Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “software differences”

Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 1,711 records · Page 95

Particle Swarm Optimization Algorithm for Critical Experiment Design

Nuclear criticality experiments are used to validate nuclear cross section data used by simulation software. This is typically achieved by designing a critical system with a high sensitivity to a certain material’s cross section. Once the experiment has been carried out, a high fidelity model of the system is developed into a benchmark. When this benchmark model is simulated by a transport code, some of the difference between the experimental and computational effective neutron multiplication factor can be attributed to inaccurate nuclear data. Nuclear data evaluators then can make adjustments accordingly to improve cross section data.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

SU-E-J-263: Dosimetric Analysis On Breast Brachytherapy Based On Deformable Image Registration

Purpose: To quantitatively compare and evaluate the dosimetry difference between breast brachytherapy protocols with different fractionation using deformable image registration. Methods: The accumulative dose distribution for multiple breast brachytherapy patients using four different applicators: Contura, Mammosite, Savi, and interstitial catheters, under two treatment protocols: 340cGy by 10 fractions in 5 days and 825cGy by 3 fractions in 2days has been reconstructed using a two stage deformable image registration approach. For all patients, daily CT was acquired with the same slice thickness (2.5mm). In the first stage, the daily CT images were rigidly registered to the initial planning CT using the registration module in Eclipse (Varian) to align the applicators. In the second stage, the tissues surrounding the applicator in the rigidly registered daily CT image were non-rigidly registered to the initial CT using a combination of image force and the local constraint that enforce zero normal motion on the surface of the applicator, using a software developed in house. We calculated the dose distribution in the daily CTs and deformed them using the final registration to convert into the image domain of the initial planning CT. The accumulative dose distributions were evaluated by dosimetry parameters including D90, V150 and V200, as well as DVH. Results: Dose reconstruction results showed that the two day treatment has a significant dosimetry improvement over the five day protocols. An average daily drop of D90 at 1.3% of the prescription dose has been observed on multiple brachytherapy patients. There is no significant difference on V150 and V200 between those two protocols. Conclusion: Brachytherapy with higher fractional dose and less fractions has an improved performance on being conformal to the dose distribution in the initial plan. Elongated brachytherapy treatments need to consider the dose uncertainty caused by the temporal changes of the soft tissue.

60 APPLIED LIFE SCIENCES↗

A Hermitian symmetric space Fokas–Lenells equation: Solitons, breathers, rogue waves

Highlights: • We study a Hermitian symmetric space Fokas–Lenells equation. • We obtain multi-soliton, kink–breather and rogue wave solutions for this equation. • We analyse the dynamical behaviour of these exact solutions. - Abstract: Based on the zero-curvature representation, we propose a Hermitian symmetric space Fokas–Lenells equation associated with a 4 × 4 matrix spectral problem. Resorting to the gauge transformation between spectral problems, we find a restrictive condition of the spectral functions that can ensure the symmetry of the new potential matrix, from which n-fold classical Darboux transformations and N-fold generalized Darboux transformations of this equation are constructed with the help of the limit technique and an iterative procedure. Utilizing the Darboux transformations and Mathematica software, we obtain various solutions for the Hermitian symmetric space Fokas–Lenells equation, including the multi-soliton solution, kink–breather solution, eye-shaped rogue wave solution, one-peaky shaped rogue wave solution, and dark two-peaky shaped rogue wave solution. By varying the values of the free parameters, we obtain different types of spatial–temporal distribution structures for the solutions, including the fundamental, line and triangular patterns. Furthermore, the dynamical behaviour of these solutions, including the fusion and fission processes of rogue waves, is analysed in detail.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Practical considerations for atomistic structure modeling with Cryo-EM maps

We present our experiences and opinions with selected software with respect to atomistic structure modeling with single particle analysis derived maps. These are atomistic model building and fitting method selection criteria and implementation procedures. Since we explain common concepts and caveats that we have explained to our collaborators, we hope that this short perspective will help facilitate active discussion between scientists at different levels and backgrounds.

