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DOE OSTI2019

SPIND : a reference-based auto-indexing algorithm for sparse serial crystallography data

SPIND (sparse-pattern indexing) is an auto-indexing algorithm for sparse snapshot diffraction patterns (`stills') that requires the positions of only five Bragg peaks in a single pattern, when provided with unit-cell parameters. The capability of SPIND is demonstrated for the orientation determination of sparse diffraction patterns using simulated data from microcrystals of a small inorganic molecule containing three iodines, 5-amino-2,4,6-triiodoisophthalic acid monohydrate (I3C) [Beck & Sheldrick (2008), Acta Cryst. E 64 , o1286], which is challenging for commonly used indexing algorithms. SPIND , integrated with CrystFEL [White et al. (2012), J. Appl. Cryst. 45 , 335–341], is then shown to improve the indexing rate and quality of merged serial femtosecond crystallography data from two membrane proteins, the human δ-opioid receptor in complex with a bi-functional peptide ligand DIPP-NH 2 and the NTQ chloride-pumping rhodopsin (CIR). The study demonstrates the suitability of SPIND for indexing sparse inorganic crystal data with smaller unit cells, and for improving the quality of serial femtosecond protein crystallography data, significantly reducing the amount of sample and beam time required by making better use of limited data sets. SPIND is written in Python and is publicly available under the GNU General Public License from https://github.com/LiuLab-CSRC/SPIND.

36 MATERIALS SCIENCE↗

DOE OSTI2018

A numerical method for deriving shape functions of nanoparticles for pair distribution function refinements

We report that in the structural refinement of nanoparticles, discrete atomistic modeling can be used for small nanocrystals (< 15 nm), but becomes computationally unfeasible at larger sizes, where instead unit-cell-based small-box modeling is usually employed. However, the effect of the nanocrystal's shape is often ignored or accounted for with a spherical model regardless of the actual shape due to the complexities of solving and implementing accurate shape effects. Recent advancements have provided a way to determine the shape function directly from a pair distribution function calculated from a discrete atomistic model of any given shape, including both regular polyhedra (e.g. cubes, spheres, octahedra) and anisotropic shapes (e.g. rods, discs, ellipsoids) [Olds et al. (2015). J. Appl. Cryst. 48, 1651–1659], although this approach is still limited to small size regimes due to computational demands. In order to accurately account for the effects of nanoparticle size and shape in small-box refinements, a numerical or analytical description is needed. This article presents a methodology to derive numerical approximations of nanoparticle shape functions by fitting to a training set of known shape functions; the numerical approximations can then be employed on larger sizes yielding a more accurate and physically meaningful refined nanoparticle size. Lastly, the method is demonstrated on a series of simulated and real data sets, and a table of pre-calculated shape function expressions for a selection of common shapes is provided.

36 MATERIALS SCIENCE↗

DOE OSTI2017

Conductor Specification and Validation for High-Luminosity LHC Quadrupole Magnets

The High Luminosity Upgrade of the Large Hadron Collider (HL-LHC) at CERN will replace the main ring inner triplet quadrupoles, identified by the acronym MQXF, adjacent to the main ring intersection regions. For the past decade, the U.S. LHC Accelerator R&D Program, LARP, has been evaluating conductors for the MQXFA prototypes, which are the outer magnets of the triplet. Recently, the requirements for MQXF magnets and cables have been published in P. Ferracin et al., IEEE Trans. Appl. Supercond., vol. 26, no. 4, 2016, Art. no.4000207, along with the final specification for Ti-alloyed Nb3Sn conductor determined jointly by CERN and LARP. This paper describes the rationale beneath the 0.85 mm diameter strand’s chief parameters, which are 108 or more sub-elements, a copper fraction not less than 52.4%, strand critical current at 4.22 K not less than 631 A at 12 T and 331 A at 15 T, and residual resistance ratio of not less than 150. This paper also compares the performance for ~100 km production lots of the five most recent LARP conductors to the first 163 km of strand made according to the HL-LHC specification. Two factors emerge as significant for optimizing performance and minimizing risk: a modest increase of the sub-element diameter from 50 to 55 μm, and a Nb:Sn molar ratio of 3.6 instead of 3.4. Furthermore, the statistics acquired so far give confidence that the present conductor can balance competing demands in production for the HL-LHC project.

