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Small-Angle and Ultrasmall-Angle Neutron Scattering (SANS/USANS) Study of New Albany Shale: A Treatise on Microporosity
We applied small-angle neutron scattering (SANS) and ultrasmall-angle neutron scattering (USANS) techniques in order to study the microstructure of several New Albany shales of different maturity. It has been established that the total porosity decreases with maturity and increases somewhat for post-mature samples. One new method of SANS data analysis was developed, which allows the extraction of information about the size range and number density of micropores from the relatively flat scattering intensity observed in the limit of the large scattering vector Q. Macropores and significant number of mesopores are surface fractals, and their structure can be described in terms of the polydisperse spheres (PDSP) model. The model-independent Porod invariant method was employed to estimate total porosity, and the results were compared with the PDSP model results. It has been demonstrated that independent evaluation of incoherent background is crucial for accurate interpretation of the scattering data in the limit of large Q-values. Moreover, pore volumes estimated by the N-2 and CO 2 adsorption, as well as via the mercury intrusion technique, have been compared with those measured by SANS/USANS, and possible reasons for the observed discrepancies are discussed.
Precision determination of electron scattering angle by differential nuclear recoil energy method
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Measurement of carbon condensates using small-angle x-ray scattering during detonation of the high explosive hexanitrostilbene
The dynamics of carbon condensation in detonating high explosives remains controversial. Detonation model validation requires data for processes occurring at nanometer length scales on time scales ranging from nanoseconds to microseconds. A new detonation endstation has been commissioned to acquire and provide time-resolved small-angle x-ray scattering (SAXS) from detonating explosives. Hexanitrostilbene (HNS) was selected as the first to investigate due to its ease of initiation using exploding foils and flyers, vacuum compatibility, high thermal stability, and stoichiometric carbon abundance that produces high carbon condensate yields. The SAXS data during detonation, collected with 300 ns time resolution, provide unprecedented signal fidelity over a broad q-range. This fidelity permits the first analysis of both the Guinier and Porod/power-law regions of the scattering profile during detonation, which contains information about the size and morphology of the resultant carbon condensate nanoparticles. To bolster confidence in these data, the scattering angle and intensity were additionally cross-referenced with a separate, highly calibrated SAXS beamline. The data show that HNS produces carbon particles with a radius of gyration of 2.7 nm in less than 400 ns after the detonation front has passed, and this size and morphology are constant over the next several microseconds. These data directly contradict previous pioneering work on RDX/TNT mixtures and TATB, where observations indicate significant particle growth (50% or more) continues over several microseconds. The power-law slope is about −3, which is consistent with a complex disordered, irregular, or folded sp{sup 2} sub-arrangement within a relatively monodisperse structure possessing radius of gyration of 2.7 nm after the detonation of HNS.
Measurement of the Effective Weak Mixing Angle in p p ¯ → Z / γ * → e + e - Events
We present a measurement of the fundamental parameter of the standard model, the weak mixing angle sin 2 θ ℓ eff which determines the relative strength of weak and electromagnetic interactions, in pp¯→Z/γ*→e + e - events at a center of mass energy of 1.96 TeV, using data corresponding to 9.7 fb -1 of integrated luminosity collected by the D0 detector at the Fermilab Tevatron. The effective weak mixing angle is extracted from the forward-backward charge asymmetry as a function of the invariant mass around the Z boson pole. The measured value of sin 2 θ ℓ eff =0.23147±0.00047 is the most precise measurement from light quark interactions to date, with a precision close to the best LEP and SLD results.
