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Automated bone segmentation from dental CBCT images using patch-based sparse representation and convex optimization

Purpose: Cone-beam computed tomography (CBCT) is an increasingly utilized imaging modality for the diagnosis and treatment planning of the patients with craniomaxillofacial (CMF) deformities. Accurate segmentation of CBCT image is an essential step to generate three-dimensional (3D) models for the diagnosis and treatment planning of the patients with CMF deformities. However, due to the poor image quality, including very low signal-to-noise ratio and the widespread image artifacts such as noise, beam hardening, and inhomogeneity, it is challenging to segment the CBCT images. In this paper, the authors present a new automatic segmentation method to address these problems. Methods: To segment CBCT images, the authors propose a new method for fully automated CBCT segmentation by using patch-based sparse representation to (1) segment bony structures from the soft tissues and (2) further separate the mandible from the maxilla. Specifically, a region-specific registration strategy is first proposed to warp all the atlases to the current testing subject and then a sparse-based label propagation strategy is employed to estimate a patient-specific atlas from all aligned atlases. Finally, the patient-specific atlas is integrated into amaximum a posteriori probability-based convex segmentation framework for accurate segmentation. Results: The proposed method has been evaluated on a dataset with 15 CBCT images. The effectiveness of the proposed region-specific registration strategy and patient-specific atlas has been validated by comparing with the traditional registration strategy and population-based atlas. The experimental results show that the proposed method achieves the best segmentation accuracy by comparison with other state-of-the-art segmentation methods. Conclusions: The authors have proposed a new CBCT segmentation method by using patch-based sparse representation and convex optimization, which can achieve considerably accurate segmentation results in CBCT segmentation based on 15 patients.

62 RADIOLOGY AND NUCLEAR MEDICINE↗

Amorphous In–Ga–Zn–O thin-film transistor active pixel sensor x-ray imager for digital breast tomosynthesis

Purpose: The breast cancer detection rate for digital breast tomosynthesis (DBT) is limited by the x-ray image quality. The limiting Nyquist frequency for current DBT systems is around 5 lp/mm, while the fine image details contained in the high spatial frequency region (>5 lp/mm) are lost. Also today the tomosynthesis patient dose is high (0.67–3.52 mGy). To address current issues, in this paper, for the first time, a high-resolution low-dose organic photodetector/amorphous In–Ga–Zn–O thin-film transistor (a-IGZO TFT) active pixel sensor (APS) x-ray imager is proposed for next generation DBT systems. Methods: The indirect x-ray detector is based on a combination of a novel low-cost organic photodiode (OPD) and a cesium iodide-based (CsI:Tl) scintillator. The proposed APS x-ray imager overcomes the difficulty of weak signal detection, when small pixel size and low exposure conditions are used, by an on-pixel signal amplification with a significant charge gain. The electrical performance of a-IGZO TFT APS pixel circuit is investigated by SPICE simulation using modified Rensselaer Polytechnic Institute amorphous silicon (a-Si:H) TFT model. Finally, the noise, detective quantum efficiency (DQE), and resolvability of the complete system are modeled using the cascaded system formalism. Results: The result demonstrates that a large charge gain of 31–122 is achieved for the proposed high-mobility (5–20 cm{sup 2}/V s) amorphous metal-oxide TFT APS. The charge gain is sufficient to eliminate the TFT thermal noise, flicker noise as well as the external readout circuit noise. Moreover, the low TFT (<10{sup −13} A) and OPD (<10{sup −8} A/cm{sup 2}) leakage currents can further reduce the APS noise. Cascaded system analysis shows that the proposed APS imager with a 75 μm pixel pitch can effectively resolve the Nyquist frequency of 6.67 lp/mm, which can be further improved to ∼10 lp/mm if the pixel pitch is reduced to 50 μm. Moreover, the detector entrance exposure per projection can be reduced from 1 to 0.3 mR without a significant reduction of DQE. The signal-to-noise ratio of the a-IGZO APS imager under 0.3 mR x-ray exposure is comparable to that of a-Si:H passive pixel sensor imager under 1 mR, indicating good image quality under low dose. A threefold reduction of current tomosynthesis dose is expected if proposed technology is combined with an advanced DBT image reconstruction method. Conclusions: The proposed a-IGZO APS x-ray imager with a pixel pitch <75 μm is capable to achieve a high spatial frequency (>6.67 lp/mm) and a low dose (<0.4 mGy) in next generation DBT systems.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Effects of refractive index mismatch in optical CT imaging of polymer gel dosimeters

