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Mirror monochromator

In this SBIR project, Electron Optica, Inc. (EOI) is developing a mirror electron monochromator (MirrorChrom) attachment to new and retrofitted electron microscopes (EMs) for improving the energy resolution of the EM from the characteristic range of 0.2-0.5 eV to the range of 10-50 meV. This improvement will enhance the characterization of materials by imaging and spectroscopy. In particular, the monochromator will refine the energy spectra characterizing materials, as obtained from transmission EMs [TEMs] fitted with electron spectrometers, and it will increase the spatial resolution of the images of materials taken with scanning EMs (SEMs) operated at low voltages. EOI’s MirrorChrom technology utilizes a magnetic prism to simultaneously deflect the electron beam off the axis of the microscope column by 90° and disperse the electrons in proportional to their energies into a module with an electron mirror and a knife-edge. The knife-edge cuts off the tails of the energy distribution to reduce the energy spread of the electrons that are reflected, and subsequently deflected, back into the microscope column. The knife-edge is less prone to contamination, and thereby charging, than the conventional slits used in existing monochromators, which improves the reliability and stability of the module. The overall design of the MirrorChrom exploits the symmetry inherent in reversing the electron trajectory in order to maintain the beam brightness – a parameter that impacts how well the electron beam can be focused downstream onto a sample. During phase I, EOI drafted a set of candidate monochromator architectures and evaluated the trade-offs between energy resolution and beam current to achieve the optimum design for three particular applications with market potential: increasing the spatial resolution of low voltage SEMs, increasing the energy resolution of low voltage TEMs (beam energy of 5-20 keV), and increasing the energy resolution of conventional TEMs (beam energy of 80-120 keV). Specialized software packages that have been developed by MEBS, Ltd. were used to calculate the electron optical properties of the key monochromator components: namely, the magnetic prism, the electron mirror, and the electron lenses. In the final step, these results were folded into a model describing the key electron-optical parameters of the complete monochromator. The simulations reveal that the mirror monochromator can reduce the energy spread of a Schottky electron source, an established electron emitter used widely in EMs, to 10 meV for practical beam current values and that further reduction of the energy spread down to 3 meV is possible for low current applications with a Cold Field Emitter (an electron source with 10x the brightness of a Schottky source). MirrorChroms can be designed and built to attach to different types of TEMs and SEMs, thus making them suitable for enhancing the study of the structure, composition, and bonding states of new materials at the nanoscale to advance material science research in the field of nanotechnology as well as biomedical research.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Development and Implementation of Fault-Correction Algorithms in Fault Detection and Diagnostics Tools

A fault detection and diagnostics (FDD) tool is a type of energy management and information system that continuously identifies the presence of faults and efficiency improvement opportunities through a one-way interface to the building automation system and the application of automated analytics. Building operators on the leading edge of technology adoption use FDD tools to enable median whole-building portfolio savings of 8%. Although FDD tools can inform operators of operational faults, currently an action is always required to correct the faults to generate energy savings. A subset of faults, however, such as biased sensors, can be addressed automatically, eliminating the need for staff intervention. Automating this fault “correction” can significantly increase the savings generated by FDD tools and reduce the reliance on human intervention. Doing so is expected to advance the usability and technical and economic performance of FDD technologies. This paper presents the development of nine innovative fault auto-correction algorithms for Heating, Ventilation, and Air Conditioning pi(HVAC) systems. When the auto-correction routine is triggered, it overwrites control setpoints or other variables to implement the intended changes. It also discusses the implementation of the auto-correction algorithms in commercial FDD software products, the integration of these strategies with building automation systems and their preliminary testing.

field testing↗

Evaluation of a commercial automatic treatment planning system for prostate cancers

Recent developments in Radiation Oncology treatment planning have led to the development of software packages that facilitate automated intensity-modulated radiation therapy (IMRT) and volumetric-modulated arc therapy (VMAT) planning. Such solutions include site-specific modules, plan library methods, and algorithm-based methods. In this study, the plan quality for prostate cancer generated by the Auto-Planning module of the Pinnacle{sup 3} radiation therapy treatment planning system (v9.10, Fitchburg, WI) is retrospectively evaluated. The Auto-Planning module of Pinnacle{sup 3} uses a progressive optimization algorithm. Twenty-three prostate cancer cases, which had previously been planned and treated without lymph node irradiation, were replanned using the Auto-Planning module. Dose distributions were statistically compared with those of manual planning by the paired t-test at 5% significance level. Auto-Planning was performed without any manual intervention. Planning target volume (PTV) dose and dose to rectum were comparable between Auto-Planning and manual planning. The former, however, significantly reduced the dose to the bladder and femurs. Regression analysis was performed to examine the correlation between volume overlap between bladder and PTV divided by the total bladder volume and resultant V70. The findings showed that manual planning typically exhibits a logistic way for dose constraint, whereas Auto-Planning shows a more linear tendency. By calculating the Akaike information criterion (AIC) to validate the statistical model, a reduction of interoperator variation in Auto-Planning was shown. We showed that, for prostate cancer, the Auto-Planning module provided plans that are better than or comparable with those of manual planning. By comparing our results with those previously reported for head and neck cancer treatment, we recommend the homogeneous plan quality generated by the Auto-Planning module, which exhibits less dependence on anatomic complexity.