Kim, Doo Nam↗

Application of performance portability solutions for GPUs and many-core CPUs to track reconstruction kernels

Next generation High-Energy Physics (HEP) experiments are presented with significant computational challenges, both in terms of data volume and processing power. Using compute accelerators, such as GPUs, is one of the promising ways to provide the necessary computational power to meet the challenge. The current programming models for compute accelerators often involve using architecture-specific programming languages promoted by the hardware vendors and hence limit the set of platforms that the code can run on. Developing software with platform restrictions is especially unfeasible for HEP communities as it takes significant effort to convert typical HEP algorithms into ones that are efficient for compute accelerators. Multiple performance portability solutions have recently emerged and provide an alternative path for using compute accelerators, which allow the code to be executed on hardware from different vendors. We apply several portability solutions, such as Kokkos, SYCL, C++17 std::execution::par, Alpaka, and OpenMP/OpenACC, on two mini-apps extracted from the mkFit project: p2z and p2r. These apps include basic kernels for a Kalman filter track fit, such as propagation and update of track parameters, for detectors at a fixed z or fixed r position, respectively. The two mini-apps explore different memory layout formats. We report on the development experience with different portability solutions, as well as their performance on GPUs and many-core CPUs, measured as the throughput of the kernels from different GPU and CPU vendors such as NVIDIA, AMD and Intel.

Kwok, Ka Hei Martin↗

Compact high repetition rate Thomson parabola ion spectrometer

Here, we present the development of a compact Thomson parabola ion spectrometer capable of characterizing the energy spectra of various ion species of multi-MeV ion beams from >10 20 W/cm 2 laser produced plasmas at rates commensurate with the highest available from any of the current and near-future PW-class laser facilities. This diagnostic makes use of a polyvinyl toluene based fast plastic scintillator (EJ-260), and the emitted light is collected using an optical imaging system coupled to a thermoelectrically cooled scientific complementary metal–oxide–semiconductor camera. This offers a robust solution for data acquisition at a high repetition rate, while avoiding the added complications and nonlinearities of micro-channel plate based systems. Different ion energy ranges can be probed using a modular magnet setup, a variable electric field, and a varying drift-distance. We have demonstrated operation and data collection with this system at up to 0.2 Hz from plasmas created by irradiating a solid target, limited only by the targeting system. With the appropriate software, on-the-fly ion spectral analysis will be possible, enabling real-time experimental control at multi-Hz repetition rates.

47 OTHER INSTRUMENTATION↗

Performance Portability in the Exascale Computing Project: Exploration Through a Panel Series

Performance portability is a critical issue for the Exascale Computing Project (ECP) because of nontrivial architectural differences between machines available today and those expected at exascale. Many ECP project teams are working toward performance portability, and would expect to benefit from sharing lessons learned, identifying gaps, and discovering opportunities for partnerships. To facilitate this communication, the IDEAS-ECP project partnered with the three focus areas of ECP (application development, software technology, and hardware and integration), and Department of Energy computing facilities, to lead a series of panel discussions on performance portability. The panels were organized around broadly common themes of algorithmic and data locality challenges. In this article, we describe the panel series, its objectives, and perspectives from the various areas of the project. Finally, we also discuss use cases that are distinctive, as well as conclusions drawn from the collective experience of the participants.

97 MATHEMATICS AND COMPUTING↗

Atmospheric Profile Builder

APBuilder is a software tool designed to generate atmospheric profiles for use with AC2Dr by downloading weather model data and transforming it into 1D or 2D binary profiles. These binary profiles serve as required inputs for AC2Dr, an LLNL-developed, open source, two-dimensional numerical solver for the acoustic wave equation based on the finite difference method.

Kim, Keehoon [Lawrence Livermore National Laborato↗

Numerical simulation of mold filling water blown polyurethane foams: Effects of sequential pour

Batch molding of polyurethane foams is a widely used processing technique to produce crosslinked cellular structures which form to the shape of the mold. For water-blown polyurethane foams, water is reacted to form gaseous carbon dioxide resulting in a foam which expands to fill the mold completely. Batch molding typically requires an operator to coat the surface of a mold, introducing a significant lag time during the filling stage where significant asymmetric volume change can occur. The purpose of this work is to show, through simulations, that this lag time is significant when predicting flow profiles and part quality. When the mold geometry is complex enough to force bifurcation of the flow, simulations incorporating various filling lag times predicted significantly different locations of knit or weld lines where the flow fronts meet. Current simulation techniques, which assume the filling stage occurs instantaneously, are unable to predict variations in weld line locations. The introduction of a lag time, referred to herein as sequential pour, was achieved through user-defined modules incorporated into Ansys Fluent software.

