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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.

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At least 739 records · Page 41
All sourcesNASA NTRSDOE OSTI
DOE OSTI2016

Formal Approach For Resilient Reachability based on End-System Route Agility

The deterministic nature of existing routing protocols has resulted into an ossified Internet with static and predictable network routes. This gives persistent attackers (e.g. eavesdroppers and DDoS attackers) plenty of time to study the network and identify the vulnerable links (critical) to plan a devastating and stealthy attack. Recently, route mutation approaches have been proposed to address such issues. However, these approaches incur significantly high overhead and depend upon the availability of disjoint routes in the network, which inherently limit their use for mission critical services. To cope with these issues, we extend the current routing architecture to consider end-hosts as routing elements, and present a formal method based agile defense mechanism to increase resiliency of the existing cyber infrastructure. The major contributions of this paper include: (1) formalization of efficient and resilient End to End (E2E) reachability problem as a constraint satisfaction problem, which identifies the potential end-hosts to reach a destination while satisfying resilience and QoS constraints, (2) design and implementation of a novel decentralized End Point Route Mutation (EPRM) protocol, and (3) design and implementation of planning algorithm to minimize the overlap between multiple flows, for the sake of maximizing the agility in the system. Our implementation and evaluation validates the correctness, effectiveness and scalability of the proposed approach.

Rauf, Usman↗
DOE OSTI2025

High‐Temperature Single‐Photon Emission From Covalently Functionalized van der Waals Heterostructures

Two-dimensional (2D) transition metal dichalcogenides (TMDs) such as tungsten diselenide (WSe 2 ) are attractive nanomaterials for quantum information applications due to single-photon emission (SPE) from intrinsic atomic defects. Defect and strain engineering techniques have been developed to produce high purity, deterministically placed SPE in WSe 2 . However, a major challenge in the application of these techniques is the low temperature required to observe defect-bound TMD exciton emission, typically limiting SPE to T < 30 K. SPE at higher temperatures either loses purity or requires integration into complex devices such as optical cavities. Here, 2D heterostructure engineering and molecular functionalization are combined to achieve high purity (>90%) SPE in strained WSe 2 persisting to over T = 90 K. Covalent diazonium functionalization of graphite in layered WSe 2 /graphite heterostructures maintains high purity up to T = 90 K and single-photon source integrity up to T = 115 K. This method preserves the best qualities of SPE from WSe 2 while increasing working temperature to more than three times the typical range. This work demonstrates the versatility of surface functionalization and heterostructure design to synergistically improve the properties of quantum emission and offers new insights into the phenomenon of SPE from 2D materials.

2D materials↗
DOE OSTI2019

Demonstration of Comprehensive Ex-Vessel Fluence Capability

Several recent developments in the Consortium for Advanced Simulation of Light Water Reactors’ (CASL) Virtual Environment for Reactor Applications (VERA) were tested to highlight its capability to perform ex-vessel fluence and reaction rate calculations. VERA offers unique capabilities for integrating the deterministic neutronics code, MPACT, with Shift, a Monte Carlo code, to perform high-fidelity in-core and ex-core radiation transport. Applications such as pressure vessel fluence, ex-core detector response, and coupon irradiation analyses take advantage of this coupling. For these applications, MPACT performs the in-core radiation transport with temperature feedback and isotopic depletion through the direct coupling with the CTF subchannel thermal-hydraulics code. Then, MPACT provides the fission source to Shift for a follow-on fixed source radiation transport calculation that tallies all the ex-core responses of interest for each time-dependent statepoint. The variance reduction method, CADIS, which is implemented in Shift, allows for efficient performance of ex-core transport for calculation of ex-core quantities of interest. This milestone report identifies limitations to the current methodology in place and showcases VERA’s current capability to model ex-core quantities of interest.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2016

PWR Station Blackout and External Events Analysis for LWRS/RISMC Project

In the framework of the US-DOE Light Water Reactor Sustainability/ Risk-Informed Safety Margin Characterization (LWRS/RISMC) project, methods, data and tools are being developed with the ultimate scope of improving the safety and operation of the current US nuclear fleet. A set of Industrial Applications (IA) concerning the most relevant safety issues is defined for applying and testing the developed tool kits. The ultimate scope of IA no. 2 is a realistic simulation of natural external hazards that impose threat to a Nuclear Power Plant (NPP). This scope requires the development of a methodology and of a qualified set of tools able to perform advanced risk-informed safety analysis. In particular the methodology should be able to combine results from seismic, flooding and thermal-hydraulic (TH) deterministic calculations with dynamic Probabilistic Risk Assessment (PRA). A so-called Risk Informed Margin Management (RIMM) approach is being used to represent meaningful (i.e., realistic facility representation and simulation) event scenarios and consequences by linking probabilistic simulations to external events physics. (authors)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2017

Perspective: Explicitly correlated electronic structure theory for complex systems

The explicitly correlated approach is one of the most important breakthroughs in ab initio electronic structure theory, providing arguably the most compact, accurate, and efficient ansatz for describing the correlated motion of electrons. Since Hylleraas first used an explicitly correlