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At least 163 records · Page 9

Measuring Impact: Evaluating Thermal Zoning Simplification on Energy Efficiency Measures Analysis

Building Energy Modeling (BEM) is a versatile tool for designing, retrofitting, ensuring code compliance, obtaining certifications, qualifying for incentives, and enabling real-time building control. However, capturing all the details of building geometry for thermal zoning can be time-consuming, costly, and sometimes computationally challenging. As a result, modelers have been applying zoning simplification based on factors such as space functions and internal loads, as well as relying on their experience and judgment while adhering to zoning rules outlined in industry standards. Despite the prevalence of this common practice, a notable gap exists in the literature regarding studies quantifying the influence of simplified thermal zoning on the evaluation of Energy Efficiency Measures (EEMs). Recognizing this gap, this paper seeks to contribute to the field by enhancing the understanding of how the simplification of thermal zoning influences the evaluation of EEMs against a baseline design. The study utilized a medium office prototype model with a detailed floor plan featuring over 20 zones per floor covering diverse functional spaces with varying internal loads and occupancy schedules. A standard thermal zoning strategy outlined in ASHRAE Standard 90.1 Appendix G was employed as the simplified zoning method. This strategy condenses the zoning into a core zone and four perimeter zones per floor. It was compared with the detailed zoning approach, which involves one zone per space. Common Energy EEMs, such as enhanced envelope, high-efficiency appliances and equipment, and HVAC controls, were individually implemented and evaluated. The results indicate that the performance comparison between the two zoning methods varies depending on the type of measures considered. Basic measures, such as adding wall insulation, demonstrate similar energy impacts, while advanced HVAC control measures, such as static pressure reset, exhibit a more substantial difference that cannot be overlooked.

Xie, Jiarong↗

SU-E-T-03: 3D GPU-Accelerated Secondary Checks of Radiation Therapy Treatment Plans

Purpose: Redundant treatment verifications in conformal and intensity-modulated radiation therapy techniques are traditionally performed with single point calculations. New solutions can replace these checks with 3D treatment plan verifications. This work describes a software tool (Mobius3D, Mobius Medical Systems) that uses a GPU-accelerated collapsed cone algorithm to perform 3D independent verifications of TPS calculations. Methods: Mobius3D comes with reference beam models for common linear accelerators. The system uses an independently developed collapsed cone algorithm updated with recent enhancements. 144 isotropically-spaced cones are used for each voxel for calculations. These complex calculations can be sped up by using GPUs. Mobius3D calculate dose using DICOM information coming from TPS (CT, RT Struct, RT Plan RT Dose). DVH-metrics and 3D gamma tests can be used to compare both TPS and secondary calculations. 170 patients treated with all common techniques as 3DCFRT (including wedged), static and dynamic IMRT and VMAT have been successfully verified with this solution. Results: Calculation times are between 3–5 minutes for 3DCFRT treatments and 15–20 for most complex dMLC and VMAT plans. For all PTVs mean dose and 90% coverage differences are (1.12±0.97)% and (0.68±1.19)%, respectively. Mean dose discrepancies for all OARs is (0.64±1.00)%. 3D gamma (global, 3%/3 mm) analysis shows a mean passing rate of (97.8 ± 3.0)% for PTVs and (99.0±3.0)% for OARs. 3D gamma pasing rate for all voxels in CT has a mean value of (98.5±1.6)%. Conclusion: Mobius3D is a powerful tool to verify all modalities of radiation therapy treatments. Dose discrepancies calculated by this system are in good agreement with TPS. The use of reference beam data results in time savings and can be used to avoid the propagation of errors in original beam data into our QA system. GPU calculations permit enhanced collapsed cone calculations with reasonable calculation times.

60 APPLIED LIFE SCIENCES↗

Dosimetric quality, accuracy, and deliverability of modulated radiotherapy treatments for spinal metastases

Cancer often metastasizes to the vertebra, and such metastases can be treated successfully using simple, static posterior or opposed-pair radiation fields. However, in some cases, including when re-irradiation is required, spinal cord avoidance becomes necessary and more complex treatment plans must be used. This study evaluated 16 sample intensity-modulated radiation therapy (IMRT) and volumetric-modulated arc therapy (VMAT) treatment plans designed to treat 6 typical vertebral and paraspinal volumes using a standard prescription, with the aim of investigating the advantages and limitations of these treatment techniques and providing recommendations for their optimal use in vertebral treatments. Treatment plan quality and beam complexity metrics were evaluated using the Treatment And Dose Assessor (TADA) code. A portal-imaging–based quality assurance (QA) system was used to evaluate treatment delivery accuracy, and radiochromic film measurements were used to provide high-resolution verification of treatment plan dose accuracy, especially in the steep dose gradient regions between each vertebral target and spinal cord. All treatment modalities delivered approximately the same doses and the same levels of dose heterogeneity to each planning target volume (PTV), although the minimum PTV doses in the vertebral plans were substantially lower than the prescription, because of the requirement that the plans meet a strict constraint on the dose to the spinal cord and cord planning risk volume (PRV). All plans met required dose constraints on all organs at risk, and all measured PTV-cord dose gradients were steeper than planned. Beam complexity analysis suggested that the IMRT treatment plans were more deliverable (less complex, leading to greater QA success) than the VMAT treatment plans, although the IMRT plans also took more time to deliver. The accuracy and deliverability of VMAT treatment plans were found to be substantially increased by limiting the number of monitor units (MU) per beam at the optimization stage, and thereby limiting beam modulation complexity. The VMAT arcs that were optimized with MU limitation had higher QA pass rates as well as higher modulation complexity scores (less complexity), lower modulation indices (less modulation), lower MU per beam, larger beam segments, and fewer small apertures than the VMAT arcs that were optimized without MU limitation. It is recommended that VMAT treatments for vertebral volumes, where the PTV abuts or surrounds the spinal cord, should be optimized with MU limitation. IMRT treatments may be preferable to the VMAT treatments, for dosimetry and deliverability reasons, but may be inappropriate for some patients because of their increased treatment delivery time.

