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At least 667 records · Page 37
All sourcesNASA NTRSDOE OSTI
DOE OSTI2015

CONSTRUCTING A FLEXIBLE LIKELIHOOD FUNCTION FOR SPECTROSCOPIC INFERENCE

We present a modular, extensible likelihood framework for spectroscopic inference based on synthetic model spectra. The subtraction of an imperfect model from a continuously sampled spectrum introduces covariance between adjacent datapoints (pixels) into the residual spectrum. For the high signal-to-noise data with large spectral range that is commonly employed in stellar astrophysics, that covariant structure can lead to dramatically underestimated parameter uncertainties (and, in some cases, biases). We construct a likelihood function that accounts for the structure of the covariance matrix, utilizing the machinery of Gaussian process kernels. This framework specifically addresses the common problem of mismatches in model spectral line strengths (with respect to data) due to intrinsic model imperfections (e.g., in the atomic/molecular databases or opacity prescriptions) by developing a novel local covariance kernel formalism that identifies and self-consistently downweights pathological spectral line “outliers.” By fitting many spectra in a hierarchical manner, these local kernels provide a mechanism to learn about and build data-driven corrections to synthetic spectral libraries. An open-source software implementation of this approach is available at http://iancze.github.io/Starfish, including a sophisticated probabilistic scheme for spectral interpolation when using model libraries that are sparsely sampled in the stellar parameters. We demonstrate some salient features of the framework by fitting the high-resolution V-band spectrum of WASP-14, an F5 dwarf with a transiting exoplanet, and the moderate-resolution K-band spectrum of Gliese 51, an M5 field dwarf.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2013

Two-dimensional inverse planning and delivery with a preclinical image guided microirradiator

Purpose: Recent advances in preclinical radiotherapy systems have provided the foundation for scaling many of the elements of clinical radiation therapy practice to the dimensions and energy demanded in small animal studies. Such systems support the technical capabilities to accurately deliver highly complex dose distributions, but methods to optimize and deliver such distributions remain in their infancy. This study developed an optimization method based on empirically measured two-dimensional dose kernel measurements to deliver arbitrary planar dose distributions on a recently developed small animal radiotherapy platform.Methods: A two-dimensional dose kernel was measured with repeated radiochromic film measurements for the circular 1 mm diameter fixed collimator of the small animal radiotherapy system at 1 cm depth in a solid water phantom. This kernel was utilized in a sequential quadratic programming optimization framework to determine optimal beam positions and weights to deliver an arbitrary desired dose distribution. The positions and weights were then translated to a set of stage motions to automatically deliver the optimized dose distribution. End-to-end efficacy of the framework was quantified through five repeated deliveries of two dosimetric challenges: (1) a 5 mm radius bullseye distribution, and (2) a “sock” distribution contained within a 9 × 13 mm bounding box incorporating rectangular, semicircular, and exponentially decaying geometric constructs and a rectangular linear dose gradient region. These two challenges were designed to gauge targeting, geometric, and dosimetric fidelity.Results: Optimization of the bullseye and sock distributions required 2.1 and 5.9 min and utilized 50 and 77 individual beams for delivery, respectively. Automated delivery of the resulting optimized distributions, validated using radiochromic film measurements, revealed an average targeting accuracy of 0.32 mm, and a dosimetric delivery error along four line profiles taken through the sock distribution of 3.9%. Mean absolute delivery error across the 0–1 Gy linear dose gradient over 7.5 mm was 0.01 Gy.Conclusions: The work presented here demonstrates the potential for complex dose distributions to be planned and automatically delivered with millimeter scale heterogeneity at submillimeter accuracy. This capability establishes the technical foundation for preclinical validation of biologically guided radiotherapy investigations and development of unique radiobiological experiments.

61 RADIATION PROTECTION AND DOSIMETRY↗
DOE OSTI2014

SU-E-I-17: Comparison of Two Novel Algorithms for the Modulation Transfer Function of CT Using a Simple Cylindrical Phantom