Purpose: Proposing an image reconstruction technique, algebraic reconstruction technique-refraction correction (ART-rc). The proposed method takes care of refractive index mismatches present in gel dosimeter scanner at the boundary, and also corrects for the interior ray refraction. Polymer gel dosimeters with high dose regions have higher refractive index and optical density compared to the background medium, these changes in refractive index at high dose results in interior ray bending. Methods: The inclusion of the effects of refraction is an important step in reconstruction of optical density in gel dosimeters. The proposed ray tracing algorithm models the interior multiple refraction at the inhomogeneities. Jacob’s ray tracing algorithm has been modified to calculate the pathlengths of the ray that traverses through the higher dose regions. The algorithm computes the length of the ray in each pixel along its path and is used as the weight matrix. Algebraic reconstruction technique and pixel based reconstruction algorithms are used for solving the reconstruction problem. The proposed method is tested with numerical phantoms for various noise levels. The experimental dosimetric results are also presented. Results: The results show that the proposed scheme ART-rc is able to reconstruct optical density inside the dosimeter better than the results obtained using filtered backprojection and conventional algebraic reconstruction approaches. The quantitative improvement using ART-rc is evaluated using gamma-index. The refraction errors due to regions of different refractive indices are discussed. The effects of modeling of interior refraction in the dose region are presented. Conclusions: The errors propagated due to multiple refraction effects have been modeled and the improvements in reconstruction using proposed model is presented. The refractive index of the dosimeter has a mismatch with the surrounding medium (for dry air or water scanning). The algorithm reconstructs the dose profiles by estimating refractive indices of multiple inhomogeneities having different refractive indices and optical densities embedded in the dosimeter. This is achieved by tracking the path of the ray that traverses through the dosimeter. Extensive simulation studies have been carried out and results are found to be matching that of experimental results.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

SU-E-T-60: A Plan Quality Index in IMRT QA That Is Independent of the Acceptance Criteria

Purpose: In IMRT QA, plan quality evaluation is made based on pass rate under preset acceptance criteria, mostly using gamma-values. This method is convenient but, its Result highly depends on what the acceptance criteria are and suffers from the lack of sensitivity in judging how good the plan is. In this study, we introduced a simple but effective plan quality index of IMRT QA based on dose difference only to supplement such shortcomings, and investigated its validity. Methods: The proposed index is a single value which is calculated mainly based on point-by-point comparison between planned and measured dose distributions, and it becomes “1” in an ideal case. A systematic evaluation was performed with one-dimensional test dose distributions. For 3 hypothetical dose profiles, various displacements (in both dose and space) were introduced, the proposed index was calculated for each case, and the behavior of obtained indices was analyzed and compared with that of gamma evaluation. In addition, the feasibility of the index was assessed with clinical IMRT/VMAT/SBRT QA cases for different sites (prostate, head & neck, liver, lung, spine, and abdomen). Results: The proposed index showed more robust correlation with the amount of induced displacement compared to the gamma evaluation method. No matter what the acceptance criteria are (e.g., whether 3%/3mm or 2%/2mm), it was possible to clearly rank every case with the proposed index while it was difficult to do with the gamma evaluation method. Conclusion: IMRT plan quality can be evaluated quantitatively by the proposed index. It is considered that the proposed index would provide useful information for better judging the level of goodness of each plan and its Result is independent of the acceptance criteria. This work was supported by the Radiation Technology R&D program (No. 2013M2A2A7043498) and the Mid-career Researcher Program (2014R1A2A1A10050270) through the National Research Foundation of Korea funded by the Ministry of Science, ICT&Future Planning.

60 APPLIED LIFE SCIENCES↗

SU-C-207B-03: A Geometrical Constrained Chan-Vese Based Tumor Segmentation Scheme for PET

Purpose: Accurate segmentation of tumor in PET is challenging when part of tumor is connected with normal organs/tissues with no difference in intensity. Conventional segmentation methods, such as thresholding or region growing, cannot generate satisfactory results in this case. We proposed a geometrical constrained Chan-Vese based scheme to segment tumor in PET for this special case by considering the similarity between two adjacent slices. Methods: The proposed scheme performs segmentation in a slice-by-slice fashion where an accurate segmentation of one slice is used as the guidance for segmentation of rest slices. For a slice that the tumor is not directly connected to organs/tissues with similar intensity values, a conventional clustering-based segmentation method under user’s guidance is used to obtain an exact tumor contour. This is set as the initial contour and the Chan-Vese algorithm is applied for segmenting the tumor in the next adjacent slice by adding constraints of tumor size, position and shape information. This procedure is repeated until the last slice of PET containing tumor. The proposed geometrical constrained Chan-Vese based algorithm was implemented in Matlab and its performance was tested on several cervical cancer patients where cervix and bladder are connected with similar activity values. The positive predictive values (PPV) are calculated to characterize the segmentation accuracy of the proposed scheme. Results: Tumors were accurately segmented by the proposed method even when they are connected with bladder in the image with no difference in intensity. The average PPVs were 0.9571±0.0355 and 0.9894±0.0271 for 17 slices and 11 slices of PET from two patients, respectively. Conclusion: We have developed a new scheme to segment tumor in PET images for the special case that the tumor is quite similar to or connected to normal organs/tissues in the image. The proposed scheme can provide a reliable way for segmenting tumors.