61 RADIATION PROTECTION AND DOSIMETRY↗

Plasma Surface Interactions: Bridging from the Surface to the Micron Frontier through Leadership Class Computing (Final Technical Progress Report)

The performance demands on plasma-facing components (PFCs) in future fusion power plants are beyond the capability of current materials. In defining the plasma-surface interaction (PSI), it is evident that three coupled spatial regions influence PFC materials evolution and performance. These regions consist of (1) the edge and scrape-off layer region of the plasma, (2) the near-surface material response to extreme thermal and particle fluxes under the influence of, and feedback to, the plasma sheath, and (3) the structural material’s response to an intense, 14 MeV peaked neutron spectrum, which produces very high concentrations of transmuted elements through (n,p) and (n,α) reactions and structural material property degradation. The objective of this project is to develop and deploy validated, high-performance simulation tools capable of predicting the performance of tungsten-based plasma-facing components (PFCs) in a burning fusion plasma environment, which includes modeling surface morphology evolution in either erosion or re-deposition regimes, and the recycling of hydrogen species. This requires the development of a leadership-scale computational code to predict PFC behavior that is well integrated to a suite of multiscale modeling techniques to bridge the scales needed to address complex physical and computational issues at the plasma surface interface and the transition region below the surface where neutron damage processes in the bulk dominate material behavior. Successful completion of this project will provide PFC simulation tools to evaluate steady-state performance of tungsten-based PFC and divertor components in burning plasma environments. This will enable the identification of critical experiments to confirm whether practical PFC solutions exist for magnetic fusion energy beyond ITER. More specifically, the research activities within this project focus on two broadly defined research thrusts: 1) Developing a new simulation code, Xolotl-PSI to predict PFC operating lifetime and performance, that is specifically designed to take advantage of leadership class computing facilities; and 2) Integrating and applying discrete particle-based, as well as continuum-based, multiscale modeling techniques to provide scientific discovery of the mechanisms controlling PFC and bulk materials evolution under fusion plasma and 14-MeV neutron exposure; in this thrust, the challenge of scale-bridging between atomistic/microstructural modeling and the continuum-scale of PFC device performance is achieved through multiscale modeling techniques. Throughout the grant period, research at UMass Amherst focused on the atomic-scale analysis of the dynamics and kinetics (transport and reactions) of small mobile helium clusters near surfaces and grain boundaries in plasma-exposed tungsten, as well as the proper parameterization and incorporation of these processes into our SciDAC team’s continuum-level cluster dynamics code (Xolotl). Our work also included characterization of large-scale molecular-dynamics (MD) simulation results of helium implantation into tungsten based on the findings of our analysis and comparisons of Xolotl simulation predictions with the large-scale MD simulation results for Xolotl validation purposes; emphasis was placed on the impact of helium cluster dynamics/kinetics on tungsten surface morphology, near-surface tungsten structure, and helium retention. Furthermore, our work included initiation of a research program on evaluating the impact of structural defects in tungsten due to plasma exposure (such as helium nanobubbles) on tungsten’s thermophysical properties, focusing on lattice thermal conductivity. Our studies contributed to a fundamental understanding of the effects of plasma-surface interactions on the dynamical response of plasma-facing materials in nuclear fusion devices and the development of predictive hierarchical multiscale computational tools for the quantitative description of the material’s dynamical response to plasma exposure.

36 MATERIALS SCIENCE↗

Creep-fatigue Behavior and Damage Accumulation of a Candidate Structural Material for Concentrating Solar Power Solar Thermal Receiver (Final Technical Report)

Creep-fatigue deformation is an important consideration for a thermal receiver in Concentrating Solar Power systems due to the constant static stress or pressure, diurnal cycling, and elevated service temperatures required for efficient operation. An accurate description of the creep-fatigue behavior, not available for five of the six candidate materials, is important for assessment of preliminary designs. This project has provided a detailed analysis of the creep-fatigue behavior and damage accumulation of Alloy 740H, a candidate structural material for a CSP solar thermal receiver to address a critical knowledge barrier for receiver designs identified in the CSP Gen3 Demonstration Roadmap. This project was divided in to three tasks, split between two general categories: Experimental and design methodology. Tasks 1 and 3, relating to the collection of data on Alloy 740H plate and sheet forms, respectively, were performed at the Idaho National Laboratory and used as input to Task 2, the development of design methodology performed at Argonne National Laboratory. Experimental work covered limited tensile and creep testing to fill gaps in available data that is currently available and to demonstrate how the plate of Alloy 740H tested in this work compared to historical data. A more substantial testing program for fatigue and creep-fatigue was performed, with particular emphasis on creep-fatigue as there is little available data and it is necessary to understand the creep-fatigue interaction and develop related design models. This effort includes the development of rules for the design of solar receiver components against high temperature creep-fatigue and ratcheting failure modes. The ASME Code rules for high temperature nuclear components was used to the basis of the method but adjustments will be made to reflect the generally shorter, diurnal operating cycles of thermal receivers and the relative consequences of failure, comparing nuclear to solar components. This work has provided guidance for the design of components for concentrating power facilities operating at high temperatures and undergoing high, secondary thermal stresses relative to the applied primary pressure stress. The design rules were developed for the design of Generation 3 CSP tubular receivers manufactured from Alloy 740H, but are generally applicable to a wide range of component types undergoing similar loads. Procedural design rules for components to be used in conjunction with the 2019 edition of the ASME Boiler & Pressure Vessel Code and the corresponding design data for Alloy 740H have been developed. A commentary describing the rationale behind the design rules and the data underlying the design material properties, as well as an extensive set of worked sample problems detailing the application of the rules to CSP components were developed as a part of this project, with a separate report covering these aspects in detail and included in the Appendix of this report.

