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At least 73 records · Page 4

SU-F-T-295: MLCs Performance and Patient-Specific IMRT QA Using Log File Analysis

Purpose: To analyze the performance of the multi-leaf collimators (MLCs) from the log files recorded during the intensity modulated radiotherapy (IMRT) treatment and to construct the relative fluence maps and do the gamma analysis to compare the planned and executed MLCs movement. Methods: We developed a program to extract and analyze the data from dynamic log files (dynalog files) generated from sliding window IMRT delivery treatments. The program extracts the planned and executed (actual or delivered) MLCs movement, calculates and compares the relative planned and executed fluences. The fluence maps were used to perform the gamma analysis (with 3% dose difference and 3 mm distance to agreement) for 3 IMR patients. We compared our gamma analysis results with those obtained from portal dose image prediction (PDIP) algorithm performed using the EPID. Results: For 3 different IMRT patient treatments, the maximum difference between the planned and the executed MCLs positions was 1.2 mm. The gamma analysis results of the planned and delivered fluences were in good agreement with the gamma analysis from portal dosimetry. The maximum difference for number of pixels passing the gamma criteria (3%/3mm) was 0.19% with respect to portal dosimetry results. Conclusion: MLC log files can be used to verify the performance of the MLCs. Patientspecific IMRT QA based on MLC movement log files gives similar results to EPID dosimetry results. This promising method for patient-specific IMRT QA is fast, does not require dose measurements in a phantom, can be done before the treatment and for every fraction, and significantly reduces the IMRT workload. The author would like to thank King Fahd University of petroleum and Minerals for the support.

60 APPLIED LIFE SCIENCES↗

Evaluation of Physical Security Risk for Potential Implementation of FLEX using Dynamic Simulation Methods

The requirements for United States nuclear power plants to maintain a large onsite physical security force contribute to their large operational costs. The cost of maintaining the current physical security posture is approximately 10% of the overall operation and maintenance budget for commercial nuclear power plants. The goal of the Light Water Reactor Sustainability Program Physical Security Pathway is to develop tools, methods, and technologies and provide the technical basis for an optimized physical security posture. This pathway will analyze and minimize the conservatisms built into current security postures in order to reduce security costs while still ensuring adequate security and operational safety. The research performed at Idaho National Laboratory within this pathway has successfully developed a dynamic force-on-force (FOF) modeling framework using various computer simulation tools and integrated them with the dynamic assessment Event Modeling Risk Assessment using Linked Diagrams (EMRALD) tool. This document provides an overview of lessons learned in applying a dynamic computational framework that links results from a commercially available FOF simulation tool, a commercially available thermal-hydraulic tool, and EMRALD to an operating commercial nuclear power plant. This process of including plant procedures and multiple analysis results is being called Modeling and Analysis for Safety Security using Dynamic EMRALD Framework. Previous reports described how a user could integrate their plant-specific FOF models with the dynamic simulation tool EMRALD, model operator actions, integrate with probabilistic risk assessment tools, such as Computer Aided Fault Tree Analysis System or Systems Analysis Programs for Hands-on Integrated Reliability Evaluations, and with thermal-hydraulic tools, such as RELAP-5. Previous reports applied various combinations of available simulations codes with EMRALD using generic plant models to demonstrate how to perform the analysis. This report documents the results of applying the dynamic computational framework to an actual nuclear facility using their security scenarios and timelines. The purpose of this study was to verify that results achieved using generic models are similar to actual plant results and to refine our guidance of the use of the framework. Such an assessment enables further analysis, such as what-if scenarios and staff-reduction evaluation, thereby optimizing physical security at plants. NOTE: The work performed in this report is based on a generic EMRALD model with actual plant data used for the analysis. However, only the generic model and general results of the analysis are in the report. No plant’s sensitive information is discussed in this report. The discussion shows examples of insights that can be obtained from the MASS-DEF methodology.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Reimagining Disassembly Interfaces With Visualization: Combining Instruction Tracing and Control Flow With DisViz