Realizing in-plane surface diffraction by x-ray multiple-beam diffraction with large incidence angle
Based on rigorous dynamical-theory calculations, we demonstrate in this paper the principle of an x-ray multiple-beam diffraction (MBD) scheme that overcomes the long-lasting difficulties of high-resolution in-plane diffraction from crystal surfaces. This scheme only utilizes symmetric reflection geometry with large incident angles but activates the out-of-plane and in-plane diffraction processes simultaneously and separately in the continuous MBD planes. The in-plane diffraction is realized by detoured MBD, where the intermediate diffracted waves propagate parallel to the surface, which corresponds to an absolute Bragg surface diffraction configuration that is extremely sensitive to surface structures. Finally, a series of MBD diffraction and imaging techniques may be developed from this principle to study surface/interface (misfit) strains, lateral nanostructures, and phase transitions of a wide range of (pseudo)cubic crystal structures, including ultrathin epitaxial films and multilayers, quantum dots, strain-engineered semiconductor or (multi)ferroic materials, etc.
Exploring Pore Formation of Atomic Layer-Deposited Overlayers by in Situ Small- and Wide-Angle X-ray Scattering
In this work, we explore the pore structure of overcoated materials by in situ synchrotron small- and wide-angle X-ray scattering (SAXS)/(WAXS). Thin films of aluminum oxide (Al2O3) and titanium dioxide (TiO2) with thicknesses of 4.9 and 2.5 nm, respectively, are prepared by atomic layer deposition (ALD) on non-porous nanoparticles. In situ X-ray measurements reveal that porosity is induced in the ALD films by annealing the samples at high temperature. Moreover, this pore formation can be attributed to densification resulting from an amorphous to crystalline phase transition of the ALD films as confirmed by high resolution X-ray diffraction (XRD) and pair distribution function (PDF). Simultaneous SAXS/WAXS results not only show that the porosity is formed by this phase transition but also that the pore size increases with temperature.
Effect of Blown Powder Directed Energy Deposition Angle On Overspray Contamination
Abstract Blown powder directed energy deposition (DED) hybrid machine tools are particularly beneficial when the net shape of a component is to be manufactured in an additive and machined interleaved fashion. This investigation seeks to analyze the effect of the additive head lean angle relative to the part on blown powder DED surface contamination due to overspray. These hybrid DED platforms are commonly installed on multi-axis machining systems where the lean of the deposition head relative to the component surface can be controlled by tilting the component. The blown powder DED process has a 10–50% lower catchment efficiency as compared to wire fed DED systems. This excess powder is still fed towards the deposition location where the particles are heated by the laser and rebound off the melt pool. Some of these heated particles impact the previously machined thin-wall surface. While the deposition process and tool path planning process has been evaluated, the effect of the overspray due to lean angle of the deposition head on the previously thin-wall machined surface is not yet fully understood. This investigation found that minimum lean angle coincides with minimal overspray effect with nearly no contamination. If a lean angle is required, the maximum lean angle possible should be implemented for the smallest effected overspray area on the machined surface which was found to decrease the affect zone by half compared to intermediate lean angles. A diameter divergence was also noticed as the deposition angle was increased. In this study, a thorough analysis of the surface and geometric effects when depositing thin-walled components at varying angles is completed. It has been shown that part quality can be significantly affected by lean angle and thus must be incorporated as an additional design consideration in the manufacturing process.