14 SOLAR ENERGY↗

SU-E-T-178: Experimental Study of Acceptable Movement Conditions for SBRT Lung Treatments

Purpose: To experimentally study the acceptable movement conditions for SBRT lung treatments we quantified with film dosimetry the change in dose distributions due to periodic movements of 5 different amplitudes and 4 respiratory gating duty cycles on a SBRT treatment plan. Methods: We planned a SBRT treatment plan for the QUASAR™ (Modus Medical) phantom equipped with the respiratory motion device. We placed a 3 mm water-equivalent sphere simulating a tumour inside the lung-equivalent insert. This sphere is divided in two hemispheres that allow placing films in between. We used radiochromic EBT2™ (Ashland) films. We oriented the lung insert in such a way that sagittal dose distributions could be measured. We applied a sinusoidal movement with 3 s period for 5 different amplitudes of 0(static), 5, 7, 10, 15 and 20 mm without gating. For the 20 mm amplitude we studied the gating technique with 4 duty cycles of 20, 40, 60 and 80% of the respiratory cycle. Each situation was irradiated in a Clinac 2100 linac (Varian) equipped with the RPM™ system. FilmQA Pro™ (Ashland) software together with an Expression 10000XL scanner (EPSON) were used to analyze and compare the measured dose distributions with those planned by the Eclipse™ TPS v. 8.9 (Varian) by means of gamma analysis with 6 criteria: 5%/3mm, 5%/2mm, 5%/1mm, 3%/3mm, 3%/2mm and 2%/2mm (threshold of 10%). Results: Movements with amplitude of less than 7mm do not significantly modified the dosimetry. Gating duty cycles of less than 40% yielded also acceptable results for a 2 cm amplitude movement. Conclusion: To safely perform daily accurate SBRT treatments, movements have to be restricted to 7 mm amplitude (±3.5 mm). Otherwise, a gating strategy should be considered.

60 APPLIED LIFE SCIENCES↗

Fundamental radiological and geometric performance of two types of proton beam modulated discrete scanning systems

Purpose: The purpose of this investigation was to compare and contrast the measured fundamental properties of two new types of modulated proton scanning systems. This provides a basis for clinical expectations based on the scanned beam quality and a benchmark for computational models. Because the relatively small beam and fast scanning gave challenges to the characterization, a secondary purpose was to develop and apply new approaches where necessary to do so.Methods: The following performances of the proton scanning systems were investigated: beamlet alignment, static in-air beamlet size and shape, scanned in-air penumbra, scanned fluence map accuracy, geometric alignment of scanning system to isocenter, maximum field size, lateral and longitudinal field uniformity of a 1 l cubic uniform field, output stability over time, gantry angle invariance, monitoring system linearity, and reproducibility. A range of detectors was used: film, ionization chambers, lateral multielement and longitudinal multilayer ionization chambers, and a scintillation screen combined with a digital video camera. Characterization of the scanned fluence maps was performed with a software analysis tool.Results: The resulting measurements and analysis indicated that the two types of delivery systems performed within specification for those aspects investigated. The significant differences were observed between the two types of scanning systems where one type exhibits a smaller spot size and associated penumbra than the other. The differential is minimum at maximum energy and increases inversely with decreasing energy. Additionally, the large spot system showed an increase in dose precision to a static target with layer rescanning whereas the small spot system did not.Conclusions: The measured results from the two types of modulated scanning types of system were consistent with their designs under the conditions tested. The most significant difference between the types of system was their proton spot size and associated resolution, factors of magnetic optics, and vacuum length. The need and benefit of mutielement detectors and high-resolution sensors was also shown. The use of a fluence map analytical software tool was particularly effective in characterizing the dynamic proton energy-layer scanning.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Thermal-hydraulic performance of the TREAT Multi-SERTTA for reactivity initiated accident experiments

Experimental testing in the Multi-Static Environment Rodlet Transient Test Apparatus (SERTTA) will lead the rebirth of transient fuel testing in the United States as part of the Accident Tolerant Fuels (ATF) program. The Multi-SERTTA is comprised of 4 isolated pressurized environments capable of a wide variety of working fluids and thermal conditions. Ultimately, the TREAT reactor as well as the Multi-SERTTA test vehicle serve the purpose of providing desired thermal-hydraulic boundary conditions to the test specimen. The initial ATF testing in TREAT will focus on reactivity insertion accident (RIA) events using both gas and water environments including typical PWR operating pressures and temperatures. The heat transfer conditions during the high energy power pulses of RIA events remains a subject of large uncertainty and great importance for fuel performance predictions. To support transient experiments, the Multi-SERTTA vehicle has been modeled using RELAP5 with a baseline test specimen composed of fresh UO{sub 2} fuel in zircaloy cladding. The results show that for energy depositions less than 1380 J/g-UO{sub 2}, the vessel environment remains sub-supercritical. Two extremes of gap conductance show significant effect on event timing and peak cladding temperature but little effect on end state conditions. Inclusion of oxidation has increasing impact for increasing energy depositions. The effect of oxidation is non-negligible for planned TREAT experiments in the range of explored energy depositions. Pulse width has little impact on thermal hydraulic conditions under the assumptions used in this analysis. The model used in this work has been coupled to the fuel performance code, BISON, to accomplish best estimate predictive capability for Multi-SERTTA experiments. The results show the great flexibility and capacity of the TREAT Multi-SERTTA test vehicle to provide testing under a wide range of prototypic thermal-hydraulic conditions as never done before.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