In applications where efficiency is critical, developers may examine their compiled binaries, seeking to understand how the compiler transformed their source code and what performance implications that transformation may have. This analysis is challenging due to the vast number of disassembled binary instructions and the many-to-many mappings between them and the source code. These problems are exacerbated as source code size increases, giving the compiler more freedom to map and disperse binary instructions across the disassembly space. Interfaces for disassembly typically display instructions as an unstructured listing or sacrifice the order of execution. Here, we design a new visual interface for disassembly code that combines execution order with control flow structure, enabling analysts to both trace through code and identify familiar aspects of the computation. Central to our approach is a novel layout of instructions grouped into basic blocks that displays a looping structure in an intuitive way. We add to this disassembly representation a unique block-based mini-map that leverages our layout and shows context across thousands of disassembly instructions. Finally, we embed our disassembly visualization in a web-based tool, DisViz, which adds dynamic linking with source code across the entire application. DizViz was developed in collaboration with program analysis experts following design study methodology and was validated through evaluation sessions with ten participants from four institutions. Participants successfully completed the evaluation tasks, hypothesized about compiler optimizations, and noted the utility of our new disassembly view. Our evaluation suggests that our new integrated view helps application developers in understanding and navigating disassembly code.

Computer science↗

Bayesian analysis of (3 +1)⁢D relativistic nuclear dynamics with the RHIC beam energy scan data

This work presents a Bayesian inference study for relativistic heavy-ion collisions in the beam energy scan program at the BNL Relativistic Heavy-Ion Collider. The theoretical model simulates event-by-event (3+1)-dimensional [(3+1)⁢D] collision dynamics using hydrodynamics and hadronic transport theory. We analyze the model's 20-dimensional posterior distributions obtained using three model emulators with different accuracy and demonstrate the essential role of training an accurate model emulator in the Bayesian analysis. Our analysis provides robust constraints on the quark-gluon plasma's transport properties and various aspects of (3+1)⁢D relativistic nuclear dynamics. By running full model simulations with 100 parameter sets sampled from the posterior distribution, we make predictions for p T -differential observables and estimate their systematic theory uncertainty. Here, a sensitivity analysis is performed to elucidate how individual experimental observables respond to different model parameters, providing useful physics insights into the phenomenological model for heavy-ion collisions.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Composable Programming of Hybrid Workflows for Quantum Simulation

We present a composable design scheme for the development of hybrid quantum/classical algorithms and workflows for applications of quantum simulation. Our object-oriented approach is based on constructing an expressive set of common data structures and methods that enable programming of a broad variety of complex hybrid quantum simulation applications. The abstract core of our scheme is distilled from the analysis of the current quantum simulation algorithms. Subsequently, it allows a synthesis of new hybrid algorithms and workflows via the extension, specialization, and dynamic customization of the abstract core classes defined by our design. We implement our design scheme using the hardware-agnostic programming language QCOR into the QuaSiMo library. To validate our implementation, we test and show its utility on commercial quantum processors from IBM, running some prototypical quantum simulations.

97 MATHEMATICS AND COMPUTING↗

Highly interactive, steered scientific workflows on HPC systems: optimizing design solutions

Scientific workflows are becoming increasingly important in high performance computing (HPC) settings, as the feasibility and appeal of many simultaneous heterogeneous tasks increases with increasing hardware capabilities. Currently no HPC-based workflow platform supports a dynamically adaptable workflow with interactive steering and analysis at run-time. Furthermore, for most workflow programs, compute resources are fixed for a given instance, resulting in a possible waste of expensive allocation resources when tasks are spawned and killed. Here we describe the design and testing of a run-time-interactive, adaptable, steered workflow tool capable of executing thousands of parallel tasks without an MPI programming model, using a database management system to facilitate task management through multiple live connections. We find that on the Oak Ridge Leadership Computing Facility pre-exascale Summit supercomputer it is possible to launch and interactively steer workflows with thousands of simultaneous tasks with negligible latency. For the case of particle simulation and analysis tasks that run for minutes to hours, this paradigm offers the prospect of a robust and efficient means to perform simulation-space exploration with on-the-fly analysis and adaptation.

Ossyra, John R↗

ParaDIS_lib

The ParaDIS_lib software is a project that is funded by the DOE ASC Program. Its purpose is to provide visualization and analysis capabilities for the existing ParaDIS parallel dislocation dynamics simulation code.

