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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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All sourcesNASA NTRSDOE OSTI
DOE OSTI2016

PV Degradation Methodology Comparison – A Basis for a Standard

What is the best method to determine long-term PV system performance and degradation rates? Ideally, one universally applicable methodology would be desirable so that a single number could be derived. However, data sets vary in their attributes and evidence is presented that defining two methodologies may be preferable. Monte Carlo simulations of artificial performance data allowed investigation of different methodologies and their respective confidence intervals. Tradeoffs between different approaches were delineated, elucidating as to why two separate approaches may need to be included in a standard. Regression approaches tend to be preferable when data sets are less contaminated by seasonality, noise and occurrence of outliers although robust regression can significantly improve the accuracy when outliers are present. In the presence of outliers, marked seasonality, or strong soiling events, year-on-year approaches tend to outperform regression approaches.

14 SOLAR ENERGY↗
DOE OSTI2017

Adaptive quantum/molecular mechanics: what have we learned, where are we, and where do we go from here?: Adaptive QM/MM

Adaptive quantum-mechanics/molecular-mechanics (QM/MM) methods feature on-the-fly reclassification of atoms as QM or MM during a molecular dynamics(MD) simulation, allowing the location and contents of the QM subsystem to be dynamically updated as needed. Such flexibility is a distinct advantage over conventional QM/MM, where a ‘static’ boundary is retained between the QM and MM subsystems. The ‘dynamic’ boundary in adaptive QM/MM allows a finite-size QM to sustain simulations with an arbitrary length of time. Here, to ensure smooth transitions between QM and MM, the energy or forces are interpolated.Special treatments are applied so that artifacts are eliminated or minimized.Recent developments have shed light on the relationship between the adaptive algorithms that describe Hamiltonian and non-Hamiltonian systems. Originally developed to model an ion solvated in bulk solvent, adaptive QM/MM has been enhanced in many aspects, including the treatment of molecular fragments in macromolecules, monitoring molecules entering/leaving binding sites, and tracking proton transfer via the Grotthuss mechanism. Because the size of the QM region can be set as small as possible in adaptive QM/MM, the computational costs can be kept low. Small QM subsystems also facilitate the utilization of high-level QM theory and long simulation time, which can potentially lead to new insights.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2017

Coupled-cluster based approach for core-level states in condensed phase: Theory and application to different protonated forms of aqueous glycine

A theoretical approach for calculating core-level states in condensed phase is presented. The approach is based on equation-of-motion coupled-cluster theory (EOMCC) and effective fragment potential (EFP) method. By introducing an approximate treatment of double excitations in the EOM-CCSD (EOM-CC with single and double substitutions) ansatz, we address poor convergence issues that are encountered for the core-level states and significantly reduce computational costs. While the approximations introduce relatively large errors in the absolute values of transition energies, the errors are systematic. Consequently, chemical shifts, changes in ionization energies relative to reference systems, are reproduced reasonably well. By using different protonation forms of solvated glycine as a benchmark system, we show that our protocol is capable of reproducing the experimental chemical shifts with a quantitative accuracy. The results demonstrate that chemical shifts are very sensitive to the solvent interactions and that explicit treatment of solvent, such as EFP, is essential for achieving quantitative accuracy.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2015

SU-E-J-53: A Phantom Design to Assist Patient Position Verification System in Daily Image-Guided RT and Comprehensive QA Measurements

Purpose This study is to implement a homemade novel device with surface locking couch index to check daily radiograph (DR) function of adaPTInsight™, stereoscopic image guided system (SIGS), for proton therapy. The comprehensive daily QA checks of proton pencil beam output, field size, flatness and symmetry of spots and energy layers will be followed by using MatriXX dosimetry device. Methods The iBa MatriXX device was used to perform daily dosimetry which is also used to perform SIGS checks. A set of markers were attached to surface of MatriXX device in alignment of DRR of reconstructed CT images and daily DR. The novel device allows MatriXX to be fit into the cradle which was locked by couch index bars on couch surface. This will keep the MatriXX at same XY plane daily with exact coordinates. Couch height Z will be adjusted according to imaging to check isocenter-laser coincidence accuracy. Results adaPTInsight™ provides robotic couch to move in 6-degree coordinate system to align the dosimetry device to be within 1.0 mm / 1.0°. The daily constancy was tightened to be ± 0.5 mm / 0.3° compared to 1.0 mm / 1.0° before. For gantry at 0° and couch all 0° angles (@ Rt ARM 0 setting), offsets measured of the couch systems were ≤ 0.5° in roll, yaw and pitch dimensions. Conclusion Simplicity of novel device made daily image guided QA consistent with accuracy. The offset of the MatriXX isocenter-laser coincident was reproducible. Such easy task not only speeds up the setup, but it increases confidence level in detailed daily comprehensive measurements. The total SIGS alignment time has been shortened with less setup error. This device will enhance our experiences for the future QA when cone beam CT imaging modality becomes available at proton therapy center.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2017