61 RADIATION PROTECTION AND DOSIMETRY↗

Radiation Simulation using Wi-Fi Signal Strength and Frequency

For routine radiological operations, lost radioactive sources, decommissioning and cleanup of nuclear facilities, and radiological terrorist events such as Radioactive Dispersive Devices (RDDs) or Radiological Exposure Devices (REDs), individuals are tasked with accurately locating both point and distributed sources of radiation. Radiation workers must often practice these tasks, whether part of initial training or periodically as part of formal or informal exercises or drills. In such circumstances, it is desirable to have an accurate recreation of a radioactive source, including a method of detecting it, which does not include dangerous amounts of radiation. The goal of this research was to develop a radiation simulation technology that uses IEEE 802.11x W-LAN protocol, i.e. Wi-Fi sources and detectors for these, as an inexpensive, precise and accurate method of replicating sources of gamma radiation. For this work, existing 802.11x sources were used. Software was developed for use with an Android smartphone to detect the presence of these sources. The measurements followed the expected behavior as a function of distance from the sources, mimicking that of gamma radiation, thus demonstrating the fundamental principle of operation. The ultimate system will be used in an outreach program to interest students in the radiation protection field.

07 ISOTOPE AND RADIATION SOURCES↗

Algorithm and Software for Calculating Optimal Regimes of the Process Water Supply System at the Kalininskaya NPP{sup 1}

An algorithm and software for calculating the optimal operating regimes of the process water supply system at the Kalininskaya NPP are described. The parameters of the optimal regimes are determined for time varying meteorological conditions and condensation loads of the NPP. The optimal flow of the cooling water in the turbines is determined computationally; a regime map with the data on the optimal water consumption distribution between the coolers and displaying the regimes with an admissible heat load on the natural cooling lakes is composed. Optimizing the cooling system for a 4000-MW NPP will make it possible to conserve at least 155,000 MW · h of electricity per year. The procedure developed can be used to optimize the process water supply systems of nuclear and thermal power plants.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Π4U: A high performance computing framework for Bayesian uncertainty quantification of complex models

We present Π4U,{sup 1} an extensible framework, for non-intrusive Bayesian Uncertainty Quantification and Propagation (UQ+P) of complex and computationally demanding physical models, that can exploit massively parallel computer architectures. The framework incorporates Laplace asymptotic approximations as well as stochastic algorithms, along with distributed numerical differentiation and task-based parallelism for heterogeneous clusters. Sampling is based on the Transitional Markov Chain Monte Carlo (TMCMC) algorithm and its variants. The optimization tasks associated with the asymptotic approximations are treated via the Covariance Matrix Adaptation Evolution Strategy (CMA-ES). A modified subset simulation method is used for posterior reliability measurements of rare events. The framework accommodates scheduling of multiple physical model evaluations based on an adaptive load balancing library and shows excellent scalability. In addition to the software framework, we also provide guidelines as to the applicability and efficiency of Bayesian tools when applied to computationally demanding physical models. Theoretical and computational developments are demonstrated with applications drawn from molecular dynamics, structural dynamics and granular flow.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Hydrogen Risk Assessment Models (HyRAM) (V.3.1) (Technical Reference Manual)