Cook, RichardD.↗

ParaDIS_lib

The ParaDIS_lib software is a project that is funded by the DOE ASC Program. Its purpose is to provide visualization and analysis capabilities for the existing ParaDIS parallel dislocation dynamics simulation code.

Cook, Richard D.↗

DAGSENS: Directed Acyclic Graph Based Direct and Adjoint Transient Sensitivity Analysis for Event-Driven Objective Functions

We present DAGSENS, a new theory for parametric transient sensitivity analysis of Differential Algebraic Equation systems (DAEs), such as SPICE-level circuits. The key ideas behind DAGSENS are, (1) to represent the entire sequence of computations, starting from DAE parameters, all the way up to the objective function whose sensitivity is needed, as a Directed Acyclic Graph (DAG) called the "sensitivity DAG", and (2) to compute the required sensitivities efficiently (with time complexity linear in the size of the sensitivity DAG) by leveraging dynamic programming techniques to traverse the DAG. DAGSENS is simple, elegant, and easy-to-understand compared to existing sensitivity analysis approaches; for example, in DAGSENS, one can switch between direct and adjoint transient sensitivities just by changing the direction of DAG traversal (i.e., topological order vs. reverse topological order). Also, DAGSENS is significantly more powerful than existing sensitivity analysis approaches because it allows one to compute the sensitivities of a much more general class of objective functions, including those defined based on "events" that occur during a transient simulation (e.g., a node voltage crossing a particular threshold, a phase-locked loop (PLL) achieving lock, a signal reaching its maximum/minimum value during a transient run, etc.). In this paper, we apply DAGSENS to compute the sensitivities of important event-driven performance metrics in several real-world electronic and biological applications, including high-speed communication (featuring sub-systems such as I/0 links and PLLs), statistical cell library characterization, and gene expression in Drosophila embryos.

42 ENGINEERING↗

RAVEN, a New Software for Dynamic Risk Analysis

RAVEN is a generic software driver to perform parametric and probabilistic analysis of code simulating complex systems. Initially developed to provide dynamic risk analysis capabilities to the RELAP-7 code [1] is currently being generalized with the addition of Application Programming Interfaces (APIs). These interfaces are used to extend RAVEN capabilities to any software as long as all the parameters that need to be perturbed are accessible by inputs files or directly via python interfaces. RAVEN is capable to investigate the system response probing the input space using Monte Carlo, grid strategies, or Latin Hyper Cube schemes, but its strength is its focus toward system feature discovery like limit surfaces separating regions of the input space leading to system failure using dynamic supervised learning techniques. The paper will present an overview of the software capabilities and their implementation schemes followed by same application examples.

97 MATHEMATICS AND COMPUTING↗

TEAMER - Extreme Events Modeling for the MARMOK-OWC Wave Energy Converter

Through the TEAMER program, Sandia National Laboratories (SNL) collaborated with IDOM Incorporated to study their MARMOK-Oscillating Water Column (MARMOK-OWC) wave energy conversion device. The study yielded a quantitative understanding of hydrodynamic pressures on the oscillating water column (OWC) device surfaces, the mooring tensions, and the dynamic performance of the device under extreme ocean wave conditions. This project utilized a comprehensive multi-phase Navier-Stokes flow solver with an overset body-fit mesh to predict fluid velocities and hydrodynamic forces on the MARMOK-OWC device. Computational Fluid Dynamics (CFD) analysis were conducted using OpenFOAM. This data includes the OpenFOAM cases (setup and data) to run the extreme events developed during the project. This project is part of the TEAMER RFTS 4 (request for technical support) program.

