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All sources NASA NTRS DOE OSTI

DOE OSTI2014

Initial experience of ArcCHECK and 3DVH software for RapidArc treatment plan verification

The purpose of this study was to perform delivery quality assurance with ArcCHECK and 3DVH system (Sun Nuclear, FL) and to evaluate the suitability of this system for volumetric-modulated arc therapy (VMAT) (RapidArc [RA]) verification. This software calculates the delivered dose distributions in patients by perturbing the calculated dose using errors detected in fluence or planar dose measurements. The device is tested to correlate the gamma passing rate (%GP) and the composite dose predicted by 3DVH software. A total of 28 patients with prostate cancer who were treated with RA were analyzed. RA treatments were delivered to a diode array phantom (ArcCHECK), which was used to create a planned dose perturbation (PDP) file. The 3DVH analysis used the dose differences derived from comparing the measured dose with the treatment planning system (TPS)-calculated doses to perturb the initial TPS-calculated dose. The 3DVH then overlays the resultant dose on the patient's structures using the resultant “PDP” beams. Measured dose distributions were compared with the calculated ones using the gamma index (GI) method by applying the global (Van Dyk) normalization and acceptance criteria, i.e., 3%/3 mm. Paired differences tests were used to estimate statistical significance of the differences between the composite dose calculated using 3DVH and %GP. Also, statistical correlation by means of logistic regression analysis has been analyzed. Dose-volume histogram (DVH) analysis for patient plans revealed small differences between treatment plan calculations and 3DVH results for organ at risk (OAR), whereas planning target volume (PTV) of the measured plan was systematically higher than that predicted by the TPS. The t-test results between the planned and the estimated DVH values showed that mean values were incomparable (p < 0.05). The quality assurance (QA) gamma analysis 3%/3 mm showed that in all cases there were only weak-to-moderate correlations (Pearson r: 0.12 to 0.74). Moreover, clinically relevant differences increased with increasing QA passing rate, indicating that some of the largest dose differences occurred in the cases of high QA passing rates, which may be called “false negatives.” The clinical importance of any disagreement between the measured and the calculated dose is often difficult to interpret; however, beam errors (either in delivery or in TPS calculation) can affect the effectiveness of the patient dose. Further research is needed to determinate the role of a PDP-type algorithm to accurately estimate patient dose effect.

61 RADIATION PROTECTION AND DOSIMETRY↗

DOE OSTI2024

From Sim to Real: A Pipeline for Training and Deploying Traffic Smoothing Cruise Controllers

Designing and validating controllers for connected and automated vehicles to enhance traffic flow presents significant challenges, from the complexity of replicating real-world stop-and-go traffic dynamics in simulation, to the intricacies involved in transitioning from simulation to actual deployment. In this work, we present a full pipeline from data collection to controller deployment. Specifically, we collect 772 km of driving data from the I-24 in Tennessee, and use it to build a one-lane simulator, placing simulated vehicles behind real-world trajectories. Using policy-gradient methods with an asymmetric critic, we improve fuel efficiency by over 10% when simulating congested scenarios. Our comprehensive approach includes reinforcement learning for controller training, software verification, hardware validation and setup, and navigating various sim-to-real challenges. Furthermore, we analyze the controller's behavior and wave-smoothing properties, and deploy it on four Toyota Rav4’s in a real-world validation experiment on the I-24. Lastly, we release the driving dataset, the simulator and the trained controller, to enable future benchmarking and controller design.

42 ENGINEERING↗

DOE OSTI2015

Development of a 3D optical scanning-based automatic quality assurance system for proton range compensators