Installing Deep Groundwater Monitoring Wells in a Volcanic Dominated Rift Basin: Los Alamos National Laboratory, New Mexico - 17594

Los Alamos National Laboratory (LANL, or the Laboratory) is located in northern New Mexico near the west margin of the Espanola Basin. LANL is underlain by a complex basin-fill sequence of alluvial fan deposits, volcanic tuff, basaltic and dacitic lavas, and riverine deposits. On-going environmental remediation and characterization activities have evolved to improve the performance of groundwater monitoring wells, ensuring they yield representative groundwater and core samples. Groundwater occurs as canyon-fill alluvial water, perched intermediate-depth water associated with the basalts and other local-scale perching horizons, and as a regional-scale aquifer that is the main water supply for the area. Anthropogenic contaminants are found in all three groundwater zones. The regional aquifer below LANL is nominally 1000-1400 feet below ground surface (bgs). Monitoring wells at the Laboratory, are therefore, among the deepest routinely installed in the US. Logistical challenges at LANL include steep terrain, widespread cultural sites, and threatened and endangered species habitat restrictions. Additionally, the cost of installing monitoring wells is high because of groundwater depths and the variable drilling techniques that are required to characterize and install wells in a complex geologic environment. A major challenge to the characterization approach at LANL has been to meet sample quality requirements while minimizing drilling costs. In the late 1990's threaded drill-casing was advanced by rotary drilling methods using compressed air as the only circulation fluid. This resulted in relatively low impacts to the geochemical integrity of rock and groundwater samples, but led to frequent episodes of stuck casing. Additional fluids were introduced to the air-rotary program, improving penetration rates, but also resulting in non-representative groundwater samples due to long-term impacts to the aquifer in the vicinity of the well screen. Mud-rotary drilling was incorporated into the program, but it also had significant long-term impacts on groundwater quality, and often inhibited identification of perched groundwater zones and accurate identification of the water table in the regional aquifer. Current drilling practice makes limited use of fluid additives (e.g. foam) to supplement air circulation methods in order to advance drill casing through the vadose zone. Starting about 100 feet above the water table, drill casing is advanced to the target horizon in the regional aquifer using only air and municipal water (when needed) for circulation. Additionally, the threaded drill casing couplings have been replaced with welded connections, significantly reducing the occurrence of stuck casing. Careful observations of water production and water levels during drilling, coupled with the ability to retract casing for video and geophysical logs, now allows for robust characterization of perched groundwater systems and accurate definition of the top of regional saturation. Recent advances in the drilling program include combined dual-rotary/sonic drilling to depths up to 1150 feet and dual-rotary casing advance at angles up to 25 deg. from vertical. The former allows for core collection with minimal fluid addition, thereby preserving pore water chemistry. The latter method allows for well installation into portions of the aquifer otherwise inaccessible due to constraints at the surface (e.g., cultural sites or topography). Similar to the development of drilling techniques, both well design and groundwater sampling system design have evolved throughout the program. Current well design emphasizes a minimal annulus of filter pack, maximum screen slot size based on formation sieve analyses, and thorough well development to mitigate formation damage due to drilling. To sample groundwater at multiple levels in the same well, earlier sampling systems included Westbay{sup R} multi-zone systems and dual-screen single-pump and dual-screen dual-pump systems designed in collaboration with Baski, Inc. These multi-zone sampling systems proved difficult to develop and maintain given the depth to groundwater, and most current well installations are configured with a single screen and a submersible pump. The ability to purge from a well-developed single-screen well has substantially improved the collection of representative groundwater samples. A carefully crafted groundwater characterization program in target aquifers at depths ranging from 1,000 to 1,400 feet bgs within a complex geologic setting, while also retaining the ability to collect representative core and groundwater samples, may have application at a number of sites throughout the environmental industry. Optimizing each well to meet program objectives while reducing total project costs benefits all environmental investigations. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2020