SU-E-T-446: Group-Sparsity Based Angle Generation Method for Beam Angle Optimization
Purpose: This work is to develop the effective algorithm for beam angle optimization (BAO), with the emphasis on enabling further improvement from existing treatment-dependent templates based on clinical knowledge and experience. Methods: The proposed BAO algorithm utilizes a priori beam angle templates as the initial guess, and iteratively generates angular updates for this initial set, namely angle generation method, with improved dose conformality that is quantitatively measured by the objective function. That is, during each iteration, we select “the test angle” in the initial set, and use group-sparsity based fluence map optimization to identify “the candidate angle” for updating “the test angle”, for which all the angles in the initial set except “the test angle”, namely “the fixed set”, are set free, i.e., with no group-sparsity penalty, and the rest of angles including “the test angle” during this iteration are in “the working set”. And then “the candidate angle” is selected with the smallest objective function value from the angles in “the working set” with locally maximal group sparsity, and replaces “the test angle” if “the fixed set” with “the candidate angle” has a smaller objective function value by solving the standard fluence map optimization (with no group-sparsity regularization). Similarly other angles in the initial set are in turn selected as “the test angle” for angular updates and this chain of updates is iterated until no further new angular update is identified for a full loop. Results: The tests using the MGH public prostate dataset demonstrated the effectiveness of the proposed BAO algorithm. For example, the optimized angular set from the proposed BAO algorithm was better the MGH template. Conclusion: A new BAO algorithm is proposed based on the angle generation method via group sparsity, with improved dose conformality from the given template. Hao Gao was partially supported by the NSFC (#11405105), the 973 Program (#2015CB856000) and the Shanghai Pujiang Talent Program (#14PJ1404500)
A limited-angle intrafraction verification (LIVE) system for radiation therapy
Purpose: Currently, no 3D or 4D volumetric x-ray imaging techniques are available for intrafraction verification of target position during actual treatment delivery or in-between treatment beams, which is critical for stereotactic radiosurgery (SRS) and stereotactic body radiation therapy (SBRT) treatments. This study aims to develop a limited-angle intrafraction verification (LIVE) system to use prior information, deformation models, and limited angle kV-MV projections to verify target position intrafractionally. Methods: The LIVE system acquires limited-angle kV projections simultaneously during arc treatment delivery or in-between static 3D/IMRT treatment beams as the gantry moves from one beam to the next. Orthogonal limited-angle MV projections are acquired from the beam's eye view (BEV) exit fluence of arc treatment beam or in-between static beams to provide additional anatomical information. MV projections are converted to kV projections using a linear conversion function. Patient prior planning CT at one phase is used as the prior information, and the on-board patient volume is considered as a deformation of the prior images. The deformation field is solved using the data fidelity constraint, a breathing motion model extracted from the planning 4D-CT based on principal component analysis (PCA) and a free-form deformation (FD) model. LIVE was evaluated using a 4D digital extended cardiac torso phantom (XCAT) and a CIRS 008A dynamic thoracic phantom. In the XCAT study, patient breathing pattern and tumor size changes were simulated from CT to treatment position. In the CIRS phantom study, the artificial target in the lung region experienced both size change and position shift from CT to treatment position. Varian Truebeam research mode was used to acquire kV and MV projections simultaneously during the delivery of a dynamic conformal arc plan. The reconstruction accuracy was evaluated by calculating the 3D volume percentage difference (VPD) and the center of mass (COM) difference of the tumor in the true on-board images and reconstructed images. Results: In both simulation and phantom studies, LIVE achieved substantially better reconstruction accuracy than reconstruction using PCA or FD deformation model alone. In the XCAT study, the average VPD and COM differences among different patient scenarios for LIVE system using orthogonal 30° scan angles were 4.3% and 0.3 mm when using kV+BEV MV. Reducing scan angle to 15° increased the average VPD and COM differences to 15.1% and 1.7 mm. In the CIRS phantom study, the VPD and COM differences for the LIVE system using orthogonal 30° scan angles were 6.4% and 1.4 mm. Reducing scan angle to 15° increased the VPD and COM differences to 51.9% and 3.8 mm. Conclusions: The LIVE system has the potential to substantially improve intrafraction target localization accuracy by providing volumetric verification of tumor position simultaneously during arc treatment delivery or in-between static treatment beams. With this improvement, LIVE opens up a new avenue for margin reduction and dose escalation in both fractionated treatments and SRS and SBRT treatments.
