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At least 1,423 records · Page 79

Correlation between macro- and nano-scopic measurements of carbon nanostructured paper elastic modulus

Extensive work has been done in order to determine the bulk elastic modulus of isotropic samples from force curves acquired with atomic force microscopy. However, new challenges are encountered given the development of new materials constructed of one-dimensional anisotropic building blocks, such as carbon nanostructured paper. In the present work, we establish a reliable framework to correlate the elastic modulus values obtained by amplitude modulation atomic force microscope force curves, a nanoscopic technique, with that determined by traditional macroscopic tensile testing. In order to do so, several techniques involving image processing, statistical analysis, and simulations are used to find the appropriate path to understand how macroscopic properties arise from anisotropic nanoscale components, and ultimately, being able to calculate the value of bulk elastic modulus.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

A simulation technique for 3D MR-guided acoustic radiation force imaging

Purpose: In magnetic resonance-guided focused ultrasound (MRgFUS) therapies, the in situ characterization of the focal spot location and quality is critical. MR acoustic radiation force imaging (MR-ARFI) is a technique that measures the tissue displacement caused by the radiation force exerted by the ultrasound beam. This work presents a new technique to model the displacements caused by the radiation force of an ultrasound beam in a homogeneous tissue model. Methods: When a steady-state point-source force acts internally in an infinite homogeneous medium, the displacement of the material in all directions is given by the Somigliana elastostatic tensor. The radiation force field, which is caused by absorption and reflection of the incident ultrasound intensity pattern, will be spatially distributed, and the tensor formulation takes the form of a convolution of a 3D Green’s function with the force field. The dynamic accumulation of MR phase during the ultrasound pulse can be theoretically accounted for through a time-of-arrival weighting of the Green’s function. This theoretical model was evaluated experimentally in gelatin phantoms of varied stiffness (125-, 175-, and 250-bloom). The acoustic and mechanical properties of the phantoms used as parameters of the model were measured using independent techniques. Displacements at focal depths of 30- and 45-mm in the phantoms were measured by a 3D spin echo MR-ARFI segmented-EPI sequence. Results: The simulated displacements agreed with the MR-ARFI measured displacements for all bloom values and focal depths with a normalized RMS difference of 0.055 (range 0.028–0.12). The displacement magnitude decreased and the displacement pattern broadened with increased bloom value for both focal depths, as predicted by the theory. Conclusions: A new technique that models the displacements caused by the radiation force of an ultrasound beam in a homogeneous tissue model theory has been rigorously validated through comparison with experimentally obtained 3D displacement data in homogeneous gelatin phantoms using a 3D MR-ARFI sequence. The agreement of the experimentally measured and simulated results demonstrates the potential to use MR-ARFI displacement data in MRgFUS therapies.

60 APPLIED LIFE SCIENCES↗

Sulfur dimers adsorbed on Au(111) as building blocks for sulfur octomers formation: A density functional study

Experimental scanning tunneling microscopy (STM) studies have shown for more than two decades rectangular formations when sulfur atoms are deposited on Au(111) surfaces. The precursors have ranged from simple molecules or ions, such as SO{sub 2} gas or sulfide anions, to more complex organosulfur compounds. We investigated, within the framework of the Density Functional Theory, the structure of these rectangular patterns assuming them entirely composed of sulfur atoms as the experimental evidence suggests. The sulfur coverage at which the simulations were carried out (0.67 ML or higher) provoked that the sulfur-sulfur association had to be taken into account for achieving a good agreement between the sets of simulated and experimental STM images. A combination of four sulfur dimers per rectangular formation properly explained the trends obtained by the experimental STM analysis which were related with the rectangles' size and shape fluctuations together with sulfur-sulfur distances within these rectangles. Finally, a projected density of states analysis showed that the dimers were capable of altering the Au(5d) electronic states at the same level as atomic sulfur adsorbed at low coverage. Besides, sulfur dimers states were perfectly distinguished, whose presence near and above the Fermi level can explain both: sulfur-sulfur bond elongation and dimers stability when they stayed adsorbed on the surface at high coverage.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Dynamics and energy coupling of gas puff Z-pinches on a fast linear transformer driver