36 MATERIALS SCIENCE↗

Predictive Big Data Analytics: A Study of Parkinson’s Disease Using Large, Complex, Heterogeneous, Incongruent, Multi-Source and Incomplete Observations

Background A unique archive of Big Data on Parkinson’s Disease is collected, managed and disseminated by the Parkinson’s Progression Markers Initiative (PPMI). The integration of such complex and heterogeneous Big Data from multiple sources offers unparalleled opportunities to study the early stages of prevalent neurodegenerative processes, track their progression and quickly identify the efficacies of alternative treatments. Many previous human and animal studies have examined the relationship of Parkinson’s disease (PD) risk to trauma, genetics, environment, co-morbidities, or life style. The defining characteristics of Big Data–large size, incongruency, incompleteness, complexity, multiplicity of scales, and heterogeneity of information-generating sources–all pose challenges to the classical techniques for data management, processing, visualization and interpretation. We propose, implement, test and validate complementary model-based and model-free approaches for PD classification and prediction. To explore PD risk using Big Data methodology, we jointly processed complex PPMI imaging, genetics, clinical and demographic data. Methods and Findings Collective representation of the multi-source data facilitates the aggregation and harmonization of complex data elements. This enables joint modeling of the complete data, leading to the development of Big Data analytics, predictive synthesis, and statistical validation. Using heterogeneous PPMI data, we developed a comprehensive protocol for end-to-end data characterization, manipulation, processing, cleaning, analysis and validation. Specifically, we (i) introduce methods for rebalancing imbalanced cohorts, (ii) utilize a wide spectrum of classification methods to generate consistent and powerful phenotypic predictions, and (iii) generate reproducible machine-learning based classification that enables the reporting of model parameters and diagnostic forecasting based on new data. We evaluated several complementary model-based predictive approaches, which failed to generate accurate and reliable diagnostic predictions. However, the results of several machine-learning based classification methods indicated significant power to predict Parkinson’s disease in the PPMI subjects (consistent accuracy, sensitivity, and specificity exceeding 96%, confirmed using statistical n-fold cross-validation). Clinical (e.g., Unified Parkinson's Disease Rating Scale (UPDRS) scores), demographic (e.g., age), genetics (e.g., rs34637584, chr12), and derived neuroimaging biomarker (e.g., cerebellum shape index) data all contributed to the predictive analytics and diagnostic forecasting. Conclusions Model-free Big Data machine learning-based classification methods (e.g., adaptive boosting, support vector machines) can outperform model-based techniques in terms of predictive precision and reliability (e.g., forecasting patient diagnosis). We observed that statistical rebalancing of cohort sizes yields better discrimination of group differences, specifically for predictive analytics based on heterogeneous and incomplete PPMI data. UPDRS scores play a critical role in predicting diagnosis, which is expected based on the clinical definition of Parkinson’s disease. Even without longitudinal UPDRS data, however, the accuracy of model-free machine learning based classification is over 80%. The methods, software and protocols developed here are openly shared and can be employed to study other neurodegenerative disorders (e.g., Alzheimer’s, Huntington’s, amyotrophic lateral sclerosis), as well as for other predictive Big Data analytics applications.

Science & Technology - Other Topics↗

Institutional Transformation (IX) 2.5 Building Module Help Manual

The Institutional Transformation (IX) building module is a software tool developed at Sandia National Laboratories to evaluate energy conservation measures (ECMs) on hundreds of DOE-2 building energy models simultaneously. In IX, ECMs can be designed through parameterizing DOE-2 building models and doing further processing via visual basic for applications subroutines. IX provides the functionality to handle multiple building models for different years, which enables incrementally changing a site of hundreds of buildings over time. It also enables evaluation of the effects of changing climate, comparisons between data and modeling results, and energy use of centralized utility buildings (CUBs). IX consists of a Microsoft Excel® user interface, Microsoft Access® database, and Microsoft Excel® CUB build utility whose functionalities are described in detail in this report. In addition to descriptions of the user interfaces, descriptions of every ECM already designed in IX is included.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

ECP ST Capability Assessment Report (CAR) for VTK-m (FY20)