Purpose: To compare and analyze two novel algorithms for the assessment of modulation transfer functions (MTFs) of computed tomography (CT) systems using a simple acrylic cylindrical phantom Method and Materials: Images of the acrylic cylindrical phantom were acquired by a GE LightSpeed 16 RT (GE Healthcare, Milwaukee, WI) using 120 kVp, 330 mA, 2.5 mm slice thickness, 10 cm field-of view (FOV), four reconstruction kernels (e.g. standard, soft, detail, bone, and lung). Two different algorithms were used to analyze images for MTF assessment. First, Richard et al. suggested a task-based MTF assessment method through an edge spread function (ESF) which described pixel intensities as a function of distance from the center. The MTF was obtained as the absolute value of Fourier transform of the differentiated ESF. Second, Ohkubo et al. devised an effective method to determine the point spread function (PSF) of CT system accompanied with verification. The line spread function (LSF), which was the one-dimensional integration of the PSF, was used to obtain the MTF. We validated the reliability of two above-mentioned methods through the comparison with a conventional method using a thin tungsten wire phantom. Results: The measured MTFs by two methods were mostly similar each other for standard, soft, and detail kernels. In 0.6 lp/mm, the MTF difference between two methods were 0.012(standard), 0.004(soft), and 0.037(detail). They also coincided with the MTF by the conventional method well. However, there were considerable distinctions for bone and lung kernels containing edge enhancement that might cause undershoots near the peak of the LSF. Conclusions: We compared two novel methods to assess task-based MTFs for clinical CT systems especially using a simple acrylic cylindrical phantom with high-convenience and low-cost, and validated them against a conventional method. This work can provide a practical solution to users for the quality assurance of CT.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2014

TU-C-BRE-10: A Streamlined Approach to EPID Transit Dosimetry

Purpose: To investigate the feasibility of a simple and efficient transit dosimetry method using the electronic portal imaging device (EPID) for dose delivery error detection and prevention. Methods: In the proposed method, 2D reference transit images are generated for comparison with online images acquired during treatment. Reference transit images are generated by convolving through-air EPID measurements of each field with pixel-specific kernels selected from a library of pre-calculated Monte Carlo pencil kernels of varying radiological thickness. The kernel used for each pixel is selected based on the calculated radiological thickness of the patient along a line joining the pixel and the virtual source. The accuracy of the technique was evaluated in flat homogeneous and heterogeneous plastic water phantoms, a heterogeneous cylindrical phantom, and an anthropomorphic head phantom. Gamma criteria of 3%/3 mm was used to quantify the accuracy of the technique for the various cases. Results: An average of 99.9% and 99.7% of the points in the comparison between the measured and predicted images passed a 3%/3mm gamma for the homogeneous and heterogeneous plastic water phantoms, respectively. 97.1% of the points passed for the analysis of the heterogeneous cylindrical phantom. For the anthropomorphic head phantom, an average of 97.8% of points passed the 3%/3mm gamma criteria for all field sizes. Failures were observed primarily in areas of drastic thickness or material changes and at the edges of the fields. Conclusion: The data suggest that the proposed transit dosimetry method is a feasible approach to in vivo dose monitoring. Future research efforts could include implementation for more complex fields and sensitivity testing of the method to setup errors and changes in anatomy. Oncology Data Systems provided partial funding support but did not participate in the collection or analysis of data.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2015

SU-E-T-31: A Fast Finite Size Pencil Beam (FSPB) Convolution Algorithm for a New Co-60 Arc Therapy Machine

Purpose: Present a fast Finite Size Pencil Beam (FSPB) convolution algorithm for a new Co-60 arc therapy machine. The FSPB algorithm accounts for (i) strong angular divergence (short SAD), (ii) heterogeneity effect for primary attenuation, and (iii) source energy spectrum. Methods: The FSPB algorithm is based on a 0.5×0.5-cm2 dose kernel calculated using the GEPTS (Gamma Electron and Positron Transport System) Monte Carlo code. The dose kernel is tabulated using a thin XYZ mesh (0.1 mm steps in lateral directions) for radius less than 1 cm and using an RZ mesh (with varying steps) for larger radial distance. To account for SSD effect, 11 dose kernels with SSDs varying between 30 cm to 80 cm are calculated. Maynord factor and “lateral stretching” are applied to account for differences between closest and actual SSD. Appropriate rotations and second order interpolation are used to calculate the dose from a given beamlet to a point. Results: Accuracy: Dose distributions in water with 80 cm SSD are calculated using the new FSPB convolution algorithm and full Monte Carlo simulation (gold standard). Figs 1–4 show excellent agreements between FSPB and Monte Carlo calculations for different field sizes and at different depths. The dose distribution for a prostate case is calculated using FSPB (Fig.5). Sixty conformal beams with rectum blocking are assumed. Figs 6–8 show the comparison with Monte Carlo simulation based on the same beam apertures. The excellent agreement demonstrates the accuracy of the new algorithm in handling SSD variation, oblique incidence, and scatter contribution.Speed: The FSPB convolution algorithm calculates 28 million dose points per second using a single 2.2-GHz CPU. The present algorithm is seven times faster than a similar algorithm from Gu et al. (Phys. Med. Biol. 54, 2009, 6287–6297). Conclusion: A fast and accurate FSPB convolution algorithm was developed and benchmarked.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2015