A Parametric Study of the Adjoint Flux Calculation for TDKENO

TDKENO is a time-dependent transport code designed to simulate reactor transients. One application is to study experiments performed at the Transient Reactor Test Facility (TREAT) at the Idaho National Laboratory (INL). TDKENO solves the time-dependent, three-dimensional Boltzmann transport equation with explicit representation of delayed neutrons. Instead of directly integrating this equation, the Improved Quasi Static (IQS) method is employed. This involves factoring the neutron flux into two components - a rapidly varying (in time) amplitude equation and a slowly varying shape equation. These are solved separately on different time scales. The shape equation is solved using the Monte Carlo transport code KENO, from Oak Ridge National Laboratory's SCALE code package. Using the Monte Carlo method to solve the shape equation is computationally intensive, but the operation is only performed when needed - namely when the reactor system is undergoing a significant change. The amplitude equation is solved deterministically. This operation contains the time dependence and can be calculated relatively quickly, resulting in computational savings. TDKENO begins by solving the adjoint form of the transport equation for use as a weighting function. It uses this adjoint flux for multiple aspects of the simulation, including the calculation of all of the point kinetics parameters . The flux shape is found by solving a modified form of the transport equation in 'forward' mode. This paper examines the effect the adjoint weighting function has on the solution. (authors)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

SU-F-T-463: Light-Field Based Dynalog Verification

Purpose: To independently verify leaf positions in so-called dynalog files for a Varian iX linac with a Millennium 120 MLC. This verification provides a measure of confidence that the files can be used directly as part of a more extensive intensity modulated radiation therapy / volumetric modulated arc therapy QA program. Methods: Initial testing used white paper placed at the collimator plane and a standard hand-held digital camera to image the light and shadow of a static MLC field through the paper. Known markings on the paper allow for image calibration. Noise reduction was attempted with removal of ‘inherent noise’ from an open-field light image through the paper, but the method was found to be inconsequential. This is likely because the environment could not be controlled to the precision required for the sort of reproducible characterization of the quantum noise needed in order to meaningfully characterize and account for it. A multi-scale iterative edge detection algorithm was used for localizing the leaf ends. These were compared with the planned locations from the treatment console. Results: With a very basic setup, the image of the central bank A leaves 15–45, which are arguably the most important for beam modulation, differed from the planned location by [0.38±0.28] mm. Similarly, for bank B leaves 15–45 had a difference of [0.42±0.28] mm Conclusion: It should be possible to determine leaf position accurately with not much more than a modern hand-held camera and some software. This means we can have a periodic and independent verification of the dynalog file information. This is indicated by the precision already achieved using a basic setup and analysis methodology. Currently, work is being done to reduce imaging and setup errors, which will bring the leaf position error down further, and allow meaningful analysis over the full range of leaves.

60 APPLIED LIFE SCIENCES↗

A Hartree-Fock Application Using UPC++ and the New DArray Library

The Hartree-Fock (HF) method is the fundamental first step for incorporating quantum mechanics into many-electron simulations of atoms and molecules, and it is an important component of computational chemistry toolkits like NWChem. The GTFock code is an HF implementation that, while it does not have all the features in NWChem, represents crucial algorithmic advances that reduce communication and improve load balance by doing an up-front static partitioning of tasks, followed by work stealing whenever necessary. To enable innovations in algorithms and exploit next generation exascale systems, it is crucial to support quantum chemistry codes using expressive and convenient programming models and runtime systems that are also efficient and scalable. Here, this paper presents an HF implementation similar to GTFock using UPC++, a partitioned global address space model that includes flexible communication, asynchronous remote computation, and a powerful multidimensional array library. UPC++ offers runtime features that are useful for HF such as active messages, a rich calculus for array operations, hardware-supported fetch-and-add, and functions for ensuring asynchronous runtime progress. We present a new distributed array abstraction, DArray, that is convenient for the kinds of random-access array updates and linear algebra operations on block-distributed arrays with irregular data ownership. Finally, we analyze the performance of atomic fetch-and-add operations (relevant for load balancing) and runtime attentiveness, then compare various techniques and optimizations for each. Our optimized implementation of HF using UPC++ and the DArrays library shows up to 20% improvement over GTFock with Global Arrays at scales up to 24,000 cores.

97 MATHEMATICS AND COMPUTING↗

A dynamic model for assessing the effects of management strategies on the reduction of construction and demolition waste

Highlights: Black-Right-Pointing-Pointer We proposes a model for projecting C and D waste reduction of construction projects. Black-Right-Pointing-Pointer The model can simulate effects of various management strategies on waste reduction. Black-Right-Pointing-Pointer The model integrates all essential variables that affect C and D waste reduction. Black-Right-Pointing-Pointer By using the model, best strategies could be identified before being implemented. - Abstract: During the past few decades, construction and demolition (C and D) waste has received increasing attention from construction practitioners and researchers worldwide. A plethora of research regarding C and D waste management has been published in various academic journals. However, it has been determined that existing studies with respect to C and D waste reduction are mainly carried out from a static perspective, without considering the dynamic and interdependent nature of the whole waste reduction system. This might lead to misunderstanding about the actual effect of implementing any waste reduction strategies. Therefore, this research proposes a model that can serve as a decision support tool for projecting C and D waste reduction in line with the waste management situation of a given construction project, and more importantly, as a platform for simulating effects of various management strategies on C and D waste reduction. The research is conducted using system dynamics methodology, which is a systematic approach that deals with the complexity - interrelationships and dynamics - of any social, economic and managerial system. The dynamic model integrates major variables that affect C and D waste reduction. In this paper, seven causal loop diagrams that can deepen understanding about the feedback relationships underlying C and D waste reduction system are firstly presented. Then a stock-flow diagram is formulated by using software for system dynamics modeling. Finally, a case study is used to illustrate the validation and application of the proposed model. Results of the case study not only built confidence in the model so that it can be used for quantitative analysis, but also assessed and compared the effect of three designed policy scenarios on C and D waste reduction. One major contribution of this study is the development of a dynamic model for evaluating C and D waste reduction strategies under various scenarios, so that best management strategies could be identified before being implemented in practice.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Data Locality Enhancement of Dynamic Simulations for Exascale Computing (Final Report)