16 TIDAL AND WAVE POWER↗

Infrared and Raman Spectroscopy from Ab Initio Molecular Dynamics and Static Normal Mode Analysis: The C–H Region of DMSO as a Case Study

Carbon-hydrogen (C-H) vibration modes serve as key probes in the chemical identification of hydrocarbons and in vibrational sum-frequency generation (SFG) spectroscopy of hydrocarbons at the liquid/gas interface. Their assignments pose a challenge from a theoretical viewpoint. Here in this work, we present a detailed study of the C-H stretching region of dimethyl sulfoxide (DMSO) using a new Gaussian basis set- based ab initio molecular dynamics (AIMD) module that we have implemented in the NWChem computational chemistry program. By combining AIMD simulations and static normal mode analysis, we interpret experimental infrared and Raman spectra and explore the role of anharmonic effects in this system. Our anharmonic normal mode analysis of the in-phase and out-of-phase symmetric C-H stretching modes challenges the previous experimental assignment of the shoulder in the symmetric C-H stretching peak as an overtone or Fermi resonance. In addition, our AIMD simulations also show significant broadening of the in-phase symmetric C-H stretching resonance, which suggests that the experimentally observed shoulder is due to thermal broadening of the symmetric stretching resonance.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Modeling of two-storey precast school building using Ruaumoko 2D program

The long-distant earthquake loading from Sumatra and Java Island had caused some slight damages to precast and reinforced concrete buildings in West Malaysia such as cracks on wall panels, columns and beams. Subsequently, the safety of existing precast concrete building is needed to be analyzed because these buildings were designed using BS 8110 which did not include the seismic loading in the design. Thus, this paper emphasizes on the seismic performance and dynamic behavior of precast school building constructed in Malaysia under three selected past earthquakes excitations ; El Centro 1940 North-South, El Centro East-West components and San Fernando 1971 using RUAUMOKO 2D program. This program is fully utilized by using prototype precast school model and dynamic non-linear time history analysis. From the results, it can be concluded that two-storey precast school building has experienced severe damage and partial collapse especially at beam-column joint under San Fernando and El Centro North-South Earthquake as its exceeds the allowable inter-storey drift and displacement as specified in Eurocode 8. The San Fernando earthquake has produced a massive destruction to the precast building under viscous damping, ξ = 5% and this building has generated maximum building displacement of 435mm, maximum building drift of 0.68% and maximum bending moment at 8458kNm.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

ADEPT, a dynamic next generation sequencing data error-detection program with trimming

Illumina is the most widely used next generation sequencing technology and produces millions of short reads that contain errors. These sequencing errors constitute a major problem in applications such as de novo genome assembly, metagenomics analysis and single nucleotide polymorphism discovery. In this study, we present ADEPT, a dynamic error detection method, based on the quality scores of each nucleotide and its neighboring nucleotides, together with their positions within the read and compares this to the position-specific quality score distribution of all bases within the sequencing run. This method greatly improves upon other available methods in terms of the true positive rate of error discovery without affecting the false positive rate, particularly within the middle of reads. We conclude that ADEPT is the only tool to date that dynamically assesses errors within reads by comparing position-specific and neighboring base quality scores with the distribution of quality scores for the dataset being analyzed. The result is a method that is less prone to position-dependent under-prediction, which is one of the most prominent issues in error prediction. The outcome is that ADEPT improves upon prior efforts in identifying true errors, primarily within the middle of reads, while reducing the false positive rate.

59 BASIC BIOLOGICAL SCIENCES↗

Experimental Validation of Approximate Dynamic Programming Based Optimization and Convergence on Microgrid Applications

Stochastic optimization can better address uncertainties in power system problems. However, when state space and action space become large, many existing approaches become computationally expensive and even infeasible. Approximate dynamic programming (ADP) attracts researchers’ attention as a powerful tool for solving power system optimization problems with reduced computational cost. In this paper, in light of the existing literature, we investigate how the ADP approach with post-decision value function approximation converges to the nearly optimal solution with improved computational speed and experimentally validate the performance of the approach for a microgrid energy optimization problem. The approximation error versus the number of iteration is studied for convergence analysis of the post-decision ADP. A flowchart is provided to illustrate the proposed ADP algorithm for a microgrid energy optimization problem. The performance of ADP and dynamic programming (DP) is compared in terms of optimization error and computational time. It has found that the post-decision ADP approach can achieve competitive optimality with improved computational speed compared to the traditional DP.