SU-E-T-104: An Examination of Dose in the Buildup and Build-Down Regions

Purpose: To examine dose in the buildup and build-down regions and compare measurements made with various models and dosimeters Methods: Dose was examined in a 30×30cm {sup 2} phantom of water-equivalent plastic with 10cm of backscatter for various field sizes. Examination was performed with radiochromic film and optically-stimulated-luminescent-dosimeter (OSLD) chips, and compared against a plane-parallel chamber with a correction factor applied to approximate the response of an extrapolation chamber. For the build-down region, a correction factor to account for table absorption and chamber orientation in the posterior-anterior direction was applied. The measurement depths used for the film were halfway through their sensitive volumes, and a polynomial best fit curve was used to determine the dose to their surfaces. This chamber was also compared with the dose expected in a clinical kernel-based computer model, and a clinical Boltzmann-transport-equation-based (BTE) computer model. The two models were also compared against each other for cases with air gaps in the buildup region. Results: Within 3mm, all dosimeters and models agreed with the chamber within 10% for all field sizes. At the entrance surface, film differed in comparison with the chamber from +90% to +15%, the BTE-model by +140 to +3%, and the kernel-based model by +20% to −25%, decreasing with increasing field size. At the exit surface, film differed in comparison with the chamber from −10% to −15%, the BTE-model by −53% to −50%, the kernel-based model by −55% to −57%, mostly independent of field size. Conclusion: The largest differences compared with the chamber were found at the surface for all field sizes. Differences decreased with increasing field size and increasing depth in phantom. Air gaps in the buildup region cause dose buildup to occur again post-gap, but the effect decreases with increasing phantom thickness prior to the gap.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2015

MO-F-CAMPUS-I-03: GPU Accelerated Monte Carlo Technique for Fast Concurrent Image and Dose Simulation

Purpose: To develop an accurate and fast Monte Carlo (MC) method of simulating CT that is capable of correlating dose with image quality using voxelized phantoms. Methods: A realistic voxelized phantom based on patient CT data, XCAT, was used with a GPU accelerated MC code for helical MDCT. Simulations were done with both uniform density organs and with textured organs. The organ doses were validated using previous experimentally validated simulations of the same phantom under the same conditions. Images acquired by tracking photons through the phantom with MC require lengthy computation times due to the large number of photon histories necessary for accurate representation of noise. A substantial speed up of the process was attained by using a low number of photon histories with kernel denoising of the projections from the scattered photons. These FBP reconstructed images were validated against those that were acquired in simulations using many photon histories by ensuring a minimal normalized root mean square error. Results: Organ doses simulated in the XCAT phantom are within 10% of the reference values. Corresponding images attained using projection kernel smoothing were attained with 3 orders of magnitude less computation time compared to a reference simulation using many photon histories. Conclusion: Combining GPU acceleration with kernel denoising of scattered photon projections in MC simulations allows organ dose and corresponding image quality to be attained with reasonable accuracy and substantially reduced computation time than is possible with standard simulation approaches.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2015

TU-F-CAMPUS-I-05: Parameterization of the Noise Power Spectrum in X-Ray Computed Tomography

Purpose: The purpose of this work was to develop a method so that the noise power spectrum (NPS) can be approximated for arbitrary levels of mAs, from a single determination in CT. Methods: The NPS is factorized into 2 components, 1) a parameterized function representing the 1D normalized spatial frequency distribution and 2) a function to scale the magnitude of 1) for arbitrary values of mAs. The 1D NPS, normalized by image variance (NNPS), was determined for 2 FBP reconstruction kernels (smoothing and edge enhancing) for 400 mAs. The NNPS were fit to the parameterized function and a scaling function was established to approximate the image variance at arbitrary values of mAs. Using the root mean square error normalized by the maximum value (NRMSE), the NPS approximated with the factorization method was compared to the NPS determined at 5 different mAs levels. Results: The factorization resulted in a set of 7 coefficients that can be used to approximate the 1D NPS, for arbitrary levels of mAs, for the convolution kernels studied in this work. The approximated NPS (factorization) agreed well with the determined NPS for all mAs levels. The greatest NRMSE was 0.02 and was observed for the edge enhancing kernel. Conclusion: The proposed factorization method has been demonstrated as applicable for FBP reconstruction. It can be used to approximate the 1D NPS for arbitrary levels of mAs, from a single NPS determination. Furthermore, approximations of the 1D NPS can conveniently be distributed since the factorization method only used 7 coefficients in the approximation.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2016