Purpose: A new automatic quality assurance (AutoRCQA) system using a three-dimensional scanner (3DS) with system automation was developed to improve the accuracy and efficiency of the quality assurance (QA) procedure for proton range compensators (RCs). The system performance was evaluated for clinical implementation. Methods: The AutoRCQA system consists of a three-dimensional measurement system (3DMS) based on 3DS and in-house developed verification software (3DVS). To verify the geometrical accuracy, the planned RC data (PRC), calculated with the treatment planning system (TPS), were reconstructed and coregistered with the measured RC data (MRC) based on the beam isocenter. The PRC and MRC inner surfaces were compared with composite analysis (CA) using 3DVS, using the CA pass rate for quantitative analysis. To evaluate the detection accuracy of the system, the authors designed a fake PRC by artificially adding small cubic islands with side lengths of 1.5, 2.5, and 3.5 mm on the inner surface of the PRC and performed CA with the depth difference and distance-to-agreement tolerances of [1 mm, 1 mm], [2 mm, 2 mm], and [3 mm, 3 mm]. In addition, the authors performed clinical tests using seven RCs [computerized milling machine (CMM)-RCs] manufactured by CMM, which were designed for treating various disease sites. The systematic offsets of the seven CMM-RCs were evaluated through the automatic registration function of AutoRCQA. For comparison with conventional technique, the authors measured the thickness at three points in each of the seven CMM-RCs using a manual depth measurement device and calculated thickness difference based on the TPS data (TPS-manual measurement). These results were compared with data obtained from 3DVS. The geometrical accuracy of each CMM-RC inner surface was investigated using the TPS data by performing CA with the same criteria. The authors also measured the net processing time, including the scan and analysis time. Results: The AutoRCQA system accurately detected all fake objects in accordance with the given criteria. The median systematic offset of the seven CMM-RCs was 0.08 mm (interquartile range: −0.25 to 0.37 mm) and −0.08 mm (−0.58 to 0.01 mm) in the X- and Y-directions, respectively, while the median distance difference was 0.37 mm (0.23–0.94 mm). The median thickness difference of the TPS-manual measurement at points 1, 2, and 3 was −0.4 mm (−0.4 to −0.2 mm), −0.2 mm (−0.3 to 0.0 mm), and −0.3 mm (−0.6 to −0.1 mm), respectively, while the median difference of 3DMS was 0.0 mm (−0.1 to 0.2 mm), 0.0 mm (−0.1 to 0.3 mm), and 0.1 mm (−0.1 to 0.2 mm), respectively. Thus, 3DMS showed slightly better values compared to the manual measurements for points 1 and 3 in statistical analysis (p < 0.05). The average pass rate of the seven CMM-RCs was 97.97% ± 1.68% for 1-mm CA conditions, increasing to 99.98% ± 0.03% and 100% ± 0.00% for 2- and 3-mm CA conditions, respectively. The average net analysis time was 18.01 ± 1.65 min. Conclusions: The authors have developed an automated 3DS-based proton RC QA system and verified its performance. The AutoRCQA system may improve the accuracy and efficiency of QA for RCs.

07 ISOTOPE AND RADIATION SOURCES↗

DOE OSTI2015

SU-E-T-355: Efficient Scatter Correction for Direct Ray-Tracing Based Dose Calculation

Purpose: To propose a scatter correction method with linear computational complexity for direct-ray-tracing (DRT) based dose calculation. Due to its speed and simplicity, DRT is widely used as a dose engine in the treatment planning system (TPS) and monitor unit (MU) verification software, where heterogeneity correction is applied by radiological distance scaling. However, such correction only accounts for attenuation but not scatter difference, causing the DRT algorithm less accurate than the model-based algorithms for small field size in heterogeneous media. Methods: Inspired by the convolution formula derived from an exponential kernel as is typically done in the collapsed-cone-convolution-superposition (CCCS) method, we redesigned the ray tracing component as the sum of TERMA scaled by a local deposition factor, which is linear with respect to density, and dose of the previous voxel scaled by a remote deposition factor, D(i)=aρ(i)T(i)+(b+c(ρ(i)-1))D(i-1),where T(i)=e(-αr(i)+β(r(i))2) and r(i)=Σ-(j=1,..,i)ρ(j).The two factors together with TERMA can be expressed in terms of 5 parameters, which are subsequently optimized by curve fitting using digital phantoms for each field size and each beam energy. Results: The proposed algorithm was implemented for the Fluence-Convolution-Broad-Beam (FCBB) dose engine and evaluated using digital slab phantoms and clinical CT data. Compared with the gold standard calculation, dose deviations were improved from 20% to 2% in the low density regions of the slab phantoms for the 1-cm field size, and within 2% for over 95% of the volume with the largest discrepancy at the interface for the clinical lung case. Conclusion: We developed a simple recursive formula for scatter correction for the DRT-based dose calculation with much improved accuracy, especially for small field size, while still keeping calculation to linear complexity. The proposed calculator is fast, yet accurate, which is crucial for dose updating in IMRT optimization.