60 APPLIED LIFE SCIENCES↗

SU-D-206-04: Iterative CBCT Scatter Shading Correction Without Prior Information

Purpose: To estimate and remove the scatter contamination in the acquired projection of cone-beam CT (CBCT), to suppress the shading artifacts and improve the image quality without prior information. Methods: The uncorrected CBCT images containing shading artifacts are reconstructed by applying the standard FDK algorithm on CBCT raw projections. The uncorrected image is then segmented to generate an initial template image. To estimate scatter signal, the differences are calculated by subtracting the simulated projections of the template image from the raw projections. Since scatter signals are dominantly continuous and low-frequency in the projection domain, they are estimated by low-pass filtering the difference signals and subtracted from the raw CBCT projections to achieve the scatter correction. Finally, the corrected CBCT image is reconstructed from the corrected projection data. Since an accurate template image is not readily segmented from the uncorrected CBCT image, the proposed scheme is iterated until the produced template is not altered. Results: The proposed scheme is evaluated on the Catphan©600 phantom data and CBCT images acquired from a pelvis patient. The result shows that shading artifacts have been effectively suppressed by the proposed method. Using multi-detector CT (MDCT) images as reference, quantitative analysis is operated to measure the quality of corrected images. Compared to images without correction, the method proposed reduces the overall CT number error from over 200 HU to be less than 50 HU and can increase the spatial uniformity. Conclusion: An iterative strategy without relying on the prior information is proposed in this work to remove the shading artifacts due to scatter contamination in the projection domain. The method is evaluated in phantom and patient studies and the result shows that the image quality is remarkably improved. The proposed method is efficient and practical to address the poor image quality issue of CBCT images. This work is supported by the Zhejiang Provincial Natural Science Foundation of China (Grant No. LR16F010001), National High-tech R&D Program for Young Scientists by the Ministry of Science and Technology of China (Grant No. 2015AA020917).

60 APPLIED LIFE SCIENCES↗

TU-H-CAMPUS-JeP2-03: Machine-Learning-Based Delineation Framework of GTV Regions of Solid and Ground Glass Opacity Lung Tumors at Datasets of Planning CT and PET/CT Images

Purpose: In radiation treatment planning, delineation of gross tumor volume (GTV) is very important, because the GTVs affect the accuracies of radiation therapy procedure. To assist radiation oncologists in the delineation of GTV regions while treatment planning for lung cancer, we have proposed a machine-learning-based delineation framework of GTV regions of solid and ground glass opacity (GGO) lung tumors following by optimum contour selection (OCS) method. Methods: Our basic idea was to feed voxel-based image features around GTV contours determined by radiation oncologists into a machine learning classifier in the training step, after which the classifier produced the degree of GTV for each voxel in the testing step. Ten data sets of planning CT and PET/CT images were selected for this study. The support vector machine (SVM), which learned voxel-based features which include voxel value and magnitudes of image gradient vector that obtained from each voxel in the planning CT and PET/CT images, extracted initial GTV regions. The final GTV regions were determined using the OCS method that was able to select a global optimum object contour based on multiple active delineations with a level set method around the GTV. To evaluate the results of proposed framework for ten cases (solid:6, GGO:4), we used the three-dimensional Dice similarity coefficient (DSC), which denoted the degree of region similarity between the GTVs delineated by radiation oncologists and the proposed framework. Results: The proposed method achieved an average three-dimensional DSC of 0.81 for ten lung cancer patients, while a standardized uptake value-based method segmented GTV regions with the DSC of 0.43. The average DSCs for solid and GGO were 0.84 and 0.76, respectively, obtained by the proposed framework. Conclusion: The proposed framework with the support vector machine may be useful for assisting radiation oncologists in delineating solid and GGO lung tumors.