Gas puff Z-pinch experiments with annular Ar and Ne gas shells have been conducted on the Compact Experimental System for Z-pinch and Ablation Research (CESZAR) linear transformer driver (LTD) with 500 kA current and 160 ns rise time. Here, we present results from the first systematic gas puff Z-pinch experiments using a fast (≤ 200 ns) LTD as a driver, in which we show that 7% of the stored energy in the capacitors is coupled to plasma kinetic energy as estimated via self-emission and laser schlieren images. 0D and 1D simulations—which do not allow instability growth and thus reach greater maximum average velocities—using initial conditions inferred from experimental implosion trajectories predict coupling in excess of 10% of the stored energy. Additionally, the Ar and Ne implosions were comparably massed and thus achieved similar maximum kinetic energies, though the Ne pinches were more stable and the x-ray pulses were longer and produced higher yield: 2–5 ns and 0.21–0.52 J (0.15–0.37 J/cm) of Ar K-shell and 12–25 ns and 2.2–3.9 J (1.6–2.6 J/cm) of Ne K-shell, respectively. The difference in stability is most likely attributed to variations in initial conditions such as density distribution and gas breakdown initiation.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Simulating Remote Sensing Systems

The Application Research Toolbox (ART) is a collection of computer programs that implement algorithms and mathematical models for simulating remote sensing systems. The ART is intended to be especially useful for performing design-tradeoff studies and statistical analyses to support the rational development of design requirements for multispectral imaging systems. Among other things, the ART affords a capability to synthesize coarser-spatial-resolution image-data products. The ART also provides for simulations of image-degradation effects, including point-spread functions, misregistration of spectral images, and noise. The ART can utilize real or synthetic data sets, along with sensor specifications, to create simulated data sets. In one example of a particular application, simulated imagery of a coarse resolution system was created using high-resolution imagery from another system in order to perform a radiometric cross-comparison. In the case of a proposed sensor system, the simulated data can be used to conduct trade studies and statistical analyses to ensure that the sensor system will satisfy the requirements of potential scientific, academic, and commercial user communities.

Zanoni, Vicki↗

MO-F-CAMPUS-J-04: Radiation Heat Load On the MR System of the Elekta Atlantic System

Purpose: The Elekta Atlantic system combines a digital linear accelerator system with a 1.5T Philips MRI machine.This study aimed to assess the energy deposited within the cryostat system when the radiation beam passes through the cryostat. The cryocooler on the magnet has a cooling capacity which is about 1 Watt in excess of the cryogenic heat leak into the magnet’s cold mass. A pressure-controlled heater inside the magnet balances the excess refrigeration power such that the helium pressure in the tank is kept slightly above ambient air pressure. If radiation power is deposited in the cold mass then this heater will need less power to maintain pressure equilibrium and if the radiation heat load exceeds the excess cryocooler capacity the pressure will rise. Methods: An in-house CAD based Monte Carlo code based on Penelope was used to model the entire MR-Linac system to quantify the heat load on the magnet’s cold mass. These results were then compared to experimental results obtained from an Elekta Atlantic system installed in UMC-Utrecht. Results: For a field size of 25 cm x 22 cm and a dose rate of 107 mu.min-1, the energy deposited by the radiation beam led to a reduction in heater power from 1.16 to 0.73 W. Simulations predicted a reduction to 0.69 W which is in good agreement. For the worst case field size (largest) and maximum dose rate the cryostat cooler capacity was exceeded. This resulted in a pressure rise within the system but was such that continuous irradiation for over 12 hours would be required before the magnet would start blowing off helium. Conclusion: The study concluded that the Atlantic system does not have to be duty cycle restricted, even for the worst case non-clinical scenario and that there are no adverse effects on the MR system. Stephen Towe and David Roberts Both work for Elekta; Ezra Van Lanen works for Philips Healthcare; Johan Overweg works for Philips Innovative Technologies.