The development of modern processors exhibits two trends that complicate the optimizations of modern software. The first is the increasing sensitivity of processors' throughput to irregularities in computation. With more processors produced through a massive integration of simple cores, future systems will increasingly favor regular data-level parallel computations, but deviate from the needs of applications with complex patterns. Some evidences are already shown on Graphic Processing Units (GPU): Irregular data accesses (e.g., indirect references A[D[i]]) and conditional branches are limiting many GPU applications' performance at a level an order of magnitude lower than the peak of GPU. The second hardware trend is the growing gap between memory bandwidth and the aggregate speed—that is, the sum of all cores' computing power—of a Chip Multiprocessor (CMP). Despite the capped growth of the peak CPU speed, the aggregate speed of a CMP keeps increasing as more cores get into a single chip. It is expected that by 2018, node concurrency in an exascale system will increase by hundreds of times, whereas, memory bandwidth will expand by only 10 to 20 times. Consequently, data movement and storage is expected to consume more than 70% of the total system power. Bridging this gap is difficult; the complexities of modern CMP memory hierarchy make it even harder: Data cache becomes shared among computing units, and the sharing is often non-uniform—whether two computing units share a cache depends on their proximity and the level of the cache. On the recent IBM Power7 architecture, for instance, four hardware contexts (or SMT threads) in a core share the entire memory hierarchy, all cores in one chip share an on-chip L3 cache, and cores across chips share L3 and main memory through off-chip connections. These two trends complicate the translation of computing power into performance, especially for a program with either intensive data accesses or complex patterns in data accesses or control flow paths. Unfortunately, both attributes present and will persist in a class of important applications. For instance, many scientific simulations deal with a large volume of data. And meanwhile, as most real-world processes are non-uniform and evolving (e.g., the evolution of a galaxy or the process of a drug injection), both the computations and data accesses of these programs tend to be irregular and dynamically changing. Currently, the lack of support to these applications on modern CMP severely limits their performance. On GPU, as our recent study shows and other studies echo, performance enhancement of a factor of integers is possible when memory accesses or control flows are streamlined for a set of GPU applications. On multicore CPU, our studies show that traditional locality enhancement, for being oblivious to the new features of multicore memory hierarchy, may even cause large slowdown to data-intensive dynamic applications. The severity of the issues is expected to worsen as the two hardware trends continue. Some recent studies try to match software with the trends, but in a limited scope or manner. For irregularities on GPU, most studies focus on irregularities analyzable through static analysis (e.g., data accesses in regular loops). Dynamic irregularities are harder to address because the needed analysis and transformations typically have to happen at run time. Some other research resorts to hardware extensions, an actual adoption of which is unclear for the entailed space cost and complexity. For data locality, recent years have seen some exploitations of the new memory hierarchy on multicore for performance, but most of them are on process or thread scheduling, rather than program transformations. Our recent study reveals that program-level transformations may magnify the scheduling benefits by a factor of seven, concluding that program-level transformation should play a central role for data locality enhancement on modern CMP. But research in this direction has been sparse, and most have focused on data layout or cache performance modeling, rather than program transformations to match with the new memory hierarchy features. Overall, it is still an open question how to bridge the gap between dynamic computations and the two prominent properties of modern processors. The goal of this project is to develop a set of techniques and software tools to enhance the matching between memory accesses in dynamic simulations and the prominent features of modern and future CMP, alleviating the memory performance issues for petascale and exascale computing. This report summarizes the discoveries and products produced throughout this project. It includes free launch, a new software approach to overcoming the shortcomings of both methods; coherence-free multiview, an approach that allows multiple views of a single data object to co-exist on GPU memory during a GPU kernel execution; algorithmic optimizations to data analytics problems, especially those that involve lots of distance calculations. Supporting dynamic parallelism is important for GPU to benefit a broad range of applications. There are currently two fundamental ways for programs to exploit dynamic parallelism on GPU: a software-based approach with software-managed worklists, and a hardware-based approach through dynamic subkernel launches. Neither is satisfactory. The former is complicated to program and is often subject to some load imbalance; the latter suffers large runtime overhead. In this work, we propose free launch, a new software approach to overcoming the shortcomings of both methods. It allows programmers to use subkernel launches to express dynamic parallelism. It employs a novel compiler-based code transformation named subkernel launch removal to replace the subkernel launches with the reuse of parent threads. Coupled with an adaptive task assignment mechanism, the transformation reassigns the tasks in the subkernels to the parent threads with a good load balance. The technique requires no hardware extensions, immediately deployable on existing GPUs. It keeps the programming convenience of the subkernel launch-based approach while avoiding its large runtime overhead. Meanwhile, its superior load balancing makes it outperform manual worklist-based techniques by 3X on average. The work was published at the 48th Annual IEEE/ACM International Symposium on Microarchitecture (Micro'2015). A Graphic Processing Unit (GPU) system is typically equipped with many types of memory (e.g., global, constant, texture, shared, cache). Data placement determines what data are placed on which type of memory, essential for GPU memory performance. Prior optimizations of data placement always require a single view of a data object on memory, which limits the optimization effectiveness. In this work, we propose coherence-free multiview, an approach that allows multiple views of a single data object to co-exist on GPU memory during a GPU kernel execution. We demonstrate that under certain conditions, the multiple views can remain incoherent while facilitating enhanced data placement. We present a theorem and some compiler support to ensure the soundness of the usage of coherence-free multiview. We further develop reference-discerning data placement, a new way to enhance data placements on GPU. It enables more flexible data placements by using coherence-free multiview to leverage the slack in coherence requirement of some GPU programs. Experiments on three types of GPU systems show that, with less than 200KB space cost, the new data placement technique can provide a 1.6X average (up to 4.27X) speedup. In addition, we have examined algorithmic optimizations to data analytics problems, especially those that involve lots of distance calculations. Computing distances among data points is an essential part of many important algorithms in data analytics, graph analysis, and other domains. In each of these domains, developers have spent significant manual effort optimizing algorithms, often through novel applications of the triangle equality, in order to minimize the number of distance computations in the algorithms. In this work, we observe that many algorithms across these domains can be generalized as an instance of a generic distance-related abstraction. Based on this abstraction, we derive seven principles for correctly applying the triangular inequality to optimize distance-related algorithms. Guided by the findings, we develop Triangular OPtimizer (TOP), the first software framework that is able to automatically produce optimized algorithms that either matches or outperforms manually designed algorithms for solving distance-related problems. TOP achieves up to 237x speedups and 2.5X on average. The work has been published at the 32nd International Conference on Machine Learning (ICML'15) and the 41st International Conference on Very Large Data Bases (VLDB'15).