60 APPLIED LIFE SCIENCES↗

WE-AB-207A-04: Random Undersampled Cone Beam CT: Theoretical Analysis and a Novel Reconstruction Method

Purpose: Reducing x-ray exposure and speeding up data acquisition motived studies on projection data undersampling. It is an important question that for a given undersampling ratio, what the optimal undersampling approach is. In this study, we propose a new undersampling scheme: random-ray undersampling. We will mathematically analyze its projection matrix properties and demonstrate its advantages. We will also propose a new reconstruction method that simultaneously performs CT image reconstruction and projection domain data restoration. Methods: By representing projection operator under the basis of singular vectors of full projection operator, matrix representations for an undersampling case can be generated and numerical singular value decomposition can be performed. We compared properties of matrices among three undersampling approaches: regular-view undersampling, regular-ray undersampling, and the proposed random-ray undersampling. To accomplish CT reconstruction for random undersampling, we developed a novel method that iteratively performs CT reconstruction and missing projection data restoration via regularization approaches. Results: For a given undersampling ratio, random-ray undersampling preserved mathematical properties of full projection operator better than the other two approaches. This translates to advantages of reconstructing CT images at lower errors. Different types of image artifacts were observed depending on undersampling strategies, which were ascribed to the unique singular vectors of the sampling operators in the image domain. We tested the proposed reconstruction algorithm on a Forbid phantom with only 30% of the projection data randomly acquired. Reconstructed image error was reduced from 9.4% in a TV method to 7.6% in the proposed method. Conclusion: The proposed random-ray undersampling is mathematically advantageous over other typical undersampling approaches. It may permit better image reconstruction at the same undersampling ratio. The novel algorithm suitable for this random-ray undersampling was able to reconstruct high-quality images.

60 APPLIED LIFE SCIENCES↗

Learning-based framework for sensor fault-tolerant building HVAC control with model-assisted learning

As people spend up to 87% of their time indoors, intelligent Heating, Ventilation, and Air Conditioning (HVAC) systems in buildings are essential for maintaining occupant comfort and reducing energy consumption. These HVAC systems in smart buildings rely 'on real-time sensor readings, which in practice often suffer from various faults and could also be vulnerable to malicious attacks. Such faulty sensor inputs may lead to the violation of indoor environment requirements (e.g., temperature, humidity, etc.) and the increase of energy consumption. While many model-based approaches have been proposed in the literature for building HVAC control, it is costly to develop accurate physical models for ensuring their performance and even more challenging to address the impact of sensor faults. In this work, we present a novel learning-based framework for sensor fault-tolerant HVAC control, which includes three deep learning based components for 1) generating temperature proposals with the consideration of possible sensor faults, 2) selecting one of the proposals based on the assessment of their accuracy, and 3) applying reinforcement learning with the selected temperature proposal. Moreover, to address the challenge of training data insufficiency in building-related tasks, we propose a model-assisted learning method leveraging an abstract model of building physical dynamics. Through extensive experiments, we demonstrate that the proposed fault-tolerant HVAC control framework can significantly reduce building temperature violations under a variety of sensor fault patterns while maintaining energy efficiency.

Xu, Shichao↗

Demographic Microsimulator for Integrated Urban Systems: Adapting Panel Survey of Income Dynamics to Capture the Continuum of Life

Agent-based models (ABMs) in transportation modeling simulate activity and travel decisions at the disaggregate level of households and individuals. To do this, ABMs require detailed and realistic information on agents’ socioeconomic and demographic characteristics. Various synthetic population generators have been proposed to address this need. However, most of those currently in practice are cross-sectional in nature and do not account for the dynamics within households and individuals as they progress through life events over time. This is a major shortcoming, as literature has shown that transportation decisions are affected by the transition between and co-occurrence of life cycle events. While some demographic evolution simulators have been proposed to address this issue, they are developed using cross-sectional data and capture only a small set of life cycle events and their interdependence. Addressing these drawbacks, we propose a demographic microsimulator (DEMOS) that captures the “continuum of life” by considering a range of household- and individual-level life cycle events. DEMOS is developed using the Panel Survey of Income Dynamics, one of the world’s longest-running longitudinal surveys. The DEMOS submodels consider key life cycle events that are influenced by agents’ demographic variables. DEMOS is applied to evolve the population of the San Francisco Bay Area over a 9-year horizon. Results demonstrate how DEMOS generates life trajectories and how DEMOS outputs match the observed demographic trends. DEMOS is expected to enable longitudinal analysis in the context of ABMs and expand ABMs analyses relating to dynamic processes such as household-level vehicle transactions.