60 APPLIED LIFE SCIENCES↗

THE BULGELESS SEYFERT/LINER GALAXY NGC 3367: DISK, BAR, LOPSIDEDNESS, AND ENVIRONMENT

NGC 3367 is a nearby isolated active galaxy that shows a radio jet, a strong bar, and evidence of lopsidedness. We present a quantitative analysis of the stellar and gaseous structure of the galaxy disk and search for evidence of recent interaction. Our study is based on new UBVRI H{alpha} and JHK images and on archive H{alpha} Fabry-Perot and H I Very Large Array data. From a coupled one-dimensional/two-dimensional GALFIT bulge/bar/disk decomposition a (B/D {approx} 0.07-0.1) exponential pseudobulge is inferred in all the observed bands. A near-infrared (NIR) estimate of the bar strength Q{sup max}{sub T}(R) = 0.44 places NGC 3367 bar among the strongest ones. The asymmetry properties were studied using (1) the optical and NIR concentration-asymmetry-clumpiness indices, (2) the stellar (NIR) and gaseous (H{alpha}, H I) A{sub 1} Fourier mode amplitudes, and (3) the H I-integrated profile and H I mean intensity distribution. While the average stellar component shows asymmetry values close to the average found in the local universe for isolated galaxies, the young stellar component and gas values are largely decoupled showing significantly larger A{sub 1} mode amplitudes suggesting that the gas has been recently perturbed and placing NGC 3367 in a global starburst phase. NGC 3367 is devoid of H I gas in the central regions where a significant amount of molecular CO gas exists instead. Our search for (1) faint stellar structures in the outer regions (up to {mu}{sub R} {approx} 26 mag arcsec{sup -2}), (2) (H{alpha}) star-forming satellite galaxies, and (3) regions with different colors (stellar populations) along the disk all failed. Such an absence is interpreted by using results from recent numerical simulations to constrain either a possible tidal event with an LMC like galaxy to some dynamical times in the past or a very low mass but perhaps gas rich recent encounter. We conclude that a cold flow accretion mode (gas and small/dark galaxies) may be responsible for the nuclear activity and peculiar (young stars and gas) morphology regardless of the highly isolated environment. Black hole growth in bulgeless galaxies may be triggered by smooth mass accretion.

79 ASTRONOMY AND ASTROPHYSICS↗

A NEW TOOL FOR IMAGE ANALYSIS BASED ON CHEBYSHEV RATIONAL FUNCTIONS: CHEF FUNCTIONS

We introduce a new approach to the modeling of the light distribution of galaxies, an orthonormal polar basis formed by a combination of Chebyshev rational functions and Fourier polynomials that we call CHEF functions, or CHEFs. We have developed an orthonormalization process to apply this basis to pixelized images, and implemented the method as a Python pipeline. The new basis displays remarkable flexibility, being able to accurately fit all kinds of galaxy shapes, including irregulars, spirals, ellipticals, highly compact, and highly elongated galaxies. It does this while using fewer components than similar methods, as shapelets, and without producing artifacts, due to the efficiency of the rational Chebyshev polynomials to fit quickly decaying functions like galaxy profiles. The method is linear and very stable, and therefore is capable of processing large numbers of galaxies in a fast and automated way. Due to the high quality of the fits in the central parts of the galaxies, and the efficiency of the CHEF basis modeling galaxy profiles up to very large distances, the method provides highly accurate estimates of total galaxy fluxes and ellipticities. Future papers will explore in more detail the application of the method to perform multiband photometry, morphological classification, and weak shear measurements.

79 ASTRONOMY AND ASTROPHYSICS↗

Design of teleoperation system with a force-reflecting real-time simulator

We developed a force-reflecting teleoperation system that uses a real-time graphic simulator. This system eliminates the effects of communication time delays in remote robot manipulation. The simulator provides the operator with predictive display and feedback of computed contact forces through a six-degree of freedom (6-DOF) master arm on a real-time basis. With this system, peg-in-hole tasks involving round-trip communication time delays of up to a few seconds were performed at three support levels: a real image alone, a predictive display with a real image, and a real-time graphic simulator with computed-contact-force reflection and a predictive display. The experimental results indicate the best teleoperation efficiency was achieved by using the force-reflecting simulator with two images. The shortest work time, lowest sensor maximum, and a 100 percent success rate were obtained. These results demonstrate the effectiveness of simulated-force-reflecting teleoperation efficiency.

