to contrasting results, the model predicts a nonresonant S* factor half-way between those results. Low-energy resonances revealed in the THM data are added to the calculation, and the relative reaction rate in the Gamow region is calculated. In particular, including 0 + resonances result in some agreement with the THM data. Here, the role of different resonances is discussed in detail, and their influence on the reaction rate at temperatures relevant to stellar evolution is investigated.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Effects of cluster correlations on fragment emission in 12 C+ 12 C at 50 MeV/nucleon

The effects of cluster correlations have been studied in the 12 C + 12 C reaction at 50 MeV/nucleon, using three AMD models, the AMD (AMD/D) without any additional cluster correlations, AMD/D-COALS with nucleon correlations based on a coalescence prescription for light cluster formations with A ≤ 4 and AMD-Cluster with an extended cluster correlation in two-nucleon collision processes and a special treatment for intermediate fragment formation with A ≤ 9. The angular distributions and energy spectra of fragments have been simulated and compared with the available experimental data. It is found that the cluster correlations take a crucial role to describe the productions of light charged particles (LCPs) and intermediate mass fragments (IMFs), and the AMD-cluster studied here provides a consistent overall reproduction of the experimental data. It is also shown that the significant effects of the secondary decay processes are involved for the fragment production besides the dynamical productions in the AMD stage. Detailed LCP and IMF production mechanisms involved in the intermediate energy heavy ion collisions are discussed.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Charmonium χ c 0 and χ c 2 resonances in coupled-channel scattering from lattice QCD

In order to explore the spectrum of hidden-charm scalar and tensor resonances, we study meson-meson scattering with J P C = 0 + + , 2 + + in the charmonium energy region using lattice QCD. Employing a light-quark mass corresponding to m π ≈ 391 MeV , we determine coupled-channel scattering amplitudes up to around 4100 MeV considering all kinematically relevant channels consisting of a pair of open-charm mesons or a charmonium meson with a light meson. A single isolated scalar resonance near 4000 MeV is found with large couplings to D D ¯ , D s D ¯ s and the kinematically closed D * D ¯ * channel. A single tensor resonance at a similar mass couples strongly to D D ¯ , D D ¯ * and D * D ¯ * . We compare the extracted resonances to contemporary experimental candidate states, previous lattice results and theoretical modeling. In contrast to several other studies, we do not find any significant feature in the scalar amplitudes between the ground state χ c 0 ( 1 P ) and the resonance found around 4000 MeV. Published by the American Physical Society 2024

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Automated fibroglandular tissue segmentation and volumetric density estimation in breast MRI using an atlas-aided fuzzy C-means method

Purpose: Breast magnetic resonance imaging (MRI) plays an important role in the clinical management of breast cancer. Studies suggest that the relative amount of fibroglandular (i.e., dense) tissue in the breast as quantified in MR images can be predictive of the risk for developing breast cancer, especially for high-risk women. Automated segmentation of the fibroglandular tissue and volumetric density estimation in breast MRI could therefore be useful for breast cancer risk assessment. Methods: In this work the authors develop and validate a fully automated segmentation algorithm, namely, an atlas-aided fuzzy C-means (FCM-Atlas) method, to estimate the volumetric amount of fibroglandular tissue in breast MRI. The FCM-Atlas is a 2D segmentation method working on a slice-by-slice basis. FCM clustering is first applied to the intensity space of each 2D MR slice to produce an initial voxelwise likelihood map of fibroglandular tissue. Then a prior learned fibroglandular tissue likelihood atlas is incorporated to refine the initial FCM likelihood map to achieve enhanced segmentation, from which the absolute volume of the fibroglandular tissue (|FGT|) and the relative amount (i.e., percentage) of the |FGT| relative to the whole breast volume (FGT%) are computed. The authors' method is evaluated by a representative dataset of 60 3D bilateral breast MRI scans (120 breasts) that span the full breast density range of the American College of Radiology Breast Imaging Reporting and Data System. The automated segmentation is compared to manual segmentation obtained by two experienced breast imaging radiologists. Segmentation performance is assessed by linear regression, Pearson's correlation coefficients, Student's pairedt-test, and Dice's similarity coefficients (DSC). Results: The inter-reader correlation is 0.97 for FGT% and 0.95 for |FGT|. When compared to the average of the two readers’ manual segmentation, the proposed FCM-Atlas method achieves a correlation ofr = 0.92 for FGT% and r = 0.93 for |FGT|, and the automated segmentation is not statistically significantly different (p = 0.46 for FGT% and p = 0.55 for |FGT|). The bilateral correlation between left breasts and right breasts for the FGT% is 0.94, 0.92, and 0.95 for reader 1, reader 2, and the FCM-Atlas, respectively; likewise, for the |FGT|, it is 0.92, 0.92, and 0.93, respectively. For the spatial segmentation agreement, the automated algorithm achieves a DSC of 0.69 ± 0.1 when compared to reader 1 and 0.61 ± 0.1 for reader 2, respectively, while the DSC between the two readers’ manual segmentation is 0.67 ± 0.15. Additional robustness analysis shows that the segmentation performance of the authors' method is stable both with respect to selecting different cases and to varying the number of cases needed to construct the prior probability atlas. The authors' results also show that the proposed FCM-Atlas method outperforms the commonly used two-cluster FCM-alone method. The authors' method runs at ∼5 min for each 3D bilateral MR scan (56 slices) for computing the FGT% and |FGT|, compared to ∼55 min needed for manual segmentation for the same purpose. Conclusions: The authors' method achieves robust segmentation and can serve as an efficient tool for processing large clinical datasets for quantifying the fibroglandular tissue content in breast MRI. It holds a great potential to support clinical applications in the future including breast cancer risk assessment.