Linking crop traits to transcriptome differences in a progeny population of tetraploid potato

Background: Potato is the third most consumed crop in the world. Breeding for traits such as yield, product quality and pathogen resistance are main priorities. Identifying molecular signatures of these and other important traits is important in future breeding efforts. In this study, a progeny population from a cross between a breeding line, SW93–1015, and a cultivar, Désirée, was studied by trait analysis and RNA-seq in order to develop understanding of segregating traits at the molecular level and identify transcripts with expressional correlation to these traits. Transcript markers with predictive value for field performance applicable under controlled environments would be of great value for plant breeding.Results: A total of 34 progeny lines from SW93–1015 and Désirée were phenotyped for 17 different traits in a field in Nordic climate conditions and controlled climate settings. A master transcriptome was constructed with all 34 progeny lines and the parents through a de novo assembly of RNA-seq reads. Gene expression data obtained in a controlled environment from the 34 lines was correlated to traits by different similarity indices, including Pearson and Spearman, as well as DUO, which calculates the co-occurrence between high and low values for gene expression and trait. Our study linked transcripts to traits such as yield, growth rate, high laying tubers, late and tuber blight, tuber greening and early flowering. We found several transcripts associated to late blight resistance and transcripts encoding receptors were associated to Dickeya solani susceptibility. Transcript levels of a UBX-domain protein was negatively associated to yield and a GLABRA2 expression modulator was negatively associated to growth rate.Conclusion: In our study, we identify 100’s of transcripts, putatively linked based on expression with 17 traits of potato, representing both well-known and novel associations. This approach can be used to link the transcriptome to traits. We explore the possibility of associating the level of transcript expression from controlled, optimal environments to traits in a progeny population with different methods introducing the application of DUO for the first time on transcriptome data. We verify the expression pattern for five of the putative transcript markers in another progeny population.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2017

Evaluation of Rapid for a UNF cask benchmark problem

To ensure criticality safety and maintain a high level of security of Used Nuclear Fuel (UNF), it is necessary to perform detailed Particle Transport simulations. The commonly used technique is the 3-D, continuous energy Monte Carlo method that is time-consuming and, for eigenvalue calculations, may have difficulties with the source convergence. Wenner and Haghighat and Dufek demonstrated that in criticality problems with high dominance ratio and/or under-sampling possibilities, the fission matrix (FM) methodology should be used in order to be able to obtain unbiased solution. The RAPID (Real-time Analysis for Particle transport and In-situ Detection) code system is based on the Multi-stage Response-function Transport (MRT) methodology, and uses the FM formulation to determine eigenvalue, subcritical multiplication and fission density distribution of nuclear systems. This paper uses a benchmark problem similar to the GBC-32 Cask to evaluate the accuracy and performance of RAPID against the results of a reference MCNP solution. We performed a detailed sensitivity analysis on a single-assembly model in order to determine the MCNP eigenvalue parameters necessary to obtain a reliable reference solution. These results provided a guide for the selection of an appropriate set of parameters for the eigenvalue calculation for the whole cask. The paper is organized as follows: initially, the RAPID code system is briefly discussed; then, the benchmark problem is introduced. The methodology used to analyze results is proposed and some of the results of different cases are analyzed to identify the best set of eigenvalue parameters for a reference MCNP calculation. The selected case is then compared with the RAPID calculation for both a single assembly and a full cask model. In the end some conclusions and future work perspectives are drawn.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2024