Analysis of the solution structure of Thermosynechococcus elongatus photosystem I in n-dodecyl-β-d-maltoside using small-angle neutron scattering and molecular dynamics simulation
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A novel method for experimental characterization of large-angle scattered particles in scanned carbon-ion therapy
Purpose: It is essential to consider large-angle scattered particles in dose calculation models for therapeutic carbon-ion beams. However, it is difficult to measure the small dose contribution from large-angle scattered particles. In this paper, the authors present a novel method to derive the parameters describing large-angle scattered particles from the measured results. Methods: The authors developed a new parallel-plate ionization chamber consisting of concentric electrodes. Since the sensitive volume of each channel is increased linearly with this type, it is possible to efficiently and easily detect small contributions from the large-angle scattered particles. The parameters describing the large-angle scattered particles were derived from pencil beam dose distribution in water measured with the new ionization chamber. To evaluate the validity of this method, the correction for the field-size dependence of the doses, “predicted-dose scaling factor,” was calculated with the new parameters. Results: The predicted-dose scaling factor calculated with the new parameters was compared with the existing one. The difference between the new correction factor and the existing one was 1.3%. For target volumes of different sizes, the calculated dose distribution with the new parameters was in good agreement with the measured one. Conclusions: Parameters describing the large-angle scattered particles can be efficiently and rapidly determined using the new ionization chamber. The authors confirmed that the field-size dependence of the doses could be compensated for by the new parameters. This method makes it possible to easily derive the parameters describing the large-angle scattered particles, while maintaining the dose calculation accuracy.
On the impact of large angle CMB polarization data on cosmological parameters
We study the impact of the large-angle CMB polarization datasets publicly released by the WMAP and Planck satellites on the estimation of cosmological parameters of the ΛCDM model. To complement large-angle polarization, we consider the high resolution (or "high-ℓ") CMB datasets from either WMAP or Planck as well as CMB lensing as traced by Planck's measured four point correlation function. In the case of WMAP, we compute the large-angle polarization likelihood starting over from low resolution frequency maps and their covariance matrices, and perform our own foreground mitigation technique, which includes as a possible alternative Planck 353 GHz data to trace polarized dust. We find that the latter choice induces a downward shift in the optical depth τ, roughly of order 2σ, robust to the choice of the complementary high resolution dataset. When the Planck 353 GHz is consistently used to minimize polarized dust emission, WMAP and Planck 70 GHz large-angle polarization data are in remarkable agreement: by combining them we find τ = 0.066 +0.012-0.013, again very stable against the particular choice for high-ℓ data. We find that the amplitude of primordial fluctuations As, notoriously degenerate with τ, is the parameter second most affected by the assumptions on polarized dust removal, but the other parameters are also affected, typically between 0.5 and 1σ. In particular, cleaning dust with Planck's 353 GHz data imposes a 1σ downward shift in the value of the Hubble constant H0, significantly contributing to the tension reported between CMB based and direct measurements of the present expansion rate. On the other hand, we find that the appearance of the so-called low ℓ anomaly, a well-known tension between the high- and low-resolution CMB anisotropy amplitude, is not significantly affected by the details of large-angle polarization, or by the particular high-ℓ dataset employed.
SU-E-I-56: Scan Angle Reduction for a Limited-Angle Intrafraction Verification (LIVE) System
Purpose: To develop a novel adaptive reconstruction strategy to further reduce the scanning angle required by the limited-angle intrafraction verification (LIVE) system for intrafraction verification. Methods: LIVE acquires limited angle MV projections from the exit fluence of the arc treatment beam or during gantry rotation between static beams. Orthogonal limited-angle kV projections are also acquired simultaneously to provide additional information. LIVE considers the on-board 4D-CBCT images as a deformation of the prior 4D-CT images, and solves the deformation field based on deformation models and data fidelity constraint. LIVE reaches a checkpoint after a limited-angle scan, and reconstructs 4D-CBCT for intrafraction verification at the checkpoint. In adaptive reconstruction strategy, a larger scanning angle of 30° is used for the first checkpoint, and smaller scanning angles of 15° are used for subsequent checkpoints. The onboard images reconstructed at the previous adjacent checkpoint are used as the prior images for reconstruction at the current checkpoint. As the algorithm only needs to reconstruct the small deformation occurred between adjacent checkpoints, projections from a smaller scan angle provide enough information for the reconstruction. XCAT was used to simulate tumor motion baseline drift of 2mm along sup-inf direction at every subsequent checkpoint, which are 15° apart. Adaptive reconstruction strategy was used to reconstruct the images at each checkpoint using orthogonal 15° kV and MV projections. Results: Results showed that LIVE reconstructed the tumor volumes accurately using orthogonal 15° kV-MV projections. Volume percentage differences (VPDs) were within 5% and center of mass shifts (COMS) were within 1mm for reconstruction at all checkpoints. Conclusion: It's feasible to use an adaptive reconstruction strategy to further reduce the scan angle needed by LIVE to allow faster and more frequent intrafraction verification to minimize the treatment errors in lung cancer treatments. Grant from Varian Medical System.