The HyRAM software toolkit provides a basis for conducting quantitative risk assessment and consequence modeling for hydrogen infrastructure and transportation systems. HyRAM is designed to facilitate the use of state-of-the-art science and engineering models to conduct robust, repeatable assessments of hydrogen safety, hazards, and risk. HyRAM includes generic probabilities for hydrogen equipment failures, probabilistic models for the impact of heat flux on humans and structures, and experimentally validated first-order models of hydrogen release and flame physics. HyRAM integrates deterministic and probabilistic models for quantifying accident scenarios, predicting physical effects, and characterizing hydrogen hazards (thermal effects from jet res, overpressure effects from deflagrations), and assessing impact on people and structures. HyRAM is developed at Sandia National Laboratories for the U.S. Department of Energy to increase access to technical data about hydrogen safety and to enable the use of that data to support development and revision of national and international codes and standards. HyRAM is a research software in active development and thus the models and data may change. This report will be updated at appropriate developmental intervals. This document provides a description of the methodology and models contained in HyRAM version 3.1. There have been several impactful updates since version 3.0. HyRAM 3.1 contains a correction to use the volume fraction for two-phase speed of sound calculations; this only affects cryogenic releases in which two-phase ow (vapor and liquid) is predicted in the orifice. Other changes include clarifications that inputs for tank pressure should be given in absolute pressure, not gauge pressure. Additionally, the interface now rejects invalid inputs to probability distributions, and the less accurate single-point radiative source model selection was removed from the interface.

08 HYDROGEN↗

Deliverable 6.7-Final Technical Report: Development Summary and Evaluation of the Solar Uncertainty Integrator (SUNI) Software

The Data Quality and Uncertainty Integration Project was a three-year effort to address stakeholder needs for assessing solar radiation resource data quality based on existing tools for estimating radiometer measurement uncertainties and assessing post-measurement data quality. The annual research objectives for the project addressed a logical progression of effort needed to achieve the ultimate project goal of developing the Solar Uncertainty Integrator (SUNI) software. This final technical report summarizes the development process for achieving these key research objectives and addresses the outreach and code development efforts in the final year of the project to develop a new solar irradiance data uncertainty integration software package.

14 SOLAR ENERGY↗

New approach based on group technology for the consolidation problem in cloud computing-mathematical model and genetic algorithm

Resource management is a hotspot issue in distributed systems like cloud computing (CC). It means how to prepare the computational resources, i.e., servers and virtual machines (VMS), to execute the tasks. This paper offers a new approach based on Group Technology (GT)—known as a powerful philosophy for the resource management in cellular manufacturing systems—to deal with the resource management problem in CC. We develop a mathematical model to optimally consolidate the VMs, servers and tasks simultaneously to control several important factors such as task migrations and server load variation, as well as the number of VMs. To test the validity of our proposed model, several small problems are generated randomly and solved by LINGO 9 software. Furthermore, to cope with larger problems, which cannot be solved optimally, a genetic algorithm is proposed. We, finally, compare our methods with the most well-known algorithms in this context, round robin (RR) and first-come, first-served (FCFS) algorithms.

97 MATHEMATICS AND COMPUTING↗

A Scalable Online Monitoring System Based on Elasticsearch for Distributed Data Acquisition in Cms

The part of the CMS Data Acquisition (DAQ) system responsible for data readout and event building is a complex network of interdependent distributed applications. To ensure successful data taking, these programs have to be constantly monitored in order to facilitate the timeliness of necessary corrections in case of any deviation from specified behaviour. A large number of diverse monitoring data samples are periodically collected from multiple sources across the network. Monitoring data are kept in memory for online operations and optionally stored on disk for post-mortem analysis. We present a generic, reusable solution based on an open source NoSQL database, Elasticsearch, which is fully compatible and non-intrusive with respect to the existing system. The motivation is to benefit from an off the-shelf software to facilitate the development, maintenance and support efforts. Elasticsearch provides failover and data redundancy capabilities as well as a programming language independent JSON-over-HTTP interface. The possibility of horizontal scaling matches the requirements of a DAQ monitoring system. The data load from all sources is balanced by redistribution over an Elasticsearch cluster that can be hosted on a computer cloud. In order to achieve the necessary robustness and to validate the scalability of the approach the above monitoring solution currently runs in parallel with an existing in-house developed DAQ monitoring system.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Application of the gamma evaluation method in Gamma Knife film dosimetry