43 PARTICLE ACCELERATORS↗

DOE OSTI2022

Phasing Magnet for CSX-2 Beamline at NSLS-II

A phasing magnet has been developed at National Synchrotron Light Source II (NSLS-II) for the Coherent Soft X-ray Scattering (CSX) beamline. The phasing magnet will be located at the center of the straight section in between two identical and independent variably polarized APPLE-II devices. Based on Permanent Magnet technology, the phasing magnet has been designed to achieve the required electron beam delay to properly adjust the phase matching of these two consecutive EPUs (Elliptically Polarizing Undulators) and ensure a positive interference between the photon beam emitted in each device. Also this paper will describe the mechanical and magnetic design together with the final field measurements and magnetic tuning results. Also, the spectral performance of the two EPUs and the method used to properly set the field strength of the phasing magnet for any given radiation wavelength and polarization mode will be presented as well.

36 MATERIALS SCIENCE↗

DOE OSTI2022

Automatic Generation of High-Performance Convolution Kernels on ARM CPUs for Deep Learning

In this work, we present FastConv, a template-based code auto-generation open source library that can automatically generate high-performance deep learning convolution kernels of arbitrary matrices/tensors shapes. FastConv is based on the Winograd algorithm, which is reportedly the highest performing algorithm for the time-consuming convolution layers of convolutional neural networks. ARM CPUs cover a wide range designs and specifications, from embedded devices to HPC-grade CPUs. The leads to the dilemma of how to consistently optimize Winograd-based convolution solvers for convolution layers of different shapes. FastConv addresses this problem by using templates to auto-generate multiple shapes of tuned kernels variants suitable for skinny tall matrices. As a performance portable library, FastConv transparently searches for the best combination of kernel shapes, cache tiles, scheduling of loop orders, packing strategies, access patterns, and online/offline computations. Auto-tuning is used to search the parameter configuration space for the best performance for a given target architecture and problem size. The experiments with layer-wise evaluation on the VGG--16 model confirms a 1.25x performance gains is got by tuning the Winograd library. Integrated comparison results shows 1.02x to 1.40x, 1.14x to 2.17x, and 1.22x and 2.48x speedup is achieved over NNPACK, Arm NN, and FeatherCNN on the Kunpeng 920 beside few cases. Furthermore, problem size performance portability experiments with various convolution shapes shows that FastConv achieves 1.2x to 1.7x speedup and 2x to 22x speedup over NNPACK and ARM NN inference engine using Winograd on Kunpeng 920 . CPU performance portability evaluation on the VGG--16 show an average speedup over NNPACK of 1.42x, 1.21x, 1.26x, 1.37x, 2.26x, and 11.02x is observed on Kunpeng 920, Snapdragon 835, 855, 888, Apple M1, and AWS Graviton2, respectively.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2016

Sensory effect of acetaldehyde on the perception of 3-mercaptohexan-1-ol and 3-isobutyl-2-methoxypyrazine: Role of acetaldehyde in sensory interactions

Background and Aims-Wine aroma is influenced by complex interactions between various wine constituents. This study investigated the sensory interactive effects of Sauvignon Blanc impact compounds, 3-mercaptohexan-1-ol and 3-isobutyl-2-methoxypyrazine, with acetaldehyde that typically forms during the oxidation of wine. Methods and Results-Spiked model wines were subjected to sensory descriptive analysis using a trained sensory panel. Additionally, the concentration of each compound varied from below aroma threshold values to high values as reported for wine. Depending on the concentration, acetaldehyde enhanced fruity attributes at a lower concentration, whereas suppression occurred at a higher concentration. Acetaldehyde effectively suppressed the green pepper aroma attribute at certain concentration values, whereas 3-mercaptohexan-1-ol suppressed oxidised green apple associated with acetaldehyde. Changes in attributes used for aroma description also occurred because of change in concentration. Conclusions-Complex sensory interactions may occur between Sauvignon Blanc impact compounds and one of the main oxidation-derived compounds, acetaldehyde. Acetaldehyde can enhance or suppress pleasant fruity characters depending on the concentration. Significance of the Study-This study showed the potential positive effect of acetaldehyde on white wine aroma when present at a low concentration. Formation of this compound during winemaking and ageing should, however, be controlled because of negative sensory interactions occurring at a higher concentration. In conclusion, this study may also contribute to the sensory characterisation of Sauvignon Blanc wine undergoing oxidation.