60 APPLIED LIFE SCIENCES↗

DOE OSTI2016

SU-F-T-609: Impact of Dosimetric Variation for Prescription Dose Using Analytical Anisotropic Algorithm (AAA) in Lung SBRT

Purpose: Actual irradiated prescription dose to patients cannot be verified. Thus, independent dose verification and second treatment planning system are used as the secondary check. AAA dose calculation engine has contributed to lung SBRT. We conducted a multi-institutional study to assess variation of prescription dose for lung SBRT when using AAA in reference to using Acuros XB and Clarkson algorithm. Methods: Six institutes in Japan participated in this study. All SBRT treatments were planed using AAA in Eclipse and Adaptive Convolve (AC) in Pinnacle3. All of the institutes used a same independent dose verification software program (Simple MU Analysis: SMU, Triangle Product, Ishikawa, Japan), which implemented a Clarkson-based dose calculation algorithm using CT image dataset. A retrospective analysis for lung SBRT plans (73 patients) was performed to compute the confidence limit (CL, Average±2SD) in dose between the AAA and the SMU. In one of the institutes, a additional analysis was conducted to evaluate the variations between the AAA and the Acuros XB (AXB). Results: The CL for SMU shows larger systematic and random errors of 8.7±9.9 % for AAA than the errors of 5.7±4.2 % for AC. The variations of AAA correlated with the mean CT values in the voxels of PTV (a correlation coefficient : −0.7) . The comparison of AXB vs. AAA shows smaller systematic and random errors of −0.7±1.7%. The correlation between dose variations for AXB and the mean CT values in PTV was weak (0.4). However, there were several plans with more than 2% deviation of AAPM TG114 (Maximum: −3.3 %). Conclusion: In comparison for AC, prescription dose calculated by AAA may be more variable in lung SBRT patient. Even AXB comparison shows unexpected variation. Care should be taken for the use of AAA in lung SBRT. This research is partially supported by Japan Agency for Medical Research and Development (AMED)

60 APPLIED LIFE SCIENCES↗

DOE OSTI2014

The National Solar Permitting Database

"The soft costs of solar — costs not associated with hardware — remain stubbornly high. Among the biggest soft costs are those associated with inefficiencies in local permitting and inspection. A study by the National Renewable Energy Laboratory and Lawrence Berkeley National Laboratory estimates that these costs add an average of $0.22/W per residential installation. This project helps reduce non-hardware/balance of system (BOS) costs by creating and maintaining a free and available site of permitting requirements and solar system verification software that installers can use to reduce time, capital, and resource investments in tracking permitting requirements. Software tools to identify best permitting practices can enable government stakeholders to optimize their permitting process and remove superfluous costs and requirements. Like ""a Wikipedia for solar permitting"", users can add, edit, delete, and update information for a given jurisdiction. We incentivize this crowdsourcing approach by recognizing users for their contributions in the form of SEO benefits to their company or organization by linking back to users' websites."

Gunderson, Renic↗

DOE OSTI2024

Tardigrade-examples V0.1.0

Tardigrade-examples is a repository of computational workflows that exercise the Tardigrade software package. The Tardigrade software package is an implementation of Eringen’s micromorphic continuum theory with capabilities to support multiscale material modeling. These capabilities include homogenization through the Micromorphic Filter, calibration of micromorphic material models, and macroscale simulation in Tardigrade-MOOSE. This repository investigates continuum upscaling of various direct numerical simulations (DNS) conducted in Abaqus finite element (FE), Ratel FE, and GEOS material point method (MPM) software. Verification of the upscaling workflow is first investigated by considering DNS of trivial stress states for homogeneous materials, results of which indicate that classical continuum behavior is recovered as expected. DNS of heterogeneous materials are then considered.