Purpose: Gamma Knife (GK) radiosurgery is a minimally invasive surgical technique for the treatment of intracranial lesions. To minimize neurological deficits, submillimeter accuracy is required during treatment delivery. In this paper, the delivery accuracy of GK radiosurgery was assessed with the gamma evaluation method using planning dose distribution and film measurement data. Methods: Single 4, 8, and 16 mm and composite shot plans were developed for evaluation using the GK Perfexion (PFX) treatment planning system (TPS). The planning dose distributions were exported as digital image communications in medicine - radiation therapy (DICOM RT) files using a new function of GK TPS. A maximum dose of 8 Gy was prescribed for four test plans. Irradiation was performed onto a spherical solid water phantom using Gafchromic EBT2 films in the axial and coronal planes. The exposed films were converted to absolute dose based on a 4th-order polynomial calibration curve determined using ten calibration films. The film measurement results and planning dose distributions were registered for further analysis in the same Leksell coordinate using in-house software. The gamma evaluation method was applied to two dose distributions with varying spatial tolerance (0.3-2.0 mm) and dosimetric tolerance (0.3-2.0%), to verify the accuracy of GK radiosurgery. The result of gamma evaluation was assessed using pass rate, dose gamma index histogram (DGH), and dose pass rate histogram (DPH). Results: The 20, 50, and 80% isodose lines found in film measurements were in close agreement with the planning isodose lines, for all dose levels. The comparison of diagonal line profiles across the axial plane yielded similar results. The gamma evaluation method resulted in high pass rates of >95% within the 50% isodose line for 0.5 mm/0.5% tolerance criteria, in both the axial and coronal planes. They satisfied 1.0 mm/1.0% criteria within the 20% isodose line. Our DGH and DPH also showed that low isodose lines exhibited inferior gamma indexes and pass rates compared with higher isodose lines. Conclusions: The gamma evaluation method was applicable to GK radiosurgery. For all test plans, planning dose distribution and film measurement met the tolerance criteria of 0.5 mm/0.5% within the 50% isodose line which are used for marginal dose prescription.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

TU-FG-BRB-05: A 3 Dimensional Prompt Gamma Imaging System for Range Verification in Proton Radiotherapy

Purpose: To report on the initial developments of a clinical 3-dimensional (3D) prompt gamma (PG) imaging system for proton radiotherapy range verification. Methods: The new imaging system under development consists of a prototype Compton camera to measure PG emission during proton beam irradiation and software to reconstruct, display, and analyze 3D images of the PG emission. For initial test of the system, PGs were measured with a prototype CC during a 200 cGy dose delivery with clinical proton pencil beams (ranging from 100 MeV – 200 MeV) to a water phantom. Measurements were also carried out with the CC placed 15 cm from the phantom for a full range 150 MeV pencil beam and with its range shifted by 2 mm. Reconstructed images of the PG emission were displayed by the clinical PG imaging software and compared to the dose distributions of the proton beams calculated by a commercial treatment planning system. Results: Measurements made with the new PG imaging system showed that a 3D image could be reconstructed from PGs measured during the delivery of 200 cGy of dose, and that shifts in the Bragg peak range of as little as 2 mm could be detected. Conclusion: Initial tests of a new PG imaging system show its potential to provide 3D imaging and range verification for proton radiotherapy. Based on these results, we have begun work to improve the system with the goal that images can be produced from delivery of as little as 20 cGy so that the system could be used for in-vivo proton beam range verification on a daily basis.

60 APPLIED LIFE SCIENCES↗

High-Energy X-Ray Diffraction Microscopy in Materials Science

High-energy diffraction microscopy (HEDM) is an implementation of three-dimensional X-ray diffraction microscopy. HEDM yields maps of internal crystal orientation fields, strain states, grain shapes and locations as well as intragranular orientation distributions, and grain boundary character. Because it is nondestructive in hard materials, notably metals and ceramics, HEDM has been used to study responses of these materials to external fields including high temperature and mechanical loading. Currently available sources and detectors lead to a spatial resolution of ~1 μm and an orientation resolution of <0.1°. With the penetration characteristic of high energies ( E ≥ 50 keV), sample cross-section dimensions of ~1 mm can be studied in materials containing elements across much of the Periodic Table. This review describes hardware and software associated with HEDM as well as examples of applications. Overall, these applications include studies of grain growth, recrystallization, texture development, orientation gradients, deformation twinning, annealing twinning, plastic deformation, and additive manufacturing. We also describe relationships to other X-ray-based methods as well as prospects for further development.

36 MATERIALS SCIENCE↗

Modeling of GE Appliances in GridLAB-D: Peak Demand Reduction

The widespread adoption of demand response enabled appliances and thermostats can result in significant reduction to peak electrical demand and provide potential grid stabilization benefits. GE has developed a line of appliances that will have the capability of offering several levels of demand reduction actions based on information from the utility grid, often in the form of price. However due to a number of factors, including the number of demand response enabled appliances available at any given time, the reduction of diversity factor due to the synchronizing control signal, and the percentage of consumers who may override the utility signal, it can be difficult to predict the aggregate response of a large number of residences. The effects of these behaviors can be modeled and simulated in open-source software, GridLAB-D, including evaluation of appliance controls, improvement to current algorithms, and development of aggregate control methodologies. This report is the first in a series of three reports describing the potential of GE's demand response enabled appliances to provide benefits to the utility grid. The first report will describe the modeling methodology used to represent the GE appliances in the GridLAB-D simulation environment and the estimated potential for peak demand reduction at various deployment levels. The second and third reports will explore the potential of aggregated group actions to positively impact grid stability, including frequency and voltage regulation and spinning reserves, and the impacts on distribution feeder voltage regulation, including mitigation of fluctuations caused by high penetration of photovoltaic distributed generation and the effects on volt-var control schemes.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