The 3D Lyman- α forest power spectrum from eBOSS DR16

We measure the three-dimensional power spectrum (P3D) of the transmitted flux in the Lyman-α (Ly α) forest using the complete extended Baryon Oscillation Spectroscopic Survey data release 16 (eBOSS DR16). This sample consists of ~205 000 quasar spectra in the redshift range 2 ≤ z ≤ 4 at an effective redshift z = 2.334. We propose a pair-count spectral estimator in configuration space, weighting each pair by exp( i k ∙ r), for wave vector k and pixel pair separation r, effectively measuring the anisotropic power spectrum without the need for fast Fourier transforms. This accounts for the window matrix in a tractable way, avoiding artefacts found in Fourier-transform based power spectrum estimators due to the sparse sampling transverse to the line of sight of Ly α skewers. We extensively test our pipeline on two sets of mocks: (i) idealized Gaussian random fields with a sparse sampling of Ly α skewers, and (ii) log-normal LyaCoLoRe mocks including realistic noise levels, the eBOSS survey geometry and contaminants. On eBOSS DR16 data, the Kaiser formula with a non-linear correction term obtained from hydrodynamic simulations yields a good fit to the power spectrum data in the range $(0.02 ≤ k ≤ 0.35)$ h Mpc -1 at the 1–2σ level with a covariance matrix derived from LyaCoLoRe mocks. We demonstrate a promising new approach for full-shape cosmological analyses of Ly α forest data from cosmological surveys such as eBOSS, the currently observing Dark Energy Spectroscopic Instrument and future surveys such as the Prime Focus Spectrograph, WEAVE-QSO, and 4MOST.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2016

Variation in Definitive Therapy for Localized Non-Small Cell Lung Cancer Among National Comprehensive Cancer Network Institutions

Purpose: This study determined practice patterns in the staging and treatment of patients with stage I non-small cell lung cancer (NSCLC) among National Comprehensive Cancer Network (NCCN) member institutions. Secondary aims were to determine trends in the use of definitive therapy, predictors of treatment type, and acute adverse events associated with primary modalities of treatment. Methods and Materials: Data from the National Comprehensive Cancer Network Oncology Outcomes Database from 2007 to 2011 for US patients with stage I NSCLC were used. Main outcome measures included patterns of care, predictors of treatment, acute morbidity, and acute mortality. Results: Seventy-nine percent of patients received surgery, 16% received definitive radiation therapy (RT), and 3% were not treated. Seventy-four percent of the RT patients received stereotactic body RT (SBRT), and the remainder received nonstereotactic RT (NSRT). Among participating NCCN member institutions, the number of surgeries-to-RT course ratios varied between 1.6 and 34.7 (P<.01), and the SBRT-to-NSRT ratio varied between 0 and 13 (P=.01). Significant variations were also observed in staging practices, with brain imaging 0.33 (0.25-0.43) times as likely and mediastinoscopy 31.26 (21.84-44.76) times more likely for surgical patients than for RT patients. Toxicity rates for surgical and for SBRT patients were similar, although the rates were double for NSRT patients. Conclusions: The variations in treatment observed among NCCN institutions reflects the lack of level I evidence directing the use of surgery or SBRT for stage I NSCLC. In this setting, research of patient and physician preferences may help to guide future decision making.

62 RADIOLOGY AND NUCLEAR MEDICINE↗
DOE OSTI2016

TH-AB-201-11: Small-Field Beam Quality Corrections and Their Clinical Impact for Flattened and Unflattened Fields of the TrueBeam

Purpose: To determine small-field beam quality correction factors for several detectors used with flattened and unflattened beams of the Varian TrueBeam accelerator, and to quantify the clinical impact of these corrections through a treatment planning study. Methods: Small-field beam quality correction factors were measured and simulated in EGSnrc for several microchambers and diodes. The Exradin W1 plastic scintillation detector was used as a reference for the measured results, and its response was validated using alanine measurements traceable to a primary standard. Symmetric, jaw-defined field sizes ranging from 6 mm to 10 cm were used. Twelve hypofractionated clinical cases were then recalculated and/or reoptimized using beam models that were modified based on the resulting output factors. Three-dimensional dose distributions and cumulative dose-volume-histogram plots were compared between the models. The impact of these measurements on the flattening-filter-scatter-source (FFSS) model, and its subsequent effect on treatment plans, was also investigated. Results: The diodes exhibited over-response in small fields, whereas the microchambers tended to under-respond as field size decreased. Field-size-dependent effects were less significant for the flattening-filter-free beams (i.e., corrections were closer to unity) than for flattened fields of the same size. Recalculated and reoptimized plans displayed varying levels of deviation from the original dose distributions, with larger discrepancies at effective jaw settings of 3×3 cm{sup 2} or smaller. Dose distributions calculated using uncorrected microchamber output factors and/or modified FFSS showed large discrepancies in the low-dose regions, which manifested as DVH changes for the organs at risk (OAR). Conclusion: Field-size-dependent beam quality corrections were measured and simulated for ionization chambers and diodes typically used in small fields. Plans calculated with models based on these measured data showed dosimetric deviations mainly out of field, which affected OAR dose metrics. Accordingly, these beam quality corrections should be accounted for during commissioning to ensure greater treatment planning accuracy.