Allard, Thomas↗

DOE OSTI2025

An open-access simulated earthquake ground-motion database for an M7 Hayward Fault earthquake in the San Francisco Bay Region

Comprehensive understanding of earthquake ground motions, particularly in the near-fault region of large-magnitude events, is limited by gaps in strong-motion data. This challenge is prominent in areas with high seismic hazard but infrequent large earthquakes where data is sparse and difficult to interpret. These data limitations lead to uncertainties in the development of site-specific ground motions, which are crucial for engineering risk assessments. To address these challenges, physics-based regional-scale ground-motion simulations have been developed. With the emergence of exaflop-scale computing ecosystems, it is now possible to simulate regional earthquake processes at unprecedented fidelity and generate the large number of fault rupture realizations necessary to characterize both intra- and inter-event ground-motion variability. This article introduces a new database of simulated earthquake ground motions, created for applications in earthquake engineering, earthquake planning, and emergency response. The inaugural version of the database features simulated ground motions for a magnitude 7 Hayward Fault earthquake in the San Francisco Bay Region (SFBR), using the EarthQuake SIMulation (EQSIM) simulation framework and the Graves–Pitarka kinematic rupture model. The aim is to provide high-fidelity, spatially dense, three-component motions generated on the Department of Energy’s (DOE) newest generation of graphics processing unit (GPU)-accelerated supercomputers. These motions are being made openly available to the engineering, scientific, and disaster planning communities. In addition, this work develops protocols for the efficient dissemination of these large data sets and emphasizes community engagement to build confidence in their application. This article discusses the methodology behind the data, underlying software verification and validation, scalable data management, and a user interface for data access. The goal is to facilitate widespread use and elicit expert feedback to maximize the utility and exploitation of simulated motions. While the initial focus is on the San Francisco Region, simulations for additional regions will be added as the DOE program progresses.

Simulated ground-motion database↗

DOE OSTI2012

Integral and Separate Effects Tests for Thermal Hydraulics Code Validation for Liquid-Salt Cooled Nuclear Reactors

The objective of the 3-year project was to collect integral effects test (IET) data to validate the RELAP5-3D code and other thermal hydraulics codes for use in predicting the transient thermal hydraulics response of liquid salt cooled reactor systems, including integral transient response for forced and natural circulation operation. The reference system for the project is a modular, 900-MWth Pebble Bed Advanced High Temperature Reactor (PB-AHTR), a specific type of Fluoride salt-cooled High temperature Reactor (FHR). Two experimental facilities were developed for thermal-hydraulic integral effects tests (IETs) and separate effects tests (SETs). The facilities use simulant fluids for the liquid fluoride salts, with very little distortion to the heat transfer and fluid dynamics behavior. The CIET Test Bay facility was designed, built, and operated. IET data for steady state and transient natural circulation was collected. SET data for convective heat transfer in pebble beds and straight channel geometries was collected. The facility continues to be operational and will be used for future experiments, and for component development. The CIET 2 facility is larger in scope, and its construction and operation has a longer timeline than the duration of this grant. The design for the CIET 2 facility has drawn heavily on the experience and data collected on the CIET Test Bay, and it was completed in parallel with operation of the CIET Test Bay. CIET 2 will demonstrate start-up and shut-down transients and control logic, in addition to LOFC and LOHS transients, and buoyant shut down rod operation during transients. Design of the CIET 2 Facility is complete, and engineering drawings have been submitted to an external vendor for outsourced quality controlled construction. CIET 2 construction and operation continue under another NEUP grant. IET data from both CIET facilities is to be used for validation of system codes used for FHR modeling, such as RELAP5-3D. A set of numerical models were developed in parallel to the experimental work. RELAP5-3D models were developed for the salt-cooled PB-AHTR, and for the simulat fluid CIET natural circulation experimental loop. These models are to be validated by the data collected from CIET. COMSOL finite element models were used to predict the temperature and fluid flow distribution in the annular pebble bed core; they were instrumental for design of SETs, and they can be used for code-to-code comparisons with RELAP5-3D. A number of other small SETs, and numerical models were constructed, as needed, in support of this work. The experiments were designed, constructed and performed to meet CAES quality assurance requirements for test planning, implementation, and documentation; equipment calibration and documentation, procurement document control; training and personnel qualification; analysis/modeling software verification and validation; data acquisition/collection and analysis; and peer review.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2019