Demographic evolution↗

Capturing Travel Mode Adoption in Designing On-Demand Multimodal Transit Systems

This paper studies how to integrate rider mode preferences into the design of on-demand multimodal transit systems (ODMTSs). It is motivated by a common worry in transit agencies that an ODMTS may be poorly designed if the latent demand, that is, new riders adopting the system, is not captured. This paper proposes a bilevel optimization model to address this challenge, in which the leader problem determines the ODMTS design, and the follower problems identify the most cost efficient and convenient route for riders under the chosen design. The leader model contains a choice model for every potential rider that determines whether the rider adopts the ODMTS given her proposed route. To solve the bilevel optimization model, the paper proposes an exact decomposition method that includes Benders optimal cuts and no-good cuts to ensure the consistency of the rider choices in the leader and follower problems. Moreover, to improve computational efficiency, the paper proposes upper and lower bounds on trip durations for the follower problems, valid inequalities that strengthen the no-good cuts, and approaches to reduce the problem size with problem-specific preprocessing techniques. The proposed method is validated using an extensive computational study on a real data set from the Ann Arbor Area Transportation Authority, the transit agency for the broader Ann Arbor and Ypsilanti region in Michigan. The study considers the impact of a number of factors, including the price of on-demand shuttles, the number of hubs, and access to transit systems criteria. The designed ODMTSs feature high adoption rates and significantly shorter trip durations compared with the existing transit system and highlight the benefits of ensuring access for low-income riders. Finally, the computational study demonstrates the efficiency of the decomposition method for the case study and the benefits of computational enhancements that improve the baseline method by several orders of magnitude. Funding: This research was partly supported by National Science Foundation [Leap HI Proposal NSF-1854684] and the Department of Energy [Research Award 7F-30154].

Operations Research & Management Science↗

Center for Integrated Nanotechnologies 2011 Annual Report

We are pleased to share with you this 2011 edition of the Annual Report from the Center for Integrated Nanotechnologies (CINT) and the growing excitement we feel around cementing our brand as a leader in integration nanoscience. This can be seen most readily in the momentum we have achieved in our signature Integration Focus Activities (IFAs). These efforts unite our scientists across our four scientific Thrust areas with our users to concentrate research on larger-scale nanoscience integration challenges for specific classes of nanomaterials, systems, and phenomena. All three of our current IFAs (p. 10) now have a full head of steam, and nearly 30% of our current user projects map in some meaningful way to one of these IFAs. As part of our redoubled effort to increase our industrial user base, we are also looking to leverage these IFAs to build a stronger link to and spur recruitment within our industrial user community. We believe that the IFAs are a natural community-building tool with an intrinsic value proposition for industry; an R&D pipeline that can lead to more mature, more commercially well-positioned technologies. Finally, as nanoscience and nanotechnology are maturing, we as a research community are beginning to see our efforts extend in many exciting new directions. Our focus on nanoscience integration positions us very well to capitalize on new opportunities including the emerging Mesoscale Initiative within the DOE Office of Science. Many aspects of mesoscale science are embodied in the integration of nanoscale building blocks. We are equally proud of our continuing strong performance in support of our user program. We have fully transitioned to our new user proposal database providing enhanced convenience and flexibility for proposal submission and review. In our two regular proposal calls this year we received a total of 225 proposals, an increase of 10% over our 2010 performance. Our official count on number of users for the period remains at {approx}350 and continues to reflect full engagement of our scientific staff. We are also seeing a steady increase in our industrial user base, with the number of industrial proposals (including Rapid Access proposals) doubling in 2011. We attribute this in part of our outreach efforts including our focused industrial session in each of our past two annual User Conferences. The Center for Integrated Nanotechnologies (CINT) is a Department of Energy/Office of Science Nanoscale Science Research Center (NSRC) operating as a national user facility devoted to establishing the scientific principles that govern the design, performance, and integration of nanoscale materials. Jointly operated by Los Alamos and Sandia National Laboratories, CINT explores the continuum from scientific discovery to use-inspired research, with a focus on the integration of nanoscale materials and structures to achieve new properties and performance and their incorporation into the micro- and macro worlds. Through its Core Facility at Sandia National Laboratories and its Gateway Facility at Los Alamos National Laboratory, CINT provides open access to tools and expertise needed to explore the continuum from scientific discovery to the integration of nanostructures into the micro- and macro worlds. In its overall operations, CINT strives to achieve the following goals common to all Nanoscale Science Research Centers: (1) Conduct forefront research in nanoscale science; (2) Operate as a user facility for scientific research; (3) Provide user access to the relevant BES-supported expertise and capabilities at the host national laboratory; and (4) Leverage other relevant national laboratory capabilities to enhance scientific opportunities for the nanoscience user community. These additional goals are specific to the unique CINT mission: (5) Establish and lead a scientific community dedicated to solving nanoscale science integration challenges; and (6) Create a single user facility program that combines expertise and facilities at both Los Alamos and Sandia National Laboratories. The CINT user program provides the international scientific community with open access to world-class scientific staff and state-of-the-art facilities for theory and simulation, nanomaterials synthesis and characterization, and unique capabilities for nanoscale materials integration, from the level of nanoscale synthesis to the fabrication of micro- and macroscale structures and devices. The staff of CINT includes laboratory scientists, postdocs and technical support staff who are leaders in the nanoscience research programs in CINT scientific thrust areas: (1) Nanoscale Electronics and Mechanics, (2) Nanophotonics and Optical Nanomaterials, (3) Soft, Biological and Composite Nanomaterials, and (4) Theory and Simulation of Nanoscale Phenomena.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