42 ENGINEERING↗

Automating linear accelerator quality assurance

Purpose: The purpose of this study was 2-fold. One purpose was to develop an automated, streamlined quality assurance (QA) program for use by multiple centers. The second purpose was to evaluate machine performance over time for multiple centers using linear accelerator (Linac) log files and electronic portal images. The authors sought to evaluate variations in Linac performance to establish as a reference for other centers. Methods: The authors developed analytical software tools for a QA program using both log files and electronic portal imaging device (EPID) measurements. The first tool is a general analysis tool which can read and visually represent data in the log file. This tool, which can be used to automatically analyze patient treatment or QA log files, examines the files for Linac deviations which exceed thresholds. The second set of tools consists of a test suite of QA fields, a standard phantom, and software to collect information from the log files on deviations from the expected values. The test suite was designed to focus on the mechanical tests of the Linac to include jaw, MLC, and collimator positions during static, IMRT, and volumetric modulated arc therapy delivery. A consortium of eight institutions delivered the test suite at monthly or weekly intervals on each Linac using a standard phantom. The behavior of various components was analyzed for eight TrueBeam Linacs. Results: For the EPID and trajectory log file analysis, all observed deviations which exceeded established thresholds for Linac behavior resulted in a beam hold off. In the absence of an interlock-triggering event, the maximum observed log file deviations between the expected and actual component positions (such as MLC leaves) varied from less than 1% to 26% of published tolerance thresholds. The maximum and standard deviations of the variations due to gantry sag, collimator angle, jaw position, and MLC positions are presented. Gantry sag among Linacs was 0.336 ± 0.072 mm. The standard deviation in MLC position, as determined by EPID measurements, across the consortium was 0.33 mm for IMRT fields. With respect to the log files, the deviations between expected and actual positions for parameters were small (<0.12 mm) for all Linacs. Considering both log files and EPID measurements, all parameters were well within published tolerance values. Variations in collimator angle, MLC position, and gantry sag were also evaluated for all Linacs. Conclusions: The performance of the TrueBeam Linac model was shown to be consistent based on automated analysis of trajectory log files and EPID images acquired during delivery of a standardized test suite. The results can be compared directly to tolerance thresholds. In addition, sharing of results from standard tests across institutions can facilitate the identification of QA process and Linac changes. These reference values are presented along with the standard deviation for common tests so that the test suite can be used by other centers to evaluate their Linac performance against those in this consortium.

60 APPLIED LIFE SCIENCES↗

Initial Efforts Organizing WPNCS SG-8: Preservation of Expert Knowledge and Judgement Applied to Criticality Benchmarks