3-isobutyl-2-methoxypyrazine↗

DOE OSTI2019

Addition of terpenoids to pear ester plus acetic acid increases catches of codling moth (Lepidoptera: Tortricidae)

Abstract Field studies were conducted to evaluate new kairomone blends in combination with pear ester ( E,Z )‐2,4‐ethyl decadienoate (PE) and acetic acid (AA) for their attraction of male and female codling moth, Cydia pomonella (L.), in apple, Malus domestica Borkhausen. The addition of decanal to either AA or PE alone significantly increased total and female moth catches. However, the addition of decanal did not improve the attraction of PE + AA. The addition of either the pyranoid (PyrLOX) or furanoid (FurLOX) linalool oxide but not linalool (LOL) increased moth catches with PE but did not increase catches with PE + AA. Similarly, the addition of PyrLOX plus decanal did not improve PE + AA. The addition of ( E )‐4,8‐dimethyl‐1,3,7‐nonatriene (DMNT) to either AA, PE + AA or PE + AA+decanal did not significantly increase moth catches. However, the addition of PyrLOX to traps with PE + AA and DMNT (4‐component lure) significantly increased moth catches compared with PE + AA alone or any of the ternary blends of these volatiles. Females accounted for 60%–80% of the total catch with this 4‐component lure. The 4‐component blend with PyrLOX was a more attractive lure than similar blends that substituted LOL, or a binary blend of LOL and FurLOX for PyrLOX. The 4‐component blend caught nearly fourfold more total and female moths than the purported attractant N‐butyl sulphide when it was used in combination with PE + AA. These results indicate that significant improvements in monitoring, mating disruption and mass trapping of codling moth are possible. Further studies are needed to assess the new attractive blend's effectiveness in combination with sex pheromone lures and to evaluate whether other host plant volatiles can be added or substitute for DMNT or LOX when used in combination with PE + AA.

Knight, Alan L.↗

DOE OSTI2024

Identification of glycosyltransferases mediating 2‐ O ‐arabinopyranosyl and 2‐ O ‐galactosyl substitutions of glucuronosyl side chains of xylan

SUMMARY Xylan is one of the major hemicelluloses in plant cell walls and its xylosyl backbone is often decorated at O ‐2 with glucuronic acid (GlcA) and/or methylglucuronic acid (MeGlcA) residues. The GlcA/MeGlcA side chains may be further substituted with 2‐ O ‐arabinopyranose (Ara p ) or 2‐ O ‐galactopyranose (Gal) residues in some plant species, but the enzymes responsible for these substitutions remain unknown. During our endeavor to investigate the enzymatic activities of Arabidopsis MUR3‐clade members of the GT47 glycosyltransferase family, we found that one of them was able to transfer Ara p from UDP‐Ara p onto O ‐2 of GlcA side chains of xylan, and thus it was named xylan 2‐ O ‐arabinopyranosyltransferase 1 (AtXAPT1). The function of AtXAPT1 was verified in planta by its T‐DNA knockout mutation showing a loss of the Ara p substitution on xylan GlcA side chains. Further biochemical characterization of XAPT close homologs from other plant species demonstrated that while the poplar ones had the same catalytic activity as AtXAPT1, those from Eucalyptus , lemon‐scented gum, sea apple, 'Ohi'a lehua, duckweed and purple yam were capable of catalyzing both 2‐ O ‐Ara p and 2‐ O ‐Gal substitutions of xylan GlcA side chains albeit with differential activities. Sequential reactions with XAPTs and glucuronoxylan methyltransferase 3 (GXM3) showed that XAPTs acted poorly on MeGlcA side chains, whereas GXM3 could efficiently methylate arabinosylated or galactosylated GlcA side chains of xylan. Furthermore, molecular docking and site‐directed mutagenesis analyses of Eucalyptus XAPT1 revealed critical roles of several amino acid residues at the putative active site in its activity. Together, these findings establish that XAPTs residing in the MUR3 clade of family GT47 are responsible for 2‐ O ‐arabinopyranosylation and 2‐ O ‐galactosylation of GlcA side chains of xylan.