07 ISOTOPE AND RADIATION SOURCES↗
DOE OSTI2020

Spectral Variability of VHS J1256–1257b from 1 to 5 μm

Multiwavelength time-resolved observations of rotationally modulated variability from brown dwarfs and giant exoplanets are the most effective method for constraining their heterogeneous atmospheric structures. In a companion paper, we reported the discovery of strong near-infrared variability in HST/WFC3/G141 light curves of the very red L-dwarf companion VHS J1256–1257b. In this paper, we present a follow-up 36 hr Spitzer/IRAC Channel 2 light curve together with an in-depth analysis of the Hubble space telescope (HST) and the Spitzer data. The combined data set provides time-resolved light curves of VHS1256b sampling 1.1 to 4.5 μm. The Spitzer light curve is best fit with a single sine wave with a period of 22.04 ± 0.05 hr and a peak-to-peak amplitude of 5.76 ± 0.04%. Combining the period with a previously measured projected rotational velocity (v sin i), we find that VHS1256b is most consistent with equatorial viewing geometry. The HST/G141+Spitzer spectral energy distribution favors a model with a T{sub eff} of 1000 K and low surface gravity with disequilibrium chemistry. The spectral variability of VHS1256b is consistent with predictions from partly cloudy models, suggesting that heterogeneous clouds are the dominant source of the observed modulations. We find evidence at the 3.3σ level for amplitude variations within the 1.67 μm CH{sub 4} band, which is the first such detection for a variable L-dwarf. We compare the HST/G141 time-resolved spectra of three red L-dwarfs with high-amplitude near-infrared rotational modulations and find that although their time-averaged spectra are similar, their spectroscopic variabilities exhibit notable differences. This diversity reinforces the advantage of time-resolved spectroscopic observations for understanding the atmospheres of brown dwarfs and directly imaged exoplanets.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

Transferability of data-driven, many-body models for CO 2 simulations in the vapor and liquid phases

Here, extending on the previous work by Riera et al. [J. Chem. Theory Comput. 16, 2246–2257 (2020)], we introduce a second generation family of data-driven many-body MB-nrg models for CO 2 and systematically assess how the strength and anisotropy of the CO 2 –CO 2 interactions affect the models’ ability to predict vapor, liquid, and vapor–liquid equilibrium properties. Building upon the many-body expansion formalism, we construct a series of MB-nrg models by fitting one-body and two-body reference energies calculated at the coupled cluster level of theory for large monomer and dimer training sets. Advancing from the first generation models, we employ the charge model 5 scheme to determine the atomic charges and systematically scale the two-body energies to obtain more accurate descriptions of vapor, liquid, and vapor–liquid equilibrium properties. Challenges in model construction arise due to the anisotropic nature and small magnitude of the interaction energies in CO 2 , calling for the necessity of highly accurate descriptions of the multidimensional energy landscape of liquid CO 2 . These findings emphasize the key role played by the training set quality in the development of transferable, data-driven models, which, accurately representing high-dimensional many-body effects, can enable predictive computer simulations of molecular fluids across the entire phase diagram.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2015

SU-E-T-48: A Multi-Institutional Study of Independent Dose Verification for Conventional, SRS and SBRT