The Working Party on Nuclear Criticality Safety (WPNCS) under the guidance of the Organization for Economic Co-operation and Development (OECD) Nuclear Energy Agency (NEA) has over 20 years of experience addressing concerns related to static and transient configurations encountered within the nuclear fuel cycle: fuel fabrication, transportation, reprocessing, storage, and geological disposal. One of the cornerstone activities of the WPNCS is the International Criticality Safety Benchmark Evaluation Project (ICSBEP), which was established to identify a comprehensive set of criticality benchmark data, evaluate the data, including quantification of overall uncertainties; compile the data into a standardized format, perform sample calculations utilizing modern nuclear data sets and codes utilized in nuclear criticality safety, and formally document the work into a single source of verified benchmark data. Annually, members of the ICSBEP Technical Review Group (TRG) contribute evaluated benchmark data that undergoes comprehensive technical review prior to publication in the ICSBEP Handbook. In the years since the ICSBEP was established, there has been much work to prepare benchmark data to support validation activities in nuclear criticality safety. The 2020 edition of the ICSBEP Handbook contains acceptable benchmark specifications for 5,053 critical, subcritical, or near-critical configurations in 582 benchmark evaluations. Modern benchmark development benefits from decades of experienced international participants, a well-established handbook format, supplementary guides to deal with uncertainty quantification, and a comprehensive review process based upon independent reviews from international experts. The ICSBEP Handbook also contains 838 configurations deemed unacceptable to support criticality safety efforts. They are recorded, with the reasoning for their rejection, to preserve the experimental data, prevent reevaluation of data that are incomplete or contain known errors, and/or to potentially allow future reevaluation of the experiment pending the identification of sufficient data to resolve identified inconsistencies and errors. Users of the ICSBEP Handbook today might notice that the rigor and quality of modern criticality safety benchmarks is much greater than those prepared within the initial decade of the project. Benchmarks with 1s uncertainties in k eff greater than 1% were traditionally rejected unless they were identified as unique experiment types that encompassed materials, fuels, or designs not available from other benchmark experiments. However, benchmarks developed using modern experimental techniques and practices typically have uncertainties on the order of a few tenths of a percent. There have been ongoing efforts to improve the overall quality of previously published benchmark evaluations. Seventy-eight evaluations, containing approximately 600 configurations, have been revised just within the past decade. An additional eleven benchmarks are under revision for updated release in the 2020 edition of the ICSBEP Handbook. If some of the historic benchmarks were resubmitted in their current form to the TRG today, they would be rejected due to lack of data, missing components in the uncertainty analysis, or incomplete benchmark model development. The use of historic criticality safety benchmarks that underestimate the total uncertainty, lack properly quantified biases, or provide inadequate benchmark specifications do not sufficiently support modern criticality safety and nuclear data efforts. Although the ICSBEP Handbook is recognized by regulating bodies to support criticality safety, users are required to justify their reasons to ignore historic benchmark data and include additional safety margins within their designs. Discussions were held at the WPNCS 23rd Annual Meeting in September 2019 regarding the aforementioned issues. The resultant decision was to establish Subgroup 8 (SG-8): Preservation of Expert Knowledge and Judgement Applied to Criticality Benchmarks. The current activities of SG-8 are discussed herein.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

SU-E-P-55: The Reaserch of Cervical Cancer Delivered with Constant Dose Rate and Gantry Speed Arc Therapy(CDR-CAS-IMAT) On Conventional Linac

Purpose: Postoperative cervical cancer patients with large target volume and the target shape is concave, treatmented with static intensity-modulated radiotherapy (IMRT) is time consuming. The purpose of this study is to investigate using constant dose rate and gantry speed arc therapy(CDR-CAS-IMAT) on conventional linear accelrator, by comparing with the IMRT technology to evaluate the performance of CDR-CAS-IMAT on postoperative cervical cancer patients. Methods: 18 cervical cancer patients treated with IMRT on Varian 23IX were replanted using CDR-CAS-IMAT. The plans were generated on Oncentra v4.1 planning system, PTV was prescribed to 50.4 Gy in 28 fractions. Plans were evaluated based on the ability to meet the dose volume histogram. The homogeneity index (HI), conformity index (CI) of target volume, the dose of organs at risk, radiation delivery time and monitor units were also compared. SPSS 19.0 software paired T-test analysis was carried out on the two sets of data. Results: Compared with the IMRT plans PTV’s CI (t= 3.85, P =0.001), CTV’s CI, HI, D90, D95, D98, V95, V98, V100 (t=4.21, −3.18, 2.13, 4.65, 7.79, 2.29, 6.00, 2.13, p=0.001, 0.005, 0.049, 0.000, 0.000, 0.035, 0.000, 0.049), and cord D2 and rectum V40 (t=−2.65, −2.47, p= P =0.017, 0.025), and treatment time and MU (t=−36.0, −6.26, P =0.000, 0.000) were better than that of IMRT group. But the IMRT plans in terms of decreasing bladder V50, bowel V30 (t=2.14, 3.00, P =0.048, 0.008) and low dose irradiation volume were superior to that of CDR-CAS-IMAT plans. There were no significant differences in other statistical index. Conclusion: Cervical cancer patients with CDR-CAS-IMAT on Varian Clinical 23IX can get equivalent or superior dose distribution compared with the IMRT technology. IMAT have much less treatment time and MU can reduce the uncertainty factor and patient discomfort in treatment. This work was supported by the Medical Science Foundation of the health department of Hebei Province (No. 20130253)

60 APPLIED LIFE SCIENCES↗

Demonstration of Full Core Reactor Depletion with MPACT

MPACT is a three-dimensional (3-D) whole core transport code capable of generating sub-pin level power distributions. This feature is accomplished by obtaining the integral transport solutions to the heterogeneous reactor problem in which the actual detailed geometrical configuration of fuel components such as the pellet and cladding is modelled explicitly.. The cross section data needed for the neutron transport calculation are obtained directly from a multigroup microscopic cross section library similar to those used in lattice physics codes. Hence MPACT involves neither a priori homogenization nor group condensation for the core spatial solution. The integral transport solution is obtained by means of the method of characteristics (MOC) that employs discrete ray tracing. Since the direct application of the 3-D MOC capability in MPACT to 3-D core configuration requires considerable amounts of memory and computing time for practical reactor applications, an alternative approximate 3-D solution method was implemented in MPACT based on a 2D-1D approach which employs planar MOC solutions in the framework of the 3-D coarse mesh finite difference (CMFD) formulation. The axial coupling is resolved by one-dimensional (1-D) diffusion solutions and the planar and axial problems are coupled through the transverse leakage. The use of a lower order 1-D solution in the axial direction is justified by the fact that most heterogeneity in the core occurs in the radial direction rather than the axial. However, it is possible to use one of the higher order methods in MPACT such as the 1-D SN kernel if improved solution accuracy is desired. The CMFD formulation which originally served as an efficient nodal formulation is used in MPACT to accelerate the whole core transport calculation. The basic mesh in the CMFD formulation is a pin cell which is much coarser than the flat source regions defined for MOC calculations. The concept of dynamic homogenization of group constants for the pin cells provides the basis of the CMFD formulation in whole core transport calculation. The intra-cell flux distribution determined from the MOC calculation is used to generate the homogenized cell constants while the MOC cell surface averaged currents are used to determine the radial nodal coupling coefficients. This dynamic implementation of the equivalence theory formulation ensures the same transport solution is obtained with CMFD as the one obtained using unaccelerated MOC calculations alone. The ability of MPACT to predict the Hot, Zero Power (HZP) condition of a reactor was reported in CASL-U-2014-0045-000. The purpose of this report is to demonstrate the capability of MPACT to simulate the operation of a reactor at Hot, Full Power (HFP) conditions during normal operation throughout a full operating cycle. The time scale for a reactor burnup cycle is typically one to two years and therefore short time phenomena such as the effect of delayed neutrons can be neglected. Instead the time dependence can be treated quasi-statically using the depletion algorithm presented in CASL-U-2013-0276-001. The full power operation requires thermal hydraulic feedback to be present during the entire simulation which will utilize the work in CASL-U-2014-0051-000. However, due to the significant computational burden of the coupled physics simulation, a simplified thermal hydraulic model is used for the analysis reported here which is principally intended to demonstrate the full core neutronics depletion. In addition to the thermal hydraulic feedback, the effect of Boron 10 depletion should be modeled in cases where major boron additions are not performed for extended periods of time. Each of these capabilities will be described in the following sections.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Solute effects upon dislocation motion and recovery in Mg alloys (Final Report)