Das, Avijit↗

Cavity contour segmentation in chest radiographs using supervised learning and dynamic programming

Purpose: Efficacy of tuberculosis (TB) treatment is often monitored using chest radiography. Monitoring size of cavities in pulmonary tuberculosis is important as the size predicts severity of the disease and its persistence under therapy predicts relapse. The authors present a method for automatic cavity segmentation in chest radiographs. Methods: A two stage method is proposed to segment the cavity borders, given a user defined seed point close to the center of the cavity. First, a supervised learning approach is employed to train a pixel classifier using texture and radial features to identify the border pixels of the cavity. A likelihood value of belonging to the cavity border is assigned to each pixel by the classifier. The authors experimented with four different classifiers:k-nearest neighbor (kNN), linear discriminant analysis (LDA), GentleBoost (GB), and random forest (RF). Next, the constructed likelihood map was used as an input cost image in the polar transformed image space for dynamic programming to trace the optimal maximum cost path. This constructed path corresponds to the segmented cavity contour in image space. Results: The method was evaluated on 100 chest radiographs (CXRs) containing 126 cavities. The reference segmentation was manually delineated by an experienced chest radiologist. An independent observer (a chest radiologist) also delineated all cavities to estimate interobserver variability. Jaccard overlap measure Ω was computed between the reference segmentation and the automatic segmentation; and between the reference segmentation and the independent observer's segmentation for all cavities. A median overlap Ω of 0.81 (0.76 ± 0.16), and 0.85 (0.82 ± 0.11) was achieved between the reference segmentation and the automatic segmentation, and between the segmentations by the two radiologists, respectively. The best reported mean contour distance and Hausdorff distance between the reference and the automatic segmentation were, respectively, 2.48 ± 2.19 and 8.32 ± 5.66 mm, whereas these distances were 1.66 ± 1.29 and 5.75 ± 4.88 mm between the segmentations by the reference reader and the independent observer, respectively. The automatic segmentations were also visually assessed by two trained CXR readers as “excellent,” “adequate,” or “insufficient.” The readers had good agreement in assessing the cavity outlines and 84% of the segmentations were rated as “excellent” or “adequate” by both readers. Conclusions: The proposed cavity segmentation technique produced results with a good degree of overlap with manual expert segmentations. The evaluation measures demonstrated that the results approached the results of the experienced chest radiologists, in terms of overlap measure and contour distance measures. Automatic cavity segmentation can be employed in TB clinics for treatment monitoring, especially in resource limited settings where radiologists are not available.

62 RADIOLOGY AND NUCLEAR MEDICINE↗

Advanced probabilistic risk analysis using RAVEN and RELAP-7

RAVEN, under the support of the Nuclear Energy Advanced Modeling and Simulation (NEAMS) program [1], is advancing its capability to perform statistical analyses of stochastic dynamic systems. This is aligned with its mission to provide the tools needed by the Risk Informed Safety Margin Characterization (RISMC) path-lead [2] under the Department Of Energy (DOE) Light Water Reactor Sustainability program [3]. In particular this task is focused on the synergetic development with the RELAP-7 [4] code to advance the state of the art on the safety analysis of nuclear power plants (NPP). The investigation of the probabilistic evolution of accident scenarios for a complex system such as a nuclear power plant is not a trivial challenge. The complexity of the system to be modeled leads to demanding computational requirements even to simulate one of the many possible evolutions of an accident scenario (tens of CPU/hour). At the same time, the probabilistic analysis requires thousands of runs to investigate outcomes characterized by low probability and severe consequence (tail problem). The milestone reported in June of 2013 [5] described the capability of RAVEN to implement complex control logic and provide an adequate support for the exploration of the probabilistic space using a Monte Carlo sampling strategy. Unfortunately the Monte Carlo approach is ineffective with a problem of this complexity. In the following year of development, the RAVEN code has been extended with more sophisticated sampling strategies (grids, Latin Hypercube, and adaptive sampling). This milestone report illustrates the effectiveness of those methodologies in performing the assessment of the probability of core damage following the onset of a Station Black Out (SBO) situation in a boiling water reactor (BWR). The first part of the report provides an overview of the available probabilistic analysis capabilities, ranging from the different types of distributions available, possible sampling strategies, and post processing analysis capabilities. The first part of the report provides an extensive description of two major developments introduced this year: adaptive sampling for limit surface sampling and multi variate distributions. The document concludes with a description of the demo case (BWR-SBO) and a discussion of the results obtained.

97 MATHEMATICS AND COMPUTING↗