Purpose: To show the results of a multi-institutional study of the independent dose verification for conventional, Stereotactic radiosurgery and body radiotherapy (SRS and SBRT) plans based on the action level of AAPM TG-114. Methods: This study was performed at 12 institutions in Japan. To eliminate the bias of independent dose verification program (Indp), all of the institutions used the same CT-based independent dose verification software (Simple MU Analysis, Triangle Products, JP) with the Clarkson-based algorithm. Eclipse (AAA, PBC), Pinnacle{sup 3} (Adaptive Convolve) and Xio (Superposition) were used as treatment planning system (TPS). The confidence limits (CL, Mean±2SD) for 18 sites (head, breast, lung, pelvis, etc.) were evaluated in comparison in dose between the TPS and the Indp. Results: A retrospective analysis of 6352 treatment fields was conducted. The CLs for conventional, SRS and SBRT were 1.0±3.7 %, 2.0±2.5 % and 6.2±4.4 %, respectively. In conventional plans, most of the sites showed within 5 % of TG-114 action level. However, there were the systematic difference (4.0±4.0 % and 2.5±5.8 % for breast and lung, respectively). In SRS plans, our results showed good agreement compared to the action level. In SBRT plans, the discrepancy between the Indp was variable depending on dose calculation algorithms of TPS. Conclusion: The impact of dose calculation algorithms for the TPS and the Indp affects the action level. It is effective to set the site-specific tolerances, especially for the site where inhomogeneous correction can affect dose distribution strongly.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2015

TU-F-CAMPUS-J-02: Evaluation of Textural Feature Extraction for Radiotherapy Response Assessment of Early Stage Breast Cancer Patients Using Diffusion Weighted MRI and Dynamic Contrast Enhanced MRI

Purpose: To investigate the feasibility of using classic textural feature extraction in radiotherapy response assessment, we studied a unique cohort of early stage breast cancer patients with paired pre - and post-radiation Diffusion Weighted MRI (DWI-MRI) and Dynamic Contrast Enhanced MRI (DCE-MRI). Methods: 15 female patients from our prospective phase I trial evaluating preoperative radiotherapy were included in this retrospective study. Each patient received a single-fraction radiation treatment, and DWI and DCE scans were conducted before and after the radiotherapy. DWI scans were acquired using a spin-echo EPI sequence with diffusion weighting factors of b = 0 and b = 500 mm{sup 2} /s, and the apparent diffusion coefficient (ADC) maps were calculated. DCE-MRI scans were acquired using a T{sub 1}-weighted 3D SPGR sequence with a temporal resolution of about 1 minute. The contrast agent (CA) was intravenously injected with a 0.1 mmol/kg bodyweight dose at 2 ml/s. Two parameters, volume transfer constant (K{sup trans} ) and k{sub ep} were analyzed using the two-compartment Tofts kinetic model. For DCE parametric maps and ADC maps, 33 textural features were generated from the clinical target volume (CTV) in a 3D fashion using the classic gray level co-occurrence matrix (GLCOM) and gray level run length matrix (GLRLM). Wilcoxon signed-rank test was used to determine the significance of each texture feature’s change after the radiotherapy. The significance was set to 0.05 with Bonferroni correction. Results: For ADC maps calculated from DWI-MRI, 24 out of 33 CTV features changed significantly after the radiotherapy. For DCE-MRI pharmacokinetic parameters, all 33 CTV features of K{sup trans} and 33 features of k{sub ep} changed significantly. Conclusion: Initial results indicate that those significantly changed classic texture features are sensitive to radiation-induced changes and can be used for assessment of radiotherapy response in breast cancer.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2015

Dual energy CT: How well can pseudo-monochromatic imaging reduce metal artifacts?