Hirata, Mitsunori↗

Benefits of adaptive radiation therapy in lung cancer as a function of replanning frequency

Purpose: To quantify the potential benefit associated with daily replanning in lung cancer in terms of normal tissue dose sparing and to characterize the tradeoff between adaptive benefit and replanning frequency. Methods: A set of synthetic images and contours, derived from weekly active breathing control images of 12 patients who underwent radiation therapy treatment for nonsmall cell lung cancer, is generated for each fraction of treatment using principal component analysis in a way that preserves temporal anatomical trends (e.g., tumor regression). Daily synthetic images and contours are used to simulate four different treatment scenarios: (1) a “no-adapt” scenario that simulates delivery of an initial plan throughout treatment, (2) a “midadapt” scenario that implements a single replan for fraction 18, (3) a “weekly adapt” scenario that simulates weekly adaptations, and (4) a “full-adapt” scenario that simulates daily replanning. An initial intensity modulated radiation therapy plan is created for each patient and replanning is carried out in an automated fashion by reoptimizing beam apertures and weights. Dose is calculated on each image and accumulated to the first in the series using deformable mappings utilized in synthetic image creation for comparison between simulated treatments. Results: Target coverage was maintained and cord tolerance was not exceeded for any of the adaptive simulations. Average reductions in mean lung dose (MLD) and volume of lung receiving 20 Gy or more (V20{sub lung}) were 65 ± 49 cGy (p = 0.000 01) and 1.1% ± 1.2% (p = 0.0006), respectively, for all patients. The largest reduction in MLD for a single patient was 162 cGy, which allowed an isotoxic escalation of the target dose of 1668 cGy. Average reductions in cord max dose, mean esophageal dose (MED), dose received by 66% of the heart (D66{sub heart}), and dose received by 33% of the heart (D33{sub heart}), were 158 ± 280, 117 ± 121, 37 ± 77, and 99 ± 120 cGy, respectively. Average incremental reductions in MLD for the midadapt, weekly adapt, and full-adapt treatments were 38, 18, and 8 cGy, respectively. Incremental reductions in MED for the same treatments were 57, 37, and 23 cGy. Reductions in MLD and MED for the full-adapt treatment were correlated with the absolute decrease in the planning target volume (r = 0.34 and r = 0.26). Conclusions: Adaptive radiation therapy for lung cancer yields clinically relevant reductions in normal tissue doses for frequencies of adaptation ranging from a single replan up to daily replanning. Increased frequencies of adaptation result in additional benefit while magnitude of benefit decreases.

60 APPLIED LIFE SCIENCES↗

SU-G-TeP4-04: An Automated Monte Carlo Based QA Framework for Pencil Beam Scanning Treatments

Purpose: Prior to treating new PBS field, multiple (three) patient-field-specific QA measurements are performed: two 2D dose distributions at shallow depth (M1) and at the tumor depth (M2) with treatment hardware at zero gantry angle; one 2D dose distribution at iso-center (M3) without patient specific devices at the planned gantry angle. This patient-specific QA could be simplified by the use of MC model. The results of MC model commissioning for a spot-scanning system and the fully automated TOPAS/MC-based QA framework will be presented. Methods: We have developed in-house MC interface to access a TPS (Astroid) database from a computer cluster remotely. Once a plan is identified, the interface downloads information for the MC simulations, such as patient images, apertures points, and fluence maps and initiates calculations in both the patient and QA geometries. The resulting calculations are further analyzed to evaluate the TPS dose accuracy and the PBS delivery. Results: The Monte Carlo model of our system was validated within 2.0 % accuracy over the whole range of the dose distribution (proximal/shallow part, as well as target dose part) due to the location of the measurements. The averaged range difference after commissioning was 0.25 mm over entire treatment ranges, e.g., 6.5 cm to 31.6 cm. Conclusion: As M1 depths range typically from 1 cm to 4 cm from the phantom surface, The Monte Carlo model of our system was validated within +− 2.0 % in absolute dose level over a whole treatment range. The averaged range difference after commissioning was 0.25 mm over entire treatment ranges, e.g., 6.5 cm to 31.6 cm. This work was supported by NIH/NCI under CA U19 21239.