Northeastern Regional Center of the DOE's National Institute for Climatic Change Research (Final Report)

Administration of the NERC of NICCR began at Penn State in December of 2005 and ended in December of 2011. During that time, five requests for proposals were released and five rounds of proposals were reviewed, awarded and administered. Throughout this award, 203 pre-proposals have been received by the NERC in five RFPS and 110 full proposals invited. Of the 110 full proposals reviewed, 53 were funded (most in full, some partially) resulting in 51 subcontracts. These awards were distributed among 17 universities and 3 non-governmental research institutes. Full proposals have been received from 29 universities and 5 non-governmental research institutes. Research activities have now been completed.

54 ENVIRONMENTAL SCIENCES↗

Flex Fuel Optimized SI and HCCI Engine

The central objective of the proposed work is to demonstrate an HCCI (homogeneous charge compression ignition) capable SI (spark ignited) engine that is capable of fast and smooth mode transition between SI and HCCI combustion modes. The model-based control technique was used to develop and validate the proposed control strategy for the fast and smooth combustion mode transition based upon the developed control-oriented engine; and an HCCI capable SI engine was designed and constructed using production ready two-step valve-train with electrical variable valve timing actuating system. Finally, smooth combustion mode transition was demonstrated on a metal engine within eight engine cycles. The Chrysler turbocharged 2.0L I4 direct injection engine was selected as the base engine for the project and the engine was modified to fit the two-step valve with electrical variable valve timing actuating system. To develop the model-based control strategy for stable HCCI combustion and smooth combustion mode transition between SI and HCCI combustion, a control-oriented real-time engine model was developed and implemented into the MSU HIL (hardware-in-the-loop) simulation environment. The developed model was used to study the engine actuating system requirement for the smooth and fast combustion mode transition and to develop the proposed mode transition control strategy. Finally, a single cylinder optical engine was designed and fabricated for studying the HCCI combustion characteristics. Optical engine combustion tests were conducted in both SI and HCCI combustion modes and the test results were used to calibrate the developed control-oriented engine model. Intensive GT-Power simulations were conducted to determine the optimal valve lift (high and low) and the cam phasing range. Delphi was selected to be the supplier for the two-step valve-train and Denso to be the electrical variable valve timing system supplier. A test bench was constructed to develop control strategies for the electrical variable valve timing (VVT) actuating system and satisfactory electrical VVT responses were obtained. Target engine control system was designed and fabricated at MSU for both single-cylinder optical and multi-cylinder metal engines. Finally, the developed control-oriented engine model was successfully implemented into the HIL simulation environment. The Chrysler 2.0L I4 DI engine was modified to fit the two-step vale with electrical variable valve timing actuating system. A used prototype engine was used as the base engine and the cylinder head was modified for the two-step valve with electrical VVT actuating system. Engine validation tests indicated that cylinder #3 has very high blow-by and it cannot be reduced with new pistons and rings. Due to the time constraint, it was decided to convert the four-cylinder engine into a single cylinder engine by blocking both intake and exhaust ports of the unused cylinders. The model-based combustion mode transition control algorithm was developed in the MSU HIL simulation environment and the Simulink based control strategy was implemented into the target engine controller. With both single-cylinder metal engine and control strategy ready, stable HCCI combustion was achived with COV of 2.1% Motoring tests were conducted to validate the actuator transient operations including valve lift, electrical variable valve timing, electronic throttle, multiple spark and injection controls. After the actuator operations were confirmed, 15-cycle smooth combustion mode transition from SI to HCCI combustion was achieved; and fast 8-cycle smooth combustion mode transition followed. With a fast electrical variable valve timing actuator, the number of engine cycles required for mode transition can be reduced down to five. It was also found that the combustion mode transition is sensitive to the charge air and engine coolant temperatures and regulating the corresponding temperatures to the target levels during the combustion mode transition is the key for a smooth combustion mode transition. As a summary, the proposed combustion mode transition strategy using the hybrid combustion mode that starts with the SI combustion and ends with the HCCI combustion was experimentally validated on a metal engine. The proposed model-based control approach made it possible to complete the SI-HCCI combustion mode transition within eight engine cycles utilizing the well controlled hybrid combustion mode. Without intensive control-oriented engine modeling and HIL simulation study of using the hybrid combustion mode during the mode transition, it would be impossible to validate the proposed combustion mode transition strategy in a very short period.