Technical Note: Dose gradients and prescription isodose in orthovoltage stereotactic radiosurgery

Purpose: The purpose of this work is to examine the trade-off between prescription isodose and dose gradients in orthovoltage stereotactic radiosurgery. Methods: Point energy deposition kernels (EDKs) describing photon and electron transport were calculated using Monte Carlo methods. EDKs were generated from 10 to 250 keV, in 10 keV increments. The EDKs were converted to pencil beam kernels and used to calculate dose profiles through isocenter from a 4π isotropic delivery from all angles of circularly collimated beams. Monoenergetic beams and an orthovoltage polyenergetic spectrum were analyzed. The dose gradient index (DGI) is the ratio of the 50% prescription isodose volume to the 100% prescription isodose volume and represents a metric by which dose gradients in stereotactic radiosurgery (SRS) may be evaluated. Results: Using the 4π dose profiles calculated using pencil beam kernels, the relationship between DGI and prescription isodose was examined for circular cones ranging from 4 to 18 mm in diameter and monoenergetic photon beams with energies ranging from 20 to 250 keV. Values were found to exist for prescription isodose that optimize DGI. Conclusions: The relationship between DGI and prescription isodose was found to be dependent on both field size and energy. Examining this trade-off is an important consideration for designing optimal SRS systems.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2016

SU-F-J-133: Adaptive Radiation Therapy with a Four-Dimensional Dose Calculation Algorithm That Optimizes Dose Distribution Considering Breathing Motion

Purpose: To model patient motion and produce four-dimensional (4D) optimized dose distributions that consider motion-artifacts in the dose calculation during the treatment planning process. Methods: An algorithm for dose calculation is developed where patient motion is considered in dose calculation at the stage of the treatment planning. First, optimal dose distributions are calculated for the stationary target volume where the dose distributions are optimized considering intensity-modulated radiation therapy (IMRT). Second, a convolution-kernel is produced from the best-fitting curve which matches the motion trajectory of the patient. Third, the motion kernel is deconvolved with the initial dose distribution optimized for the stationary target to produce a dose distribution that is optimized in four-dimensions. This algorithm is tested with measured doses using a mobile phantom that moves with controlled motion patterns. Results: A motion-optimized dose distribution is obtained from the initial dose distribution of the stationary target by deconvolution with the motion-kernel of the mobile target. This motion-optimized dose distribution is equivalent to that optimized for the stationary target using IMRT. The motion-optimized and measured dose distributions are tested with the gamma index with a passing rate of >95% considering 3% dose-difference and 3mm distance-to-agreement. If the dose delivery per beam takes place over several respiratory cycles, then the spread-out of the dose distributions is only dependent on the motion amplitude and not affected by motion frequency and phase. This algorithm is limited to motion amplitudes that are smaller than the length of the target along the direction of motion. Conclusion: An algorithm is developed to optimize dose in 4D. Besides IMRT that provides optimal dose coverage for a stationary target, it extends dose optimization to 4D considering target motion. This algorithm provides alternative to motion management techniques such as beam-gating or breath-holding and has potential applications in adaptive radiation therapy.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2016

SU-F-T-548: An Extraction Method for Correction of Detector Volume Effect in Small Field Profile Measurement