60 APPLIED LIFE SCIENCES↗

EFFECT OF BACKGROUND MAGNETIC FIELD ON TURBULENCE DRIVEN BY MAGNETOROTATIONAL INSTABILITY IN ACCRETION DISKS

We investigate the background magnetic field dependence of the saturated state of a magnetorotational instability (MRI) in an accretion disk by performing three-dimensional magnetohydrodynamic simulations. We assume an unstratified disk by employing the local shearing box approximation. Three different uniform background magnetic field configurations are treated for a wide range of field intensities. These simulations indicate that the time variations of the turbulent stress and the magnetic energy are altered by the presence of a poloidal component of the background field. We find that the saturation amplitude of the turbulent stress and the magnetic energy are determined by both the poloidal and azimuthal components of the field. In particular, when the poloidal component has the same intensity, the obtained turbulent stress for {beta}{sub y0} Almost-Equal-To 200 becomes smaller than those for a purely poloidal field case. Despite the fact that the background field affects the MRI turbulence, the correlation between the obtained turbulent stress and the magnetic energy in the nonlinear stage is independent of the field topology. Our results indicate that the saturated turbulent stress has a stronger correlation with the power of the perturbed component of the magnetic field than with the power of the total magnetic field. These results suggest that both the intensity and the direction of the background magnetic field significantly affect the turbulent motion of the MRI in accretion disks.

79 ASTRONOMY AND ASTROPHYSICS↗

Evaluation of dual energy quantitative CT for determining the spatial distributions of red marrow and bone for dosimetry in internal emitter radiation therapy

Purpose: To evaluate a three-equation three-unknown dual-energy quantitative CT (DEQCT) technique for determining region specific variations in bone spongiosa composition for improved red marrow dose estimation in radionuclide therapy. Methods: The DEQCT method was applied to 80/140 kVp images of patient-simulating lumbar sectional body phantoms of three sizes (small, medium, and large). External calibration rods of bone, red marrow, and fat-simulating materials were placed beneath the body phantoms. Similar internal calibration inserts were placed at vertebral locations within the body phantoms. Six test inserts of known volume fractions of bone, fat, and red marrow were also scanned. External-to-internal calibration correction factors were derived. The effects of body phantom size, radiation dose, spongiosa region segmentation granularity [single (∼17 × 17 mm) region of interest (ROI), 2 × 2, and 3 × 3 segmentation of that single ROI], and calibration method on the accuracy of the calculated volume fractions of red marrow (cellularity) and trabecular bone were evaluated. Results: For standard low dose DEQCT x-ray technique factors and the internal calibration method, the RMS errors of the estimated volume fractions of red marrow of the test inserts were 1.2–1.3 times greater in the medium body than in the small body phantom and 1.3–1.5 times greater in the large body than in the small body phantom. RMS errors of the calculated volume fractions of red marrow within 2 × 2 segmented subregions of the ROIs were 1.6–1.9 times greater than for no segmentation, and RMS errors for 3 × 3 segmented subregions were 2.3–2.7 times greater than those for no segmentation. Increasing the dose by a factor of 2 reduced the RMS errors of all constituent volume fractions by an average factor of 1.40 ± 0.29 for all segmentation schemes and body phantom sizes; increasing the dose by a factor of 4 reduced those RMS errors by an average factor of 1.71 ± 0.25. Results for external calibrations exhibited much larger RMS errors than size matched internal calibration. Use of an average body size external-to-internal calibration correction factor reduced the errors to closer to those for internal calibration. RMS errors of less than 30% or about 0.01 for the bone and 0.1 for the red marrow volume fractions would likely be satisfactory for human studies. Such accuracies were achieved for 3 × 3 segmentation of 5 mm slice images for: (a) internal calibration with 4 times dose for all size body phantoms, (b) internal calibration with 2 times dose for the small and medium size body phantoms, and (c) corrected external calibration with 4 times dose and all size body phantoms. Conclusions: Phantom studies are promising and demonstrate the potential to use dual energy quantitative CT to estimate the spatial distributions of red marrow and bone within the vertebral spongiosa.