Zhong, Ruiqin↗

DOE OSTI2016

Superconducting NbTiN thin films for superconducting radio frequency accelerator cavity applications

Current superconducting radio frequency technology, used in various particle accelerator facilities across the world, is reliant upon bulk niobium superconducting cavities. Due to technological advancements in the processing of bulk Nb cavities, the facilities have reached accelerating fields very close to a material-dependent limit, which is close to 50 MV/m for bulk Nb. One possible solution to improve upon this fundamental limitation was proposed a few years ago by Gurevich [Appl. Phys. Lett. 88, 012511 (2006)], consisting of the deposition of alternating thin layers of superconducting and insulating materials on the interior surface of the cavities. The use of type-II superconductors with Tc > Tc Nb and H c > HcNb, (e.g., Nb 3 Sn, NbN, or NbTiN) could potentially greatly reduce the surface resistance (Rs) and enhance the accelerating field, if the onset of vortex penetration is increased above Hc Nb , thus enabling higher field gradients. Although Nb 3 Sn may prove superior, it is not clear that it can be grown as a suitable thin film for the proposed multilayer approach, since very high temperature is typically required for its growth, hindering achieving smooth interfaces and/or surfaces. On the other hand, since NbTiN has a smaller lower critical field (H c1 ) and higher critical temperature (T c ) than Nb and increased conductivity compared to NbN, it is a promising candidate material for this new scheme. Here, the authors present experimental results correlating filmmicrostructure with superconducting properties on NbTiN thin film coupon samples while also comparing filmsgrown with targets of different stoichiometry. In conclusion, it is worth mentioning that the authors have achieved thin films with bulk-like lattice parameter and transition temperature while also achieving H c1 values larger than bulk for films thinner than their London penetration depths.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2022

Molecular dynamics study of silicon atomic layer etching by chlorine gas and argon ions

Classical molecular dynamics (MD) is used to simulate atomic layer etching processes of silicon by alternating exposure to chlorine gas and argon ions. In order to validate our model, a rigorous comparison is done with ion beam experiments found in the literature [Park et al., Jpn. J. Appl. Phys. 44, 389 (2005)]. Here it is shown that the etch per cycle (EPC) as a function of argon ion energy from simulations is in quantitative agreement with experimental results if the correct argon ion fluence is used in the simulations. The EPC as a function of ion irradiation time and amount of chlorine exposure also show good agreement with the experiment. The MD simulations also show the formation of an amorphous silicon region with chlorine atoms mixed uniformly throughout following ion bombardment. Finally, the etch products during the ion irradiation step are analyzed and discussed.

74 ATOMIC AND MOLECULAR PHYSICS↗

DOE OSTI2013

Weighted simultaneous algebraic reconstruction technique for tomosynthesis imaging of objects with high-attenuation features

Purpose: This paper introduces a nonlinear weighting scheme into the backprojection operation within the simultaneous algebraic reconstruction technique (SART). It is designed for tomosynthesis imaging of objects with high-attenuation features in order to reduce limited angle artifacts. Methods: The algorithm estimates which projections potentially produce artifacts in a voxel. The contribution of those projections into the updating term is reduced. In order to identify those projections automatically, a four-dimensional backprojected space representation is used. Weighting coefficients are calculated based on a dissimilarity measure, evaluated in this space. For each combination of an angular view direction and a voxel position an individual weighting coefficient for the updating term is calculated. Results: The feasibility of the proposed approach is shown based on reconstructions of the following real three-dimensional tomosynthesis datasets: a mammography quality phantom, an apple with metal needles, a dried finger bone in water, and a human hand. Datasets have been acquired with a Siemens Mammomat Inspiration tomosynthesis device and reconstructed using SART with and without suggested weighting. Out-of-focus artifacts are described using line profiles and measured using standard deviation (STD) in the plane and below the plane which contains artifact-causing features. Artifacts distribution in axial direction is measured using an artifact spread function (ASF). The volumes reconstructed with the weighting scheme demonstrate the reduction of out-of-focus artifacts, lower STD (meaning reduction of artifacts), and narrower ASF compared to nonweighted SART reconstruction. It is achieved successfully for different kinds of structures: point-like structures such as phantom features, long structures such as metal needles, and fine structures such as trabecular bone structures. Conclusions: Results indicate the feasibility of the proposed algorithm to reduce typical tomosynthesis artifacts produced by high-attenuation features. The proposed algorithm assigns weighting coefficients automatically and no segmentation or tissue-classification steps are required. The algorithm can be included into various iterative reconstruction algorithms with an additive updating strategy. It can also be extended to computed tomography case with the complete set of angular data.