Purpose: To investigate the appropriateness of Gaussian detector response function in SRS profile measurement. Methods: In-air profile data for a 6MV beam were collected by using ionization chambers and radiochromic film. Two ionization chambers (FC65-G(IBA) and PinPoint(PTWTW31009)) were used to scan the beam profile. Film was used to measure the beam penumbra. A half-blocked beam was acquired with stepping size of 0.2mm and gradient of the measured profile represents the detector response function. The field widths of 2cm and 3cm were measured at SAD. Two detector response functions were evaluated, i.e. a traditional single Gaussian and a three-Gaussian symmetric function. Two corresponding models were used to fit measured data. One was error functions with one shaping parameter. The other model was a symmetrical superposition of three sets of error functions with fixed separation and two different shaping parameters. In both fitting, resultant Gaussian kernels and corresponding σs could be calculated analytically. SNR of the fitted curves were obtained and compared. Results: Our measured data indicated that the ionization chambers had a three-peak response function. From the first modeling, SNR for FC65-G were 36.0dB and 38.3dB for 2cm and 3cm field respectively. The corresponding SNR for the PinPoint were 43.6dB and 42.5dB. From the second modeling, SNR for FC65-G were 42.5dB and 47.4dB for 2cm and 3cm field respectively. The corresponding SNR for the PinPoint were 44.0dB and 44.5 dB. Three-gaussian model had an observable improvement for FC65-G chamber. Film measured penumbra was 3–5 times smaller than that of ionization-chambers. Conclusion: Superposition of three Gaussian kernels resembles the detector response due to central electrode and chamber wall and results in a better fitting to the measurement data than a single Gaussian kernel. Our study indicated that the Three-Gaussian model was more suitable for the detector with sigma comparable to penumbra width.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2016

SU-G-206-15: Effects of Dose Reduction On Emphysema Score

Purpose: The purpose of this study was to investigate the effects of reducing radiation dose levels on emphysema scores from lung cancer screening CT exams. Methods: 52 cases were selected from the National Lung Screening Trial (NLST) patients for which we had both the image series and the raw CT data. All scans were acquired with fixed effective mAs (25 for standard-sized patients, 40 for large patients) on a 64-slice scanner (Sensation 64, Siemens Healthcare) using 120kV, 64×0.6mm collimation and pitch 1.0. All images were reconstructed with 1mm slice thickness, B50 kernel. Based on a previously-published technique, we added noise to the raw data to simulate reduced-dose versions at 50% and 25% of the original dose (approximately 1.0- and 0.5-mGy CTDIvol). Lung segmentations were obtained via region growing from manual seed point at a threshold of 600HU followed by manual removal of trachea and major airways. Lung segmentations were only performed on original dose scans, and mapped to simulated reduced-dose scans. Emphysema scores based on relative area of lung with attenuation values lower than −950HU (RA950) were computed for all cases. Results: Average RA950 of all 50 cases were 31.6 (±5.5), 32.5 (±4.9) and 32.8 (±4.6) for 100%, 50% and 25% dose level respectively. The average absolute difference in RA950 between simulated and original dose scans were 1.0 (±0.7) and 1.4 (±1.1) for 50% and 25% dose level respectively. Conclusion: RA950 is relatively robust to dose level, with a difference of no more than 5 from the original dose scans. The average RA950 of this population was high for a two reasons: This was a high risk population of patients with substantial smoking history; The use of B50 kernel, which may be biased towards high emphysema scores. Further exploration with smoother kernels will be conducted in the future. Institutional research agreement, Siemens Healthcare; Past recipient, research grant support, Siemens Healthcare; Consultant, Toshiba America Medical Systems; Consultant, Samsung Electronics; NIH grant support from U01 CA181156.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2016

Patient-specific quantification of image quality: An automated method for measuring spatial resolution in clinical CT images

Purpose: To develop and validate an automated technique for evaluating the spatial resolution characteristics of clinical computed tomography (CT) images. Methods: Twenty one chest and abdominopelvic clinical CT datasets were examined in this study. An algorithm was developed to extract a CT resolution index (RI) analogous to the modulation transfer function from clinical CT images by measuring the edge-spread function (ESF) across the patient’s skin. A polygon mesh of the air-skin boundary was created. The faces of the mesh were then used to measure the ESF across the air-skin interface. The ESF was differentiated to obtain the line-spread function (LSF), and the LSF was Fourier transformed to obtain the RI. The algorithm’s ability to detect the radial dependence of the RI was investigated. RIs measured with the proposed method were compared with a conventional phantom-based method across two reconstruction algorithms (FBP and iterative) using the spatial frequency at 50% RI, f{sub 50}, as the metric for comparison. Three reconstruction kernels were investigated for each reconstruction algorithm. Finally, an observer study was conducted to determine if observers could visually perceive the differences in the measured blurriness of images reconstructed with a given reconstruction method. Results: RI measurements performed with the proposed technique exhibited the expected dependencies on the image reconstruction. The measured f{sub 50} values increased with harder kernels for both FBP and iterative reconstruction. Furthermore, the proposed algorithm was able to detect the radial dependence of the RI. Patient-specific measurements of the RI were comparable to the phantom-based technique, but the patient data exhibited a large spread in the measured f{sub 50}, indicating that some datasets were blurrier than others even when the projection data were reconstructed with the same reconstruction algorithm and kernel. Results from the observer study substantiated this finding. Conclusions: Clinically informed, patient-specific spatial resolution can be measured from clinical datasets. The method is sufficiently sensitive to reflect changes in spatial resolution due to different reconstruction parameters. The method can be applied to automatically assess the spatial resolution of patient images and quantify dependencies that may not be captured in phantom data.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2015