Detecting Data-Races in High-Performance Computing

High-performance computing is susceptible to data-race bugs. Data races occur when sequences of computed events do not happen in the intended order, a significant barrier to the integrity of parallel programs using shared-memory architectures. Many approaches to data-race detection are based on traditional static-analysis techniques that typically execute on a program’s source code or control-flow graph (the graphical representation of all possible orders of events in the execution of a program). Similar to classical data-flow analyses, such tools can produce false alarms that report spurious race conditions on error free programs. We have developed a software verification technique that requires as input only a program’s source code and can automatically detect a data-race bug which definitely exists, determine that a program is definitely data-race free, or report that it cannot determine either of the two cases.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2024

Theory Manual for the Reaction Summary Module- SUMMAR

The post-processing module of DIF3D called SUMMAR was created to produce commonly used reactor engineering outputs. It is a optional output option for DIF3D and provides alternative summarizes of power, flux, and neutron balance over the user specified regions and areas. It can also provide isotope-wise microscopic and macroscopic reaction rates along with the effective one-group microscopic cross sections needed for solving the Bateman equations. This report serves as both the theory manual, user guide, and software verification of the SUMMAR module. The methodology and equations for all SUMMAR calculated parameters are presented here and discussed. Then the verification work, based upon simple DIF3D models, is presented to validate the derived equations. The SUMMAR inputs and outputs are detailed and examples are given to demonstrate it.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2026

Towards a Verifiable Domain-Specific Language for Hardware-Accelerated Stencils

Defining a domain-specific language (DSL) that supports vector-calculus abstractions eases the porting of partial differential equation (PDE) solvers to specialized architectures. Sufficiently high-level abstractions empower users to express universal laws with sufficient generality that the laws must always hold true within their domain of validity. A broad class of PDE solvers employs stencil-based algorithms, the target domain of Berkeley Lab's stencil accelerator chip co-design project. First released as open-source in January 2026, the Formal software framework lays a foundation for defining an embedded DSL based on composable operators that implement mimetic numerical methods -- stencil algorithms that guarantee satisfaction of discrete versions of important vector calculus theorems. The Formal DSL will be the frontend to a new class of stencil-PDE accelerators developed jointly by LBNL, UHCL, and UC Berkeley through the DOE Competitive Portfolios for Computer Science Project. This offers the potential of an order of magnitude acceleration for this important category of computational methods to serve the DOE mission. Future work on the Formal DSL will facilitate software verification via type-safe templates that enable problem-specific correctness proofs relying upon generic function theory and carefully crafted unit tests.

Rouson, Damian↗

DOE OSTI2025

The Fluid Dynamics Uncertainty Quantification Challenge Problem: XFOIL vs. MFOIL

Uncertainty quantification (UQ) has become more critical in aerospace engineering due to the growing dependence on computational tools for design optimization and performance analyses of aerospace vehicles. Even though the significance of UQ in assessing the credibility of computational analyses is well recognized, its costs and complexity impede its integration into standard practices, particularly in computational fluid dynamics (CFD) and other fluid analyses. This paper presents a UQ study for low-fidelity computational aerodynamics analyses with XFOIL and mfoil (i.e., the MATLAB version of XFOIL with several implementation modifications); these tools are utilized widely in both research and education. The main contributions of this paper are as follows: 1) improved precision in quantifying the uncertainty of the baseline Monte Carlo results used to benchmark surrogate modeling techniques for UQ, 2) quantification of the effect of the implementation differences between XFOIL and mfoil on solution quantities of interest (QoIs), such as lift and pitching moment coefficients, and 3) development of an open-source UQ library for use with XFOIL and mfoil, which has educational values and helps promote UQ for fluid analyses with aerospace applications. Results and discussions revolve around cases 1-4 of the challenge problem posed by the AIAA Fluid Dynamics Technical Committee’s Uncertainty Quantification Discussion Group (UQDG). In case 3, this work employs CFDverify, an open-source solution verification software, to quantify the discretization error and evaluate the extrapolated QoIs based on the grid convergence index (GCI). This UQ study differentiates itself from previous studies in the rigor of handling baseline Monte Carlo uncertainty and in including mfoil, which is a more accessible alternative to XFOIL. Finally, despite the growing computing power, low-fidelity computational tools remain valuable, such as for aerodynamic shape optimization at Mach numbers below 0.65 and low-to-mid Reynolds numbers.