62 RADIOLOGY AND NUCLEAR MEDICINE↗

A finite mixtures algorithm for finding classes in images

The authors describe an algorithm for estimating the proportions of classes in a SAR (synthetic aperture radar) image without any user interaction. The method assumes that the image is a mixture of a known number of different pixel types. A maximum likelihood estimate of the parameters of the resulting mixture distribution is then used to find the proportions for the various classes. The technique was successfully applied to aircraft SAR images of sea ice. Computer simulations were used to determine the relative errors of the technique. The technique performs well even with extremely noisy images.

Samadani, Ramin↗

Evaluation of Techniques for Vegetation Removal from UAV-Based Photogrammetric DSM near WIPP Land Withdrawal Act Boundary, NM

The Waste Isolation Pilot Plant is located within New Mexico's karst landscape and is the United States' only deep geologic radioactive waste repository which isolates transuranic waste from defense activities underground in a bedded salt formation. Characteristic karst topography in this region is made up of material (such as limestone) that can be dissolved by water over a long period of time, and includes features such as springs, surface streams, sinking streams, caves, and sinkholes. Karst features can potentially impact the integrity of the waste repository in the future and compromise WIPP's performance, particularly when coupled with incompatible land-use activities within the Land Withdrawal Act (LWA) boundary as well as increased water withdrawals outside the LWA. In order to better capture the ground surface topography to support hydrology modeling efforts, the U.S. DOE has enlisted FIU to develop a high-resolution digital elevation model (DEM). In a previous field study, a high-resolution digital surface model (DSM) of an adjacent representative site, Basin 6, was developed by photogrammetry using aerial images captured with unmanned aerial vehicles. The DSM generated was based on point clouds representing the entire landscapes, including points of terrain, vegetation and infrastructure. These above-ground features need to be removed to create a DSM/DEM with good representation of the bare ground. In recent years, many techniques including both pre- and post-processing of DSMs, were developed for vegetation removal with varied success. This research focuses on applying and comparing various vegetation removal methods using point clouds generated of the Basin 6 pilot study area. The 3D RGB-based point cloud classification using Python scripts was a modification of the procedure by Themistocleous (2019). The method using Liblas classifies the point cloud three-dimensionally, whereas the method by Themistocleous (2019) is two-dimensional. The preliminary result of the method using Liblas, however, still had a large amount of vegetation remaining compared to the Pix4D Machine Learning method. The vegetation layer remains highly visible in the DEMs processed using the vegetation indices as opposed to the Pix4D Machine Learning method, which produces a DEM where mostly bare ground is seen. Further modifications to the input parameters are required to improve the vegetation vs. bare ground classification using this approach. The next step will be to improve the method using Liblas and to also test other vegetation removal methods found in the literature review to compare them against the two described here.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Four-Dimensional Dose Reconstruction for Scanned Proton Therapy Using Liver 4DCT-MRI

Purpose: Four-dimensional computed tomography-magnetic resonance imaging (4DCT-MRI) is an image-processing technique for simulating many 4DCT data sets from a static reference CT and motions extracted from 4DMRI studies performed using either volunteers or patients. In this work, different motion extraction approaches were tested using 6 liver cases, and a detailed comparison between 4DCT-MRI and 4DCT was performed. Methods and Materials: 4DCT-MRI has been generated using 2 approaches. The first approach used motion extracted from 4DMRI as being “most similar” to that of 4DCT from the same patient (subject-specific), and the second approach used the most similar motion obtained from a motion library derived from 4DMRI liver studies of 13 healthy volunteers (population-based). The resulting 4DCT-MRI and 4DCTs were compared using scanned proton 4D dose calculations (4DDC). Results: Dosimetric analysis showed that 93% ± 8% of points inside the clinical target volume (CTV) agreed between 4DCT and subject-specific 4DCT-MRI (gamma analysis: 3%/3 mm). The population-based approach however showed lower dosimetric agreement with only 79% ± 14% points in the CTV reaching the 3%/3 mm criteria. Conclusions: 4D CT-MRI extends the capabilities of motion modeling for dose calculations by accounting for realistic and variable motion patterns, which can be directly employed in clinical research studies. We have found that the subject-specific liver modeling appears more accurate than the population-based approach. The former is particularly interesting for clinical applications, such as improved target delineation and 4D dose reconstruction for patient-specific QA to allow for inter- and/or intra-fractional plan corrections.