60 APPLIED LIFE SCIENCES↗

DOE OSTI2013

Calculations of two new dose metrics proposed by AAPM Task Group 111 using the measurements with standard CT dosimetry phantoms

Purpose: AAPM Task Group 111 proposed to measure the equilibrium dose-pitch product D-caret{sub eq} for scan modes involving table translation and the midpoint dose D{sub L}(0) for stationary-table modes on the central and peripheral axes of sufficiently long (e.g., at least 40 cm) phantoms. This paper presents an alternative approach to calculate both metrics using the measurements of scanning the standard computed tomographic (CT) dosimetry phantoms on CT scanners.Methods: D-caret{sub eq} was calculated from CTDI{sub 100} and ε(CTDI{sub 100}) (CTDI{sub 100} efficiency), and D{sub L}(0) was calculated from D-caret{sub eq} and the approach to equilibrium function H(L) =D{sub L}(0)/D{sub eq}, where D{sub eq} was the equilibrium dose. CTDI{sub 100} may be directly obtained from several sources (such as medical physicist's CT scanner performance evaluation or the IMPACT CT patient dosimetry calculator), or be derived from CTDI{sub Vol} using the central to peripheral CTDI{sub 100} ratio (R{sub 100}). The authors have provided the required ε(CTDI{sub 100}) and H(L) data in two previous papers [X. Li, D. Zhang, and B. Liu, Med. Phys. 39, 901–905 (2012); and ibid. 40, 031903 (10pp.) (2013)]. R{sub 100} was assessed for a series of GE, Siemens, Philips, and Toshiba CT scanners with multiple settings of scan field of view, tube voltage, and bowtie filter.Results: The calculated D{sub L}(0) and D{sub L}(0)/D{sub eq} in PMMA and water cylinders were consistent with the measurements on two GE CT scanners (LightSpeed 16 and VCT) by Dixon and Ballard [Med. Phys. 34, 3399–3413 (2007)], the measurements on a Siemens CT scanner (SOMATOM Spirit Power) by Descamps et al. [J. Appl. Clin. Med. Phys. 13, 293–302 (2012)], and the Monte Carlo simulations by Boone [Med. Phys. 36, 4547–4554 (2009)].Conclusions: D-caret{sub eq} and D{sub L}(0) can be calculated using the alternative approach. The authors have provided the required ε(CTDI{sub 100}) and H(L) data in two previous papers. R{sub 100} is presented for a majority of multidetector CT scanners currently on the market, and can be easily assessed for other CT scanners or operating conditions not covered in this study. The central to peripheral D{sub eq} ratio is about 1.50 and 1.12 times of R{sub 100} for the 32- and 16-cm diameter PMMA phantom, respectively.

61 RADIATION PROTECTION AND DOSIMETRY↗

DOE OSTI2013

A parameterization method and application in breast tomosynthesis dosimetry

Purpose: To present a parameterization method based on singular value decomposition (SVD), and to provide analytical parameterization of the mean glandular dose (MGD) conversion factors from eight references for evaluating breast tomosynthesis dose in the Mammography Quality Standards Act (MQSA) protocol and in the UK, European, and IAEA dosimetry protocols.Methods: MGD conversion factor is usually listed in lookup tables for the factors such as beam quality, breast thickness, breast glandularity, and projection angle. The authors analyzed multiple sets of MGD conversion factors from the Hologic Selenia Dimensions quality control manual and seven previous papers. Each data set was parameterized using a one- to three-dimensional polynomial function of 2–16 terms. Variable substitution was used to improve accuracy. A least-squares fit was conducted using the SVD.Results: The differences between the originally tabulated MGD conversion factors and the results computed using the parameterization algorithms were (a) 0.08%–0.18% on average and 1.31% maximum for the Selenia Dimensions quality control manual, (b) 0.09%–0.66% on average and 2.97% maximum for the published data by Dance et al. [Phys. Med. Biol. 35, 1211–1219 (1990); ibid. 45, 3225–3240 (2000); ibid. 54, 4361–4372 (2009); ibid. 56, 453–471 (2011)], (c) 0.74%–0.99% on average and 3.94% maximum for the published data by Sechopoulos et al. [Med. Phys. 34, 221–232 (2007); J. Appl. Clin. Med. Phys. 9, 161–171 (2008)], and (d) 0.66%–1.33% on average and 2.72% maximum for the published data by Feng and Sechopoulos [Radiology 263, 35–42 (2012)], excluding one sample in (d) that does not follow the trends in the published data table.Conclusions: A flexible parameterization method is presented in this paper, and was applied to breast tomosynthesis dosimetry. The resultant data offer easy and accurate computations of MGD conversion factors for evaluating mean glandular breast dose in the MQSA protocol and in the UK, European, and IAEA dosimetry protocols. Microsoft Excel™ spreadsheets are provided for the convenience of readers.