33 ADVANCED PROPULSION SYSTEMS↗

Hamiltonian Formulations and Momentum Conservation Laws of Reduced Plasma Models (Final Report for Research supported by US DoE grant DE-SC0006721)

A final report is presented on research carried out by Alain J. Brizard (Principal Investigator) with funding provided by the U.S. DoE grant No. DE-SC0006721 during the period of 08/01/2011 to 07/31/2014.The overall goal of this project is to investigate the Hamiltonian structure and momentum conservation laws of several reduced plasma models used for the analytical and numerical studies of long-time-scale turbulent transport processes in strongly magnetized plasmas. The reduced plasma models considered in the proposed activity (associated with the asymptotic elimination of the fast gyromotion time scale) are the guiding-center and gyrokinetic Vlasov-Maxwell equations and the nonlinear gyrofluid equations. The proposed research activity is divided into three parts: Part I - We propose to explore the Vlasov-Maxwell functional bracket for the guiding-center Vlasov-Maxwell equations and extend its applications to the gyrokinetic Vlasov-Maxwell equations. Part II - We propose to develop a new Hamiltonian Lie-transform perturbation method for fields (i.e., in the infinite-dimensional space of functions) in terms of the functional brackets for reduced plasma models developed in Part I of this proposal. Part III - We propose to investigate the exact momentum and angular-momentum conservation laws for several reduced plasma models. In particular, the reduced angular-momentum conservation laws derived from our reduced plasma models contain the effects of intrinsic (spin) angular momentum associated with the process of dynamical reduction.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Partnership for Edge Physics Simulation (EPSI)

We propose to develop advanced simulation codes, based upon an extreme parallelism, first principles kinetic approach, to address the challenges associated with the edge region of magnetically confined plasmas. This work is relevant to both existing magnetic fusion facilities and essential for next-generation burning plasma experiments, such as ITER where success is critically dependent upon H-mode operation achieving an edge pedestal of sufficient height for good core plasma performance without producing deleterious large scale edge localized instabilities. The plasma edge presents a well-known set of multi-physics, multi-scale problems involving complex 3D magnetic geometry. Perhaps the greatest computational challenge is the lack of scale separation – temporal scales for drift waves, Alfven waves, ELM dynamics for example have strong overlap. Similar overlap occurs on the spatial scales for the ion poloidal gyro-radius, drift wave and pedestal width. The traditional approach of separating fusion problems into weakly interacting spatial or temporal domains clearly breaks down in the edge. A full kinetic model (full-f model) must be solved to understand and predict the edge physics including non-equilibrium thermodynamic issues arising from the magnetic topology (the open field lines producing a spatially sensitive velocity hole), plasma wall interactions, neutral and atomic physics. The plan here is to model these phenomena within a comprehensive first principles set of equations without the need for the insurmountable multiple-codes coupling issues by building on the XGC1 code developed under the SciDAC Proto-FSP Center for Plasma Edge Simulation (CPES). This proposal includes the critical participants in the XGC1 development. We propose enhancing the capability of XGC1 by including all the important turbulence physics contained in kinetic ion and electron electromagnetic dynamics, by extending the PIC technology to incorporate several positive features found in the Eulerian grid technology, combining the coarse grained XGC0 code into it with a multiscale projective time integration technique to be developed in the project for experimental time scale simulation of the edge multi-physics, and by implementing modern computational technologies to move forward with the extreme scale heterogeneous hardware/software platform development. Ultra-fast edge localized instabilities, involving compressional Alven modes, will be studied using a proper MHD or two-fluid codes employing kinetic closure information from XGC. The proposed research integrates the most important physical processes on overlapping temporal and spatial scales, to study (i) transitions and thresholds for enhanced confinement regimes, (ii) the predictive understanding of the edge pedestal formation, structure and dynamics, (iii) the effect of the edge plasma on the core confinement, (iv) the physics of Edge Localized Modes and their suppression or mitigation via external control techniques, and (v) the heat load on the material wall. Our approach will implement physical models that are valid in their relevant collisionality regimes for current experiments and future burning plasma devices. Comparisons with experimental data will be made at multiple levels including characterization of turbulence dynamics, flux-gradient responses in the energy, particle and momentum channels, and observations of global phenomena such as L-H transitions, momentum generation, ELM dynamics, ELM-free regimes and the tokamak density limit. The proposal team has established strong connections, through joint membership, with other organizations that will be critical for success. These include FASTMath, SUPER and QUEST Institutes respectively for meshing tools and solvers; code performance tuning and uncertainty quantification as well as a proposed Data Management and Visualization Institute.. We will also be teaming with ongoing fusion SciDAC’s: CSWPI for RF-edge plasmas interactions; CEMM for the M3D MHD simulations and with PEPSC for incorporation of energetic particle physics. Finally, the team includes representatives from each of the major U.S. experimental facilities who will coordinate the validation program and the development of synthetic diagnostics.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Wavelength Dispersive X-ray Fluorescence Analysis of Actinides in Dissolved Nuclear Fuels