Purpose: Dual Energy CT (DECT) provides so-called monoenergetic images based on a linear combination of the original polychromatic images. At certain patient-specific energy levels, corresponding to certain patient- and slice-dependent linear combination weights, e.g., E = 160 keV corresponds to α = 1.57, a significant reduction of metal artifacts may be observed. The authors aimed at analyzing the method for its artifact reduction capabilities to identify its limitations. The results are compared with raw data-based processing. Methods: Clinical DECT uses a simplified version of monochromatic imaging by linearly combining the low and the high kV images and by assigning an energy to that linear combination. Those pseudo-monochromatic images can be used by radiologists to obtain images with reduced metal artifacts. The authors analyzed the underlying physics and carried out a series expansion of the polychromatic attenuation equations. The resulting nonlinear terms are responsible for the artifacts, but they are not linearly related between the low and the high kV scan: A linear combination of both images cannot eliminate the nonlinearities, it can only reduce their impact. Scattered radiation yields additional noncanceling nonlinearities. This method is compared to raw data-based artifact correction methods. To quantify the artifact reduction potential of pseudo-monochromatic images, they simulated the FORBILD abdomen phantom with metal implants, and they assessed patient data sets of a clinical dual source CT system (100, 140 kV Sn) containing artifacts induced by a highly concentrated contrast agent bolus and by metal. In each case, they manually selected an optimal α and compared it to a raw data-based material decomposition in case of simulation, to raw data-based material decomposition of inconsistent rays in case of the patient data set containing contrast agent, and to the frequency split normalized metal artifact reduction in case of the metal implant. For each case, the contrast-to-noise ratio (CNR) was assessed. Results: In the simulation, the pseudo-monochromatic images yielded acceptable artifact reduction results. However, the CNR in the artifact-reduced images was more than 60% lower than in the original polychromatic images. In contrast, the raw data-based material decomposition did not significantly reduce the CNR in the virtual monochromatic images. Regarding the patient data with beam hardening artifacts and with metal artifacts from small implants the pseudo-monochromatic method was able to reduce the artifacts, again with the downside of a significant CNR reduction. More intense metal artifacts, e.g., as those caused by an artificial hip joint, could not be suppressed. Conclusions: Pseudo-monochromatic imaging is able to reduce beam hardening, scatter, and metal artifacts in some cases but it cannot remove them. In all cases, the CNR is significantly reduced, thereby rendering the method questionable, unless special post processing algorithms are implemented to restore the high CNR from the original images (e.g., by using a frequency split technique). Raw data-based dual energy decomposition methods should be preferred, in particular, because the CNR penalty is almost negligible.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2022

Module-Level Thermal Interface Material Degradation in HALT

Abstract In this study, thermal interface material (TIM) degradation is driven through highly accelerated life test (HALT) using temperature cycling with a prescribed vibrational acceleration for two commercially available materials having thermal conductivities of 6.0 and 8.5 W/m K. HALT specimens were prepared by applying TIM through a 4-mil stencil over AlSiC baseplates in the shape of those used in Wolfspeed CAS325M12HM2 power electronics modules. Baseplates were mounted onto aluminum carrier blocks with embedded thermocouples to characterize the thermal resistance across the baseplate and TIM layer. Thermal dissipation into the top of the baseplates was provided by a custom heating block, which mimics the size and placement of the die junctions in CAS325 modules, applying power loads of 200, 300, and 400 W. After initial characterization, samples were transferred to the HALT chamber with one set of samples exposed to temperature cycling only (TCO) and the other temperature cycling and vibration (TCV). Both sample sets were cycled between temperature extremes of −40 °C and 180 °C with vibrations applied at a peak acceleration of 3.21 Grms. After hundreds of cycles, samples were reevaluated to assess changes in thermal resistance to provide an accelerated measure of TIM degradation. This allows for reliability prediction of useful lifetime (illustrated in a solar inverter case study herein), as well as to provide a basis for developing an accelerated testing method to related temperature cycling to faster methods of degradation. Such techniques provide a means to develop maintenance schedules for power modules for ensuring sufficient thermal performance over the operating lifetime.

Engineering↗
DOE OSTI2015

WE-F-BRB-03: Inclusion of Data-Driven Risk Predictions in Radiation Treatment Planning in the Context of a Local Level Learning Health System

Advancements in informatics in radiotherapy are opening up opportunities to improve our ability to assess treatment plans. Models on individualizing patient dose constraints from prior patient data and shape relationships have been extensively researched and are now making their way into commercial products. New developments in knowledge based treatment planning involve understanding the impact of the radiation dosimetry on the patient. Akin to radiobiology models that have driven intensity modulated radiotherapy optimization, toxicity and outcome predictions based on treatment plans and prior patient experiences may be the next step in knowledge based planning. In order to realize these predictions, it is necessary to understand how the clinical information can be captured, structured and organized with ontologies and databases designed for recall. Large databases containing radiation dosimetry and outcomes present the opportunity to evaluate treatment plans against predictions of toxicity and disease response. Such evaluations can be based on dose volume histogram or even the full 3-dimensional dose distribution and its relation to the critical anatomy. This session will provide an understanding of ontologies and standard terminologies used to capture clinical knowledge into structured databases; How data can be organized and accessed to utilize the knowledge in planning; and examples of research and clinical efforts to incorporate that clinical knowledge into planning for improved care for our patients. Learning Objectives: Understand the role of standard terminologies, ontologies and data organization in oncology Understand methods to capture clinical toxicity and outcomes in a clinical setting Understand opportunities to learn from clinical data and its application to treatment planning Todd McNutt receives funding from Philips, Elekta and Toshiba for some of the work presented.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2021