Sorption Modeling and Verification for Off-Gas Treatment

The project has made progress toward developing a comprehensive modeling capability for the capture of target species in off gas evolved during the reprocessing of nuclear fuel. The effort has integrated experimentation, model development, and computer code development for adsorption and absorption processes. For adsorption, a modeling library has been initiated to include (a) equilibrium models for uptake of off-gas components by adsorbents, (b) mass transfer models to describe mass transfer to a particle, diffusion through the pores of the particle and adsorption on the active sites of the particle, and (c) interconnection of these models to fixed bed adsorption modeling which includes advection through the bed. For single-component equilibria, a Generalized Statistical Thermodynamic Adsorption (GSTA) code was developed to represent experimental data from a broad range of isotherm types; this is equivalent to a Langmuir isotherm in the two-parameter case, and was demonstrated for Kr on INL-engineered sorbent HZ PAN, water sorption on molecular sieve A sorbent material (MS3A), and Kr and Xe capture on metal-organic framework (MOF) materials. The GSTA isotherm was extended to multicomponent systems through application of a modified spreading pressure surface activity model and generalized predictive adsorbed solution theory; the result is the capability to estimate multicomponent adsorption equilibria from single-component isotherms. This advance, which enhances the capability to simulate systems related to off-gas treatment, has been demonstrated for a range of real-gas systems in the literature and is ready for testing with data currently being collected for multicomponent systems of interest, including iodine and water on MS3A. A diffusion kinetic model for sorbent pellets involving pore and surface diffusion as well as external mass transfer has been established, and a methodology was developed for determining unknown diffusivity parameters from transient uptake data. Two parallel approaches have been explored for integrating the kernels described above into a mass-transport model for adsorption in fixed beds. In one, the GSTA isotherm kernel has been incorporated into the MOOSE framework; in the other approach, a focused finite-difference framework and PDE kernels have been developed. Issues, including oscillatory behavior in MOOSE solutions to advection-diffusion problems, and opportunities have been identified for each approach, and a path forward has been identified toward developing a stronger modeling platform. Experimental systems were established for collection of microscopic kinetics and equilibria data for single and multicomponent uptake of gaseous species on solid sorbents. The systems, which can operate at ambient temperature to 250°C and dew points from -69 to 17°C, are useful for collecting data needed for modeling performance of sorbents of interest. Experiments were conducted to determine applicable models and parameters for isotherms and mass transfer for water and/or iodine adsorption on MS3A. Validation experiments were also conducted for water adsorption on fixed beds of MS3A. For absorption, work involved modeling with supportive experimentation. A dynamic model was developed to simulate CO 2 absorption with chemical reaction using high alkaline content water solutions. A computer code was developed to implement the model based upon transient mass and energy balances. Experiments were conducted in a laboratory-scale column to determine model parameters. The influence of geometric parameters and operating variables on CO 2 absorption was studied over a wide range of conditions. This project has resulted in 7 publications, with 3 manuscripts in preparation. Also, 15 presentations were given at national meetings of ANS and AIChE and at Material Recovery and Waste Forms Campaign Working Group meetings.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2020

A Case Study on the HACCmk Routine in SYCL on Integrated Graphics

As opposed to the Open Computing Language (OpenCL) programming model in which host and device codes are generally written in different languages, the SYCL programming model can combine host and device codes for an application in a type-safe way to improve development productivity. In this paper, we chose the HACCmk routine, a representative compute-bound kernel, as a case study on the performance of the SYCL programming model targeting a heterogeneous computing device. More specifically, we introduced the SYCL programming model, presented the OpenCL and SYCL implementations of the routine, and compared the performance of the two implementations using the offline and online compilation on Intel (R) Iris (TM) Pro integrated GPUs. We found that the overhead of online compilation may become significant compared to the execution time of a kernel. Compared to the performance of OpenCL implementations, the SYCL implementation can maintain the performance using the offline compilation. The number of execution units in a GPU are critical to improving the raw performance of a compute-bound kernel.