62 RADIOLOGY AND NUCLEAR MEDICINE↗

DCE-MRI defined subvolumes of a brain metastatic lesion by principle component analysis and fuzzy-c-means clustering for response assessment of radiation therapy

Purpose: To develop a pharmacokinetic modelfree framework to analyze the dynamic contrast enhanced magnetic resonance imaging (DCE-MRI) data for assessment of response of brain metastases to radiation therapy. Methods: Twenty patients with 45 analyzable brain metastases had MRI scans prior to whole brain radiation therapy (WBRT) and at the end of the 2-week therapy. The volumetric DCE images covering the whole brain were acquired on a 3T scanner with approximately 5 s temporal resolution and a total scan time of about 3 min. DCE curves from all voxels of the 45 brain metastases were normalized and then temporally aligned. A DCE matrix that is constructed from the aligned DCE curves of all voxels of the 45 lesions obtained prior to WBRT is processed by principal component analysis to generate the principal components (PCs). Then, the projection coefficient maps prior to and at the end of WBRT are created for each lesion. Next, a pattern recognition technique, based upon fuzzy-c-means clustering, is used to delineate the tumor subvolumes relating to the value of the significant projection coefficients. The relationship between changes in different tumor subvolumes and treatment response was evaluated to differentiate responsive from stable and progressive tumors. Performance of the PC-defined tumor subvolume was also evaluated by receiver operating characteristic (ROC) analysis in prediction of nonresponsive lesions and compared with physiological-defined tumor subvolumes. Results: The projection coefficient maps of the first three PCs contain almost all response-related information in DCE curves of brain metastases. The first projection coefficient, related to the area under DCE curves, is the major component to determine response while the third one has a complimentary role. In ROC analysis, the area under curve of 0.88 ± 0.05 and 0.86 ± 0.06 were achieved for the PC-defined and physiological-defined tumor subvolume in response assessment. Conclusions: The PC-defined subvolume of a brain metastasis could predict tumor response to therapy similar to the physiological-defined one, while the former is determined more rapidly for clinical decision-making support.

62 RADIOLOGY AND NUCLEAR MEDICINE↗

Photocatalytic C–H activation and the subtle role of chlorine radical complexation in reactivity

A complex role for chlorine radicals Radicals are atoms or molecules that are highly reactive because they have an unpaired electron. A common means of investigating whether they are involved in a particular reaction is to try to trap them with an acceptor compound. Yang et al. reinvestigated a photoinduced alkane oxidation reaction for which a trapping study had previously implicated alkoxy radicals. Their spectroscopic, kinetic, and isotopic labeling studies revealed that chlorine, rather than alkoxy, was the key radical intermediate; the prior trapping results had stemmed from its complexation with alcohols. Science , abd8408, this issue p. 847

Science & Technology - Other Topics↗

Effects of first-order correction to eikonal approximation in the analysis of {sup 9}Be({sup 15}C,{sup 14}C + n){sup 9}Be stripping reaction

We have studied the effects of the first-order correction to the eikonal approximation for {sup 9}Be({sup 15}C,{sup 14}C + n){sup 9}Be stripping reactions at 54A MeV incident energy and have found that the correction term slightly changes the tail of the longitudinal momentum distribution of the core fragment.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