Addendum to the REBUS Users Guide: REBUS-PC (V.1.5)

The Department of Energy (DOE) National Nuclear Security Administration (NNSA) Material Management and Minimization (M3) Reactor Conversion Program uses the REBUS-PC computer code to provide reactor physics and core design information such as neutron flux distributions in space, energy, and time, and to track isotopic changes in fuel and neutron absorbers with burnup. REBUS-PC has evolved from the original REBUS code, which was created starting in the 1960’s to study large liquid metal cooled fast reactors. In particular, additional outputs were added to improve user convenience and some inputs were modified to improve the functionality of the software. REBUS and REBUS-PC both model the external cycle, and are very general codes with 1D, 2D, and 3D neutronics capabilities, and with complete fuel shuffling capabilities. REBUS remains an extremely efficient reactor analysis tool for use in fast reactor systems, and so development has continued at Argonne National Laboratory (ANL) to this day for non-thermal reactor applications. While retaining the efficient computational engine of REBUS, REBUS-PC has evolved to its present status with continuous development since 1999. REBUS-PC has numerous changes and enhancements directed toward the needs of the thermal reactor analyst using Windows or Linux-based computational platforms.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Autonomous Energy Systems: Building Reliable, Resilient, and Secure Electrified Communities

Technological changes across energy systems are forcing utilities and operators to reconsider their methods for managing power delivery, but few operators have adopted advanced controls and operational software. Their challenge is that every system has peculiar requirements, and the available solutions are relatively new, untested, and difficult to integrate into an operational environment. Through extensive collaboration with utilities and cooperatives, the National Renewable Energy Laboratory has realized the need for autonomous and optimized management of energy resources, leading to the development of Autonomous Energy Systems, a packaged set of controls that is ready to be integrated into existing control rooms.

automation↗

Physical optics simulations with PHASE for SwissFEL beamlines

PHASE is a software tool for physical optics simulation based on the stationary phase approximation method. The code is under continuous development since about 20 years and has been used for instance for fundamental studies and ray tracing of various beamlines at the Swiss Light Source. Along with the planning for SwissFEL a new hard X-ray free electron laser under construction, new features have been added to permit practical performance predictions including diffraction effects which emerge with the fully coherent source. We present the application of the package on the example of the ARAMIS 1 beamline at SwissFEL. The X-ray pulse calculated with GENESIS and given as an electrical field distribution has been propagated through the beamline to the sample position. We demonstrate the new features of PHASE like the treatment of measured figure errors, apertures and coatings of the mirrors and the application of Fourier optics propagators for free space propagation.

43 PARTICLE ACCELERATORS↗

Development of a Hardware-in-The-Loop Testbed for a Decentralized, Data-Driven Electric Vehicle Charging Control Algorithm

This study presents the design of an electric vehicle (EV)-grid integration (EVGI) hardware test-bed to implement smart EV charging algorithms. Here, the proposed test-bed also allows to create different grid events via flexible integration of other power hardware (e.g., controllable loads and battery energy storage systems) and test their impacts on EV charging. The design uses a real-time digital simulator to realize a complex distribution grid model with primary and secondary networks. A grid simulator physically realizes the selected nodes of the simulated grid to power an actual EV, forming a hardware-in-the-loop (HIL) test setup. The EV-grid integration is demonstrated based on the custom hardware and software implementation of the J1772 charging protocol using dSPACE MicroLabBox, operating as a custom EV Supply Equipment (EVSE). The HIL test-bed features a novel testing platform for accurate implementation and analysis of scalable charging algorithms. To this end, a data-driven, decentralized, model-free charging controller based on the Additive Increase and Multiplicative Decrease (AIMD) algorithm is presented and validated on an EV using the HIL test-bed. We tested the proposed algorithm under various case studies, and presented a comparison study with an existing droop-based, decentralized charging solution. The results showed that the EV successfully performed charging commands generated by the EVSE and regulated its charging power to effectively reduce the system loading caused by high EV penetration.

33 ADVANCED PROPULSION SYSTEMS↗