62 RADIOLOGY AND NUCLEAR MEDICINE↗

Imaging surface topography with coherent x-ray reflectivity: Theory, kinematics, and simulations

A theoretical formalism is described for understanding coherent x-ray reflectivity (CXR) from the surface of a semi-infinite crystal having a variable surface topography, described by the height profile ℎ(𝑥,𝑦). The surface topography is imaged as a complex “effective density,” obtained from the phasing and inversion of the coherent x-ray reflectivity data, measured through a rocking scan centered at a vertical momentum transfer 𝑄$^{0}_{𝑧}$ and a vertical range Δ⁢𝑄 𝑧 . The formalism predicts that the effective density has an amplitude with a maximum located at the surface height for each position within the surface plane. The phase of the effective density has a lateral variation that is controlled by the surface height and a vertical variation that reflects a combination of the interfacial structure and specific choice of measurement conditions. This understanding enables direct observation of nanometer-scale interfacial topography, i.e., ℎ⁡(𝑥,𝑦)⁢𝑐 𝑠 (where 𝑐 𝑠 is the vertical substrate lattice parameter) with Å-scale sensitivity to surface height. Numerical simulations illustrate and confirm the theoretical results. These results show how the interpretation of the interfacial density phase obtained by CXR data inversion (i.e., surface topography with respect to a flat surface) is conceptually similar to that previously known for Bragg coherent diffraction imaging (BCDI) measurements of isolated nanoparticles (i.e., lattice displacements with respect to an ideal crystal lattice). This suggests that CXR can be thought of as a form of dark field imaging with respect to the bright field BCDI approach. An implication of these results is that interfacial imaging may bypass some of the significant challenges associated with BCDI imaging of multiple particles having different orientations.

X-ray imaging↗

The impact of mineral reactive surface area variation on simulated mineral reactions and reaction rates

Reactive transport modeling is an essential tool to simulate complex geochemical reactions in porous media that can impact formation properties including porosity and permeability. However, simulating these reactions is challenging due to uncertainties in model parameters, particularly mineral surface areas. Imaging has emerged as a powerful means of estimating model parameters including porosity and mineral abundance, accessibility and accessible surface area. However, these parameters, particularly mineral accessible surface area, vary with image resolution. This work aims to enhance understanding of the impact of image resolution and other means of estimating mineral reactive surface area on simulated mineral reactions and reaction rates. Mineral surface areas calculated from images with resolutions of 0.34 μm and 5.71 μm were used to simulate mineral reactions in the context of geologic CO 2 sequestration in the Paluxy formation at the continuum scale. Additional simulations were carried out using BET surface areas collected from the literature and geometric surface areas. Simulations were run for 7300 days and mineral volume fractions and effluent ion concentrations tracked and compared. Variations in mineral surface areas measured from images are within 1 order of magnitude and yield similar simulation results, indicating the impact of image resolution on simulated reactions and reaction rates is minimum for the resolutions and sample considered. In comparison, surface areas obtained from BET and geometric approaches are 1–4 orders of magnitude higher than image-obtained surface areas and result in greater simulated reaction rates and extents. Minerals with high reaction rates (calcite and siderite) are most impacted by surface area values at short times where simulated mineral volume fractions at longer times agree relatively well, even for simulations with several orders of magnitude variation in surface area. Phases with lower reaction rates, such as K-feldspar and muscovite, are predominantly impacted over longer times where variations in surface areas impact reaction extents and porosity evolution. Overall, variations in surface areas due to image resolution are small and result in little variation in simulated reactions and reaction rates while there are significant variations in simulation results when other surface area estimates are used. These variations, however, depend on the reactivity of the mineral phase where surface areas of fast-reacting phases largely impact simulations at short (hours to days) timescales and surface areas of slower-reactive phases impact longer term simulations (years).

58 GEOSCIENCES↗