61 RADIATION PROTECTION AND DOSIMETRY↗

DOE OSTI2014

SU-E-T-275: Radiobiological Evaluation of Intensity Modulated Radiotherapy Treatment for Locally Advanced Head and Neck Squamous Cell Carcinomas

Purpose: To evaluate the radiobiological outcome of Intensity Modulated Radiotherapy Treatment (IMRT) for locally advanced head and neck squamous cell carcinomas using HART (Histogram Analysis in Radiation Therapy; J Appl Clin Med Phys 11(1): 137–157, 2010) program and compare with the clinical outcomes. Methods: We have treated 20 patients of stage III and IV HNSCC Oropharynx and hypopharynx with accelerated IMRT technique and concurrent chemotherapy. Delineation of tumor and normal tissues were done using Danish Head and Neck Cancer Group (DAHANCA) contouring guidelines and radiotherapy was delivered to a dose of 70Gy in 35 fractions to the primary and involved lymph nodes, 63Gy to intermediate risk areas and 56 Gy to lower risk areas, Monday to Saturday, 6 Days/week using 6 MV Photons with an expected overall treatment time of 6 weeks. The TCP and NTCP's were calculated from the dose-volume histogram (DVH) statistics using the Poisson Statistics (PS) and JT Lyman models respectively and the Resultwas correlated with clinical outcomes of the patients with mean follow up of 24 months. Results: Using HART program, the TCP (0.89± 0.01) of primary tumor and the NTCP for parotids (0.20±0.12), spinal cord (0.05±0.01), esophagus (0.30±0.2), mandible (0.35±0.21), Oral cavity (0.37±0.18), Larynx (0.30±0.15) were estimated and correlated with clinical outcome of the patients. Conclusion: Accelerated IMRT with Chemotherapy is a clinical feasible option in the treatment of locally advanced HNSCC with encouraging initial tumour response and acceptable acute toxicities. The correlation between the clinical outcomes and radiobiological model estimated parameters using HART programs are found to be satisfactory.

60 APPLIED LIFE SCIENCES↗

DOE OSTI2015

SU-E-J-69: Iterative Deconvolution of the Initial Photon Fluence for EPID Dosimetry: A Monte Carlo Based Study

Purpose: Developing a fast and accurate calculation model to reconstruct the applied photon fluence from an external photon radiation therapy treatment based on an image recorded by an electronic portal image device (EPID). Methods: To reconstruct the initial photon fluence the 2D EPID image was corrected for scatter from the patient/phantom and EPID to generate the transmitted primary photon fluence. This was done by an iterative deconvolution using precalculated point spread functions (PSF). The transmitted primary photon fluence was then backprojected through the patient/phantom geometry considering linear attenuation to receive the initial photon fluence applied for the treatment.The calculation model was verified using Monte Carlo simulations performed with the EGSnrc code system. EPID images were produced by calculating the dose deposition in the EPID from a 6 MV photon beam irradiating a water phantom with air and bone inhomogeneities and the ICRP anthropomorphic voxel phantom. Results: The initial photon fluence was reconstructed using a single PSF and position dependent PSFs which depend on the radiological thickness of the irradiated object. Appling position dependent point spread functions the mean uncertainty of the reconstructed initial photon fluence could be reduced from 1.13 % to 0.13 %. Conclusion: This study presents a calculation model for fluence reconstruction from EPID images. The{sup Result} show a clear advantage when position dependent PSF are used for the iterative reconstruction. The basic work of a reconstruction method was established and further evaluations must be made in an experimental study.