Lay, Aidan S [University of Tennessee, Knoxville (↗

DOE OSTI2014

The National Solar Permitting Database

Gunderson, Renic↗

DOE OSTI2026

Vision and Development of a Design, Implementation, and Verification Automation (DIVA) Software Platform for DNA Construction

Abstract DNA construction, while a prerequisite to many biological endeavors, is often a time-consuming distraction from an individual’s primary research objectives. We envisioned that with the right software infrastructure and cultural mindset, a single person could execute in parallel the batched DNA construction tasks of an entire research institute, at scales realizing efficiency gains through process and laboratory automation. In pursuit of this vision, we developed the Design, Implementation, and Verification Automation (DIVA) software platform. DIVA’s web interface enables researchers to design DNA constructs (using visual biological computer-aided design tools and biological parts repositories), submit designs for construction to dedicated staff, and track DNA construction as it progresses. DIVA supports the dedicated staff through the DNA construction process and records both successful and unsuccessful attempts toward improving the overall process. The platform is publicly available at public-diva.jbei.org and its open-source code through github.com/JBEI/DIVA.

Plahar, Hector [DOE Agile BioFoundry , , ,; DOE Jo↗

DOE OSTI2014

MAMA Software Features: Quantification Verification Documentation-1

This document reviews the verification of the basic shape quantification attributes in the MAMA software against hand calculations in order to show that the calculations are implemented mathematically correctly and give the expected quantification results.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2014

CaveMan Enterprise version 1.0 Software Validation and Verification.

The U.S. Department of Energy Strategic Petroleum Reserve stores crude oil in caverns solution-mined in salt domes along the Gulf Coast of Louisiana and Texas. The CaveMan software program has been used since the late 1990s as one tool to analyze pressure mea- surements monitored at each cavern. The purpose of this monitoring is to catch potential cavern integrity issues as soon as possible. The CaveMan software was written in Microsoft Visual Basic, and embedded in a Microsoft Excel workbook; this method of running the CaveMan software is no longer sustainable. As such, a new version called CaveMan Enter- prise has been developed. CaveMan Enterprise version 1.0 does not have any changes to the CaveMan numerical models. CaveMan Enterprise represents, instead, a change from desktop-managed work- books to an enterprise framework, moving data management into coordinated databases and porting the numerical modeling codes into the Python programming language. This document provides a report of the code validation and verification testing.

Hart, David↗

DOE OSTI2015

A quantification of the effectiveness of EPID dosimetry and software-based plan verification systems in detecting incidents in radiotherapy

Purpose: Complex treatments in radiation therapy require robust verification in order to prevent errors that can adversely affect the patient. For this purpose, the authors estimate the effectiveness of detecting errors with a “defense in depth” system composed of electronic portal imaging device (EPID) based dosimetry and a software-based system composed of rules-based and Bayesian network verifications. Methods: The authors analyzed incidents with a high potential severity score, scored as a 3 or 4 on a 4 point scale, recorded in an in-house voluntary incident reporting system, collected from February 2012 to August 2014. The incidents were categorized into different failure modes. The detectability, defined as the number of incidents that are detectable divided total number of incidents, was calculated for each failure mode. Results: In total, 343 incidents were used in this study. Of the incidents 67% were related to photon external beam therapy (EBRT). The majority of the EBRT incidents were related to patient positioning and only a small number of these could be detected by EPID dosimetry when performed prior to treatment (6%). A large fraction could be detected by in vivo dosimetry performed during the first fraction (74%). Rules-based and Bayesian network verifications were found to be complimentary to EPID dosimetry, able to detect errors related to patient prescriptions and documentation, and errors unrelated to photon EBRT. Combining all of the verification steps together, 91% of all EBRT incidents could be detected. Conclusions: This study shows that the defense in depth system is potentially able to detect a large majority of incidents. The most effective EPID-based dosimetry verification is in vivo measurements during the first fraction and is complemented by rules-based and Bayesian network plan checking.

60 APPLIED LIFE SCIENCES↗