The ECP/VTK-m project is providing the core capabilities to perform scientific visualization on Exascale architectures. The ECP/VTK-m project fills the critical feature gap of performing visualization and analysis on processors like graphics-based processors. The results of this project will be delivered in tools like ParaView, Vislt, and Ascent as well as in stand-alone form. Moreover, these projects are depending on this ECP effort to be able to make effective use of ECP architectures. One of the biggest recent changes in high-performance computing is the increasing use of accelerators. Accelerators contain processing cores that independently are inferior to a core in a typical CPU, but these cores are replicated and grouped such that their aggregate execution provides a very high computation rate at a much lower power. Current and future CPU processors also require much more explicit parallelism. Each successive version of the hardware packs more cores into each processor, and technologies like hyper threading and vector operations require even more parallel processing to leverage each core's full potential. VTK-m is a toolkit of scientific visualization algorithms for emerging processor architectures. VTK-m supports the fine-grained concurrency for data analysis and visualization algorithms required to drive extreme scale computing by providing abstract models for data and execution that can be applied to a variety of algorithms across many different processor architectures. The ECP/VTK-m project is building up the VTK-m codebase with the necessary visualization algorithm implementations that run across the varied hardware platforms to be leveraged at the Exascale. We will be working with other ECP projects, such as ALPINE, to integrate the new VTK-m code into production software to enable visualization on our HPC systems.

97 MATHEMATICS AND COMPUTING↗

Hydrogen Risk Assessment Models (HyRAM) (Version 3.0 Technical Reference Manual)

The HyRAM software toolkit provides a basis for conducting quantitative risk assessment and consequence modeling for hydrogen infrastructure and transportation systems. HyRAM is designed to facilitate the use of state-of-the-art science and engineering models to conduct robust, repeatable assessments of hydrogen safety, hazards, and risk. HyRAM includes generic probabilities for hydrogen equipment failures, probabilistic models for the impact of heat flux on humans and structures, and computationally and experimentally validated first-order models of hydrogen release and flame physics. HyRAM integrates deterministic and probabilistic models for quantifying accident scenarios, predicting physical effects, and characterizing hydrogen hazards (thermal effects from jet fires, overpressure effects from deflagrations), and assessing impact on people and structures. HyRAM is developed at Sandia National Laboratories for the U.S. Department of Energy to increase access to technical data about hydrogen safety and to enable the use of that data to support development and revision of national and international codes and standards. HyRAM is a research software in active development and thus the models and data may change. This report will be updated at appropriate developmental intervals. This document provides a description of the methodology and models contained in the HyRAM version 3.0. HyRAM 3.0 includes the new ability to model cryogenic hydrogen releases from liquid hydrogen systems, using a different property calculation method and different equations of state. Other changes include modifications to the ignition probability calculations, component leak frequency calculations, and addition of default impulse data.

08 HYDROGEN↗

Economic Perspectives of Biogas Production via Anaerobic Digestion

As the demand for utilizing environment-friendly and sustainable energy sources is increasing, the adoption of waste-to-energy technologies has started gaining attention. Producing biogas via anaerobic digestion (AD) is promising and well-established; however, this process in many circumstances is unable to be cost competitive with natural gas. In this research, we provide a technical assessment of current process challenges and compare the cost of biogas production via the AD process from the literature, Aspen Plus process modeling, and CapdetWorks software. We also provide insights on critical factors affecting the AD process and recommendations on optimizing the process. We utilize four types of wet wastes, including wastewater sludge, food waste, swine manure, and fat, oil, and grease, to provide a quantitative assessment of theoretical energy yields of biogas production and its economic potential at different plant scales. Our results show that the cost of biogas production from process and economic models are in line with the literature with a potential to go even lower for small-scale plants with technological advancements. This research illuminates potential cost savings for biogas production using different wastes and guide investors to make informed decisions, while achieving waste management goals.