INTEGRATE - Inverse Network Transformations for Efficient Generation of Robust Airfoil and Turbine Enhancements

The INTEGRATE (Inverse Network Transformations for Efficient Generation of Robust Airfoil and Turbine Enhancements) project is developing a new inverse-design capability for the aerodynamic design of wind turbine rotors using invertible neural networks. This AI-based design technology can capture complex non-linear aerodynamic effects while being 100 times faster than design approaches based on computational fluid dynamics. This project enables innovation in wind turbine design by accelerating time to market through higher-accuracy early design iterations to reduce the levelized cost of energy. INVERTIBLE NEURAL NETWORKS Researchers are leveraging a specialized invertible neural network (INN) architecture along with the novel dimension-reduction methods and airfoil/blade shape representations developed by collaborators at the National Institute of Standards and Technology (NIST) learns complex relationships between airfoil or blade shapes and their associated aerodynamic and structural properties. This INN architecture will accelerate designs by providing a cost-effective alternative to current industrial aerodynamic design processes, including: - Blade element momentum (BEM) theory models: limited effectiveness for design of offshore rotors with large, flexible blades where nonlinear aerodynamic effects dominate - Direct design using computational fluid dynamics (CFD): cost-prohibitive - Inverse-design models based on deep neural networks (DNNs): attractive alternative to CFD for 2D design problems, but quickly overwhelmed by the increased number of design variables in 3D problems AUTOMATED COMPUTATIONAL FLUID DYNAMICS FOR TRAINING DATA GENERATION - MERCURY FRAMEWORK The INN is trained on data obtained using the University of Marylands (UMD) Mercury Framework, which has with robust automated mesh generation capabilities and advanced turbulence and transition models validated for wind energy applications. Mercury is a multi-mesh paradigm, heterogeneous CPU-GPU framework. The framework incorporates three flow solvers at UMD, 1) OverTURNS, a structured solver on CPUs, 2) HAMSTR, a line based unstructured solver on CPUs, and 3) GARFIELD, a structured solver on GPUs. The framework is based on Python, that is often used to wrap C or Fortran codes for interoperability with other solvers. Communication between multiple solvers is accomplished with a Topology Independent Overset Grid Assembler (TIOGA). NOVEL AIRFOIL SHAPE REPRESENTATIONS USING GRASSMAN SPACES We developed a novel representation of shapes which decouples affine-style deformations from a rich set of data-driven deformations over a submanifold of the Grassmannian. The Grassmannian representation as an analytic generative model, informed by a database of physically relevant airfoils, offers (i) a rich set of novel 2D airfoil deformations not previously captured in the data , (ii) improved low-dimensional parameter domain for inferential statistics informing design/manufacturing, and (iii) consistent 3D blade representation and perturbation over a sequence of nominal shapes. TECHNOLOGY TRANSFER DEMONSTRATION - COUPLING WITH NREL WISDEM Researchers have integrated the inverse-design tool for 2D airfoils (INN-Airfoil) into WISDEM (Wind Plant Integrated Systems Design and Engineering Model), a multidisciplinary design and optimization framework for assessing the cost of energy, as part of tech-transfer demonstration. The integration of INN-Airfoil into WISDEM allows for the design of airfoils along with the blades that meet the dynamic design constraints on cost of energy, annual energy production, and the capital costs. Through preliminary studies, researchers have shown that the coupled INN-Airfoil + WISDEM approach reduces the cost of energy by around 1% compared to the conventional design approach. This page will serve as a place to easily access all the publications from this work and the repositories for the software developed and released through this pr...

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