There is an urgent need for an instrument that can quickly measure the concentration of Plutonium and other Actinides mixed with Uranium in liquids containing dissolved spent fuel rods. Parallax Research, Inc. proposes to develop an x-ray spectrometer capable of measuring U, Np and Pu in dissolved nuclear fuel rod material to less than 10 ppm levels to aid in material process control for these nuclear materials. Due to system noise produced by high radioactivity, previous x-ray spectrometers were not capable of low level measurements but the system Parallax proposed has no direct path for undesired radiation to get to the detector and the detector in the proposed device is well shielded from scatter and has very low dark current. In addition, the proposed spectrometer could measure these three elements simultaneously, also measuring background positions with an energy resolution of roughly 100 eV making it possible to see a small amount of Pu that would be hidden under the tail of the U peak in energy dispersive spectrometers. Another nearly identical spectrometer could be used to target Am and Cm if necessary. The proposed spectrometer needs only a tiny sample of roughly 1 micro-liter (1 mm 3 ) and the measurement can be done with the liquid flowing in a radiation and chemical immune quartz capillary protected by a stainless steel rod making it possible to continuously monitor the liquid or to use a capillary manifold to measure other liquid streams. Unlike other methods such as mass spectroscopy where the sample must be taken to a remote facility and might take days for turn-around, the proposed measurement should take less than an hour. This spectrometer could enable near real-time measurement of U, Pu and Np in dilute dissolved spent nuclear fuel rod streams.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Investigation of dynamics of ELM crashes and their mitigation techniques

The accurate prediction of H-mode pedestal dynamics is critical for planning experiments in existing tokamaks and in the design of future tokamaks such as ITER and DEMO. The main objective of the proposed research is to advance the understanding of the physics of H-mode pedestal. Through advances in coupled kinetic-MHD simulations, a new model for H-mode pedestal and ELM crashes as well as an improved model for the bootstrap current will be developed. ELMmitigation techniques will also be investigated. The proposed research will help design efficient confinement scenarios and reduce transient heat loads on the divertor and plasma facing components. During the last two years, the principal investigator (PI) of this proposal actively participated in physics studies related to the DOE Joint Research Targets. These studies include the modeling of divertor heat load in the DIII-D, Alcator C-Mod, and NSTX tokamaks in 2010, and the modeling of H-mode pedestal structure in the DIII-D tokamak in 2011. It is proposed that this close collaboration with experimentalists from major US tokamaks continue during the next funding period. Verification and validation will be a strong component of the proposed research. During the course of the project, advances will be made in the following areas; Dynamics of the H-mode pedestal buildup and recovery after ELM crashes – The effects of neutral fueling, particle and thermal pinches will be explored; Dynamics of ELM crashes in realistic tokamak geometries – Heat loads associated with ELM crashes will be validated against experimental measurements. An improved model for ELM crashes will be developed; ELM mitigation – The effect of resonant magnetic perturbations on ELMs stability and their evolution will be investigated; Development of a new bootstrap current model – A reduced model for will be developed through careful verification of existing models for bootstrap current against first-principle kinetic neoclassical simulations. The primary focus here will be on plasma regimes where the existing reduced models deviate from each other, such as high-beta and low aspect ratio plasmas; and Results will be verified against analytical models and simulation results from other codes. Simulation results will be compared with diagnostic experimental data such as Thomson measurements (HRTC) or flux measurements if available. We have arrangements with experimentalists from DIII-D and JET to use diagnostic edge data for this validation. In summary, we propose to study the H-mode pedestal buildup, the stability and evolution of ELMs using a model that will account for dynamically evolving neoclassical sources.

42 ENGINEERING↗