59 BASIC BIOLOGICAL SCIENCES↗

Representing Small Commercial Building Faults in EnergyPlus, Part II: Model Validation

Automated fault detection and diagnosis (AFDD) tools based on machine-learning algorithms hold promise for lowering cost barriers for AFDD in small commercial buildings; however, access to high-quality training data for such algorithms is often difficult to obtain. To fill the gap in this research area, this study covers the development (Part I) and validation (Part II) of fault models that can be used with the building energy modeling software EnergyPlus® and OpenStudio® to generate a cost-effective training data set for developing AFDD algorithms. Part II (this paper) first presents a methodology of validating fault models with OpenStudio and then presents validation results, which are compared against measurements from a reference building. We discuss the results of our experiments with eight different faults in the reference building (a total of 39 different baseline and faulted scenarios), including our methodology for using fault models along with the reference building model to simulate the same faulted scenarios. Then, we present validation of the fault models by comparing results of simulations and experiments either quantitatively or qualitatively.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

In Search of Optimum Fresh-Cut Raw Material: Using Computer Vision Systems as a Sensory Screening Tool for Browning-Resistant Romaine Lettuce Accessions

The popularity of ready-to-eat (RTE) salads has prompted novel technology to prolong the shelf life of their ingredients. Fresh-cut romaine lettuce is widely used in RTE salads; however, its tendency to quickly discolor continues to be a challenge for the industry. Selecting the ideal lettuce accessions for use in RTE salads is essential to ensure maximum shelf life, and it is critical to have a practical way to assess and compare the quality of multiple lettuce accessions that are being considered for use in fresh-cut applications. Thus, in this work we aimed to determine whether a computer vision system (CVS) composed of image acquisition, processing, and analysis could be effective to detect visual quality differences among 16 accessions of fresh-cut romaine lettuce during postharvest storage. The CVS involved a post-capturing color correction, effective image segmentation, and calculation of a browning index, which was tested as a predictor of quality and shelf life of fresh-cut romaine lettuce. The results demonstrated that machine vision software can be implemented to replace or supplement the scoring of a trained panel and instrumental quality measurements. Overall visual quality, a key sensory parameter that determines food preferences and consumer behavior, was highly correlated with the browning index, with a Pearson correlation coefficient of −0.85. Other important sensory decision parameters were also strongly or moderately correlated with the browning index, with Pearson correlation coefficients of −0.84 for freshness, 0.79 for off odor, and 0.57 for browning. The ranking of the accessions according to quality acceptability from the sensory evaluation produced a similar pattern to those obtained with the CVS. This study revealed that multiple lettuce accessions can be effectively benchmarked for their performance as fresh-cut sources via a CVS-based method. Future opportunities and challenges in using machine vision image processing to predict consumer preferences for RTE salad greens is also discussed.

Agriculture↗

Method and apparatus for inter-lane thread migration

Briefly, methods and apparatus to migrate a software thread from one wavefront executing on one execution unit to another wavefront executing on another execution unit whereby both execution units are associated with a compute unit of a processing device such as, for example, a GPU. The methods and apparatus may execute compiled dynamic thread migration swizzle buffer instructions that when executed allow access to a dynamic thread migration swizzle buffer that allows for the migration of register context information when migrating software threads. The register context information may be located in one or more locations of a register file prior to storing the register context information into the dynamic thread migration swizzle buffer. The method and apparatus may also return the register context information from the dynamic thread migration swizzle buffer to one or more different register file locations of the register file.

97 MATHEMATICS AND COMPUTING↗

Athena: High-Performance Sparse Tensor Contraction Sequence on Heterogeneous Memory

Sparse tensor contraction sequence has been widely employed in many fields, such as chemistry and physics. However, how to efficiently implement the sequence faces multiple challenges, such as redundant computations and memory operations, massive memory consumption, and inefficient utilization of hardware. To address the above challenges, we introduce Athena, a high-performance framework for SpTC sequences. Athena introduces new data structures, leverages emerging Optane-based heterogeneous memory (HM) architecture, and stage parallelism. In particular, Athena introduces shared hash table-represented sparse accumulator to eliminate unnecessary input processing and data migration; Athena uses a novel data-semantic guided dynamic migration solution to make the best use of the Optane-based HM for high performance; Athena also co-runs execution phases with different characteristics to enable high hardware utilization. Evaluating with 12 datasets, we show that Athena brings 327-7362× speedup over the state-of-the-art SpTC algorithm. With the dynamic data placement guided by data semantics, Athena brings performance improvement on Optane-based HM over a state-of-the-art software-based data management solution, a hardware-based data management solution, and PMM-only by 1.58×, 1.82×, and 2.34× respectively.

Liu, Jiawen↗