Compilation modes↗
DOE OSTI2013

Head-end process for the reprocessing of HTGR spent fuel

The reprocessing of HTGR spent fuels is in favor of the sustainable development of nuclear energy to realize the maximal use of nuclear resource and the minimum disposal of nuclear waste. The head-end of HTGR spent fuels reprocessing is different from that of the LWR spent fuels reprocessing because of the difference of spent fuel structure. The dismantling of the graphite spent fuel element and the highly effective dissolution of fuel kernel is the most difficult process in the head end of the reprocessing. Recently, some work on the head-end has been done in China. First, the electrochemical method with nitrate salt as electrolyte was studied to disintegrate the graphite matrix from HTGR fuel elements and release the coated fuel particles, to provide an option for the head-end technology of reprocessing. The results show that the graphite matrix can be effectively separated from the coated particle without any damage to the SiC layer. Secondly, the microwave-assisted heating was applied to dissolve the UO{sub 2} kernel from the crashed coated fuel particles. The ceramic UO{sub 2} as the solute has a good ability to absorb the microwave energy. The results of UO{sub 2} kernel dissolution from crushed coated particles by microwave heating show that the total dissolution percentage of UO{sub 2} is more than 99.99% after 3 times cross-flow dissolution with the following parameters: 8 mol/L HNO{sub 3}, temperature 100 Celsius degrees, initial ratio of solid to liquid 1.2 g/ml. (authors)

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2024

Image-Based Digital Twin for Assessing the Coupled Electro-Chemo-Mechanical Behavior of Li-Ion Batteries

In energy storage materials, strong electrochemical-mechanical coupling and highly anisotropic material properties contribute to the formation and propagation of micro-cracking during charge/discharge cycling, resulting in reduced performance and service life. In this work, a digital twin is created to investigate the performance of a Li-ion battery cathode and simulate degradation accumulation. Pixel-based model construction is used to represent the complex material geometries from microstructural images supplied by the National Renewable Energy Laboratory (NREL). Because of the expected large deformation and crack opening, the reproducing kernel particle method (RKPM), a meshfree method with discretization at the image pixels, is used to approximate the field variables: electrostatic potential, concentration, and displacement. An interface modified reproducing kernel (IM-RK) is constructed by scaling a smooth kernel function with an interface-distance function to achieve strategic discontinuity types (i.e. weak discontinuities for strain discontinuities and strong discontinuities for cracks) and alleviate Gibbs oscillations near these transition zones. The discrete nature of the images' pixel points is employed throughout the model and approximation construction. The mechanical model is verified using an image-based microstructure under tensile loading. A transient electro-chemo-mechanical coupled simulation is performed to evaluate the potential micro-cracking induced degradation of the battery cathode material subjected to charge/discharge cycling.

battery degradation↗
DOE OSTI2024

Image-Based Failure Assessment of Li-Ion Batteries

In energy storage materials, strong electrochemical-mechanical coupling and highly anisotropic material properties contribute to the formation and propagation of micro-cracking during charge/discharge cycling, resulting in reduced performance and service life. In this work, a digital twin is created to investigate the performance of a heterogeneous Li-ion battery cathode and simulate degradation accumulation. Pixel-based model construction is used to represent the complex material geometries from microstructural images supplied by the National Renewable Energy Laboratory (NREL). Because of the expected large deformation and crack opening, the reproducing kernel particle method (RKPM), a meshfree method with discretization at the image pixels, is used to approximate the field variables: electrostatic potential, concentration, and displacement. An interface modified reproducing kernel (IM-RK) is constructed by scaling a smooth kernel function with an interface-distance function to achieve strategic discontinuity types (i.e. weak discontinuities for strain discontinuities and strong discontinuities for cracks) and alleviate Gibbs oscillations near these transition zones. Applications to the heterogeneous microstructures of Li-ion battery cathodes will be presented to demonstrate the effectiveness of the proposed methods. IM-RK is additionally used to inform how crack evolution in turn affects the coupled electro-chemo-mechanical behavior of the Li-ion battery cathode.

image-based modeling↗