The objective the research was to develop a firmer understanding of the interactions between substitutional solute atoms and dislocations within Mg alloys. These interactions govern the absolute and relative mobilities of various types of dislocations in Mg (e.g., basal < a>, non-basal < a>, and pyramidal < c+a>). Furthermore, they have an impact on dislocation recovery processes (e.g., cross-glide, climb, rearrangement, and annihilation). Ultimately, solute-dislocation interactions strongly impact a) strain hardening, b) strain rate sensitivity, c) plastic anisotropy of textured polycrystals, d) texture evolution, e) dislocation substructures evolution, and even f) recrystallization behavior. It is broadly known that Mg alloys exhibit poor low temperature formability. Since formability is largely governed by properties (a) – (c) in this list, it is critical to develop a better understanding of solute-dislocation interactions, if one hopes to improve the situation. While the theory of static solute strengthening is well developed, especially for alloys with face centered cubic (FCC) crystal structures, there are outstanding questions related to applications to hexagonal close packed (HCP) crystal structures and dynamic strain aging (DSA) in materials of various structures. DSA has far-reaching implications for metal formability and, in the case of Mg alloys, appears to correlate with the so-called rare-earth (RE) texture which has been shown to benefit formability. The Portevin-Le Chatelier (PLC) effect, and associated negative strain rate sensitivity, occur at higher temperatures (>100℃) in Mg alloys as compared with similar Al alloys, even though they have similar melting points and solute diffusivities. Our preliminary research has shown that modern, physics-based models of DSA can be tuned to describe the behavior of Mg alloys if a rather higher activation enthalpy is assumed for cross-core diffusivity. While this partially explains the delay in DSA to higher temperatures, it is also hypothesized that this delay is due in part to the intrinsically more thermally activated (rate sensitive) nature of non-basal < a> dislocation motion which is required for macroscopic flow of Mg alloys, whereas octahedral slip in many FCC metals like aluminum is essentially athermal at room temperature. It was originally proposed to employ a combination of in-situ diffraction-based experimental characterization to validate existing theory. It was envisioned to perform in-situ transmission electron microscopy (TEM) to assess individual dislocation behavior and in-situ high-energy X-ray diffraction (HEXRD) techniques which were showing great promise for elucidating collective dislocation behavior, 2 including recovery, especially if the contributions to various forms of diffraction peak broadening (𝜂𝜂,𝜔𝜔,and 2𝜃𝜃) can be effectively integrated. Finally, it was envisioned to perform discrete dislocation dynamics (DDD) modeling approaches to aide in the interpretation of both TEM and HEXRD experiments. In the end, mechanical tests were performed on more complex Mg alloys which exhibited evidence of dynamic strain aging, and this led to the establishment of another project. Mechanical test data obtained at McMaster University served as the basis of an assessment of the applicability of Bazinski’s “stress equivalence” theory of solute strengthening to polycrystalline alloys of Mg. Although we did not succeed in applying the approach to Mg alloys, we did develop expertise with the HEXRD approach using a BCC, β-Ti alloy and demonstrated numerous new capabilities that may be applied to any polycrystalline material in collaboration with researchers at CHESS and around the world: (1) assessment of details of the elastoplastic transition (yielding) using a combination of HEXRD and full-field polycrystal plasticity modeling, (2) the first-ever experimental observation of strong stress rotation within the individual grains of a polycrystalline material, and (3) a comprehensive analysis of the grain-level dislocation density evolution based upon diffraction peak broadening along 𝜂𝜂,𝜔𝜔,and 2𝜃𝜃 directions. This final aspect allowed us to confirm that dislocations were gliding on multiple plane types and not restricted to {110} type planes, and it also provided clues as to why some grains were unloading during straining, with surprising implications for our understanding of the effects of geometrically necessary dislocations (GNDs). Finally, graduate student, Mohammed Shabana, developed a MATLAB code which confirmed the conclusions of Prof. Catalin Picu (Rensallear Polytechnic Institute, RPI) regarding the effect of solute-trapped, forest dislocations on the breaking stress of Lomer lock junctions in FCC metal alloys. He applied the same anisotropic line-tension model to a variety of dislocation junction configurations and found an inconsistency in the widely cited results of Dupuy and Fivel regarding the Hirth Lock, and he outlined an approach to extend these finding to HCP Mg alloys that we are still pursuing with discretionary fundings at UVA.

36 MATERIALS SCIENCE↗