60 APPLIED LIFE SCIENCES↗

DOE OSTI2015

SU-F-BRA-16: Development of a Radiation Monitoring Device Using a Low-Cost CCD Camera Following Radionuclide Therapy

Purpose: It is now commonplace to handle treatments of hyperthyroidism using iodine-131 as an outpatient procedure due to lower costs and less stringent federal regulations. The Nuclear Regulatory Commission has currently updated release guidelines for these procedures, but there is still a large uncertainty in the dose to the public. Current guidelines to minimize dose to the public require patients to remain isolated after treatment. The purpose of this study was to use a low-cost common device, such as a cell phone, to estimate exposure emitted from a patient to the general public. Methods: Measurements were performed using an Apple iPhone 3GS and a Cs-137 irradiator. The charge-coupled device (CCD) camera on the phone was irradiated to exposure rates ranging from 0.1 mR/hr to 100 mR/hr and 30-sec videos were taken during irradiation with the camera lens covered by electrical tape. Interactions were detected as white pixels on a black background in each video. Both single threshold (ST) and colony counting (CC) methods were performed using MATLAB®. Calibration curves were determined by comparing the total pixel intensity output from each method to the known exposure rate. Results: The calibration curve showed a linear relationship above 5 mR/hr for both analysis techniques. The number of events counted per unit exposure rate within the linear region was 19.5 ± 0.7 events/mR and 8.9 ± 0.4 events/mR for the ST and CC methods respectively. Conclusion: Two algorithms were developed and show a linear relationship between photons detected by a CCD camera and low exposure rates, in the range of 5 mR/hr to 100-mR/hr. Future work aims to refine this model by investigating the dose-rate and energy dependencies of the camera response. This algorithm allows for quantitative monitoring of exposure from patients treated with iodine-131 using a simple device outside of the hospital.

60 APPLIED LIFE SCIENCES↗

DOE OSTI2014

Amplify scientific discovery with artificial intelligence

Computing innovations have fundamentally changed many aspects of scientific inquiry. For example, advances in robotics, high-end computing, networking, and databases now underlie much of what we do in science such as gene sequencing, general number crunching, sharing information between scientists, and analyzing large amounts of data. As computing has evolved at a rapid pace, so too has its impact in science, with the most recent computing innovations repeatedly being brought to bear to facilitate new forms of inquiry. Recently, advances in Artificial Intelligence (AI) have deeply penetrated many consumer sectors, including for example Apple’s Siri™ speech recognition system, real-time automated language translation services, and a new generation of self-driving cars and self-navigating drones. However, AI has yet to achieve comparable levels of penetration in scientific inquiry, despite its tremendous potential in aiding computers to help scientists tackle tasks that require scientific reasoning. We contend that advances in AI will transform the practice of science as we are increasingly able to effectively and jointly harness human and machine intelligence in the pursuit of major scientific challenges.

artificial intelligence↗

DOE OSTI2014

An Adaptive Shifted Power Method for Computing Generalized Tensor Eigenpairs

Several tensor eigenpair definitions have been put forth in the past decade, but these can all be unified under generalized tensor eigenpair framework, introduced by Chang, Pearson, and Zhang [J. Math. Anal. Appl., 350 (2009), pp. 416--422]. Given mth-order, n-dimensional real-valued symmetric tensors ${\mathscr{A}}$ and $\boldsymbol{\mathscr{B}}$, the goal is to find $\lambda \in \mathbb{R}$ and $\mathbf{x} \in \mathbb{R}^{n}, \mathbf{x} \neq 0$ such that ${\mathscr{A}}\mathbf{x}^{m-1} = \lambda {\mathscr{B}}\mathbf{x}^{m-1}$. Different choices for ${\mathscr{B}}$ yield different versions of the tensor eigenvalue problem. We present our generalized eigenproblem adaptive power (GEAP) method for solving the problem, which is an extension of the shifted symmetric higher-order power method (SS-HOPM) for finding Z-eigenpairs. A major drawback of SS-HOPM is that its performance depended on choosing an appropriate shift, but our GEAP method also includes an adaptive method for choosing the shift automatically.

97 MATHEMATICS AND COMPUTING↗