Hydrodynamics of countercurrent flows in a structured packed column: effects of initial wetting and dynamic contact angle
The structured packed column has gained considerable attention as a prospective technology to mitigate carbon dioxide emissions from thermal power plants. The computational flow investigation of such systems is a multiscale problem, and local hydrodynamics plays a key role in overall column efficiency. Accordingly, multiphase flow studies in the representative elementary unit (REU) of a packed column can offer insights into the local flow behavior such as flow pattern, interfacial area, etc. The interfacial area plays a key role in the overall interphase mass transfer and thereby in separation efficiency. The predicted effective area matches well with corresponding ones in experiments for Mellapak 250.Y packings. The contact angle (i.e., solid substrate behavior) is one of the critical factors that dictates wettings, and thereby the interfacial area. The dynamic contact angle (DCA) was considered in order to explore the effects of contact angle hysteresis on the interfacial area. DCA has more pronounced impact on the interfacial area for a solvent possessing a higher value of surface tension and equilibrium contact angle. The interfacial area shows temporal undulation and does not achieve a pseudo steady state due to the capillary force. In contrary, the interfacial area gets a net value for a solvent having low surface tension value. Further, specification of the static contact angle at the solid substrate shows the least value of the interfacial area. We also extensively studied the effect of the initial sheet condition (dry vs wet) on the interfacial area. The initially wetted sheets show slightly higher value of the interfacial area as compared to the initially dry sheets at a fixed flow rate for a solvent having high surface tension value. Wetting hysteresis decreases with increasing liquid loads. On the other hand, wetting hysteresis does not occur for a solvent having value of low surface tension and equilibrium contact angle.
Monte Carlo calculation of large and small-angle electron scattering in air
A Monte Carlo method for angle scattering of electrons in air that accommodates the small-angle multiple scattering and larger-angle single scattering limits is introduced. The algorithm is designed for use in a particle-in-cell simulation of electron transport and electromagnetic wave effects in air. The method is illustrated in example calculations.
Understanding nucleic acid structural changes by comparing wide-angle x-ray scattering (WAXS) experiments to molecular dynamics simulations
Wide-angle x-ray scattering (WAXS) is emerging as a powerful tool for increasing the resolution of solution structure measurements of biomolecules. Compared to its better known complement, small angle x-ray scattering (SAXS), WAXS targets higher scattering angles and can enhance structural studies of molecules by accessing finer details of solution structures. Although the extension from SAXS to WAXS is easy to implement experimentally, the computational tools required to fully harness the power of WAXS are still under development. Currently, WAXS is employed to study structural changes and ligand binding in proteins; however, the methods are not as fully developed for nucleic acids. Here, we show how WAXS can qualitatively characterize nucleic acid structures as well as the small but significant structural changes driven by the addition of multivalent ions. We show the potential of WAXS to test all-atom molecular dynamics (MD) simulations and to provide insight into understanding how the trivalent ion cobalt(III) hexammine (CoHex) affects the structure of RNA and DNA helices. We find that MD simulations capture the RNA structural change that occurs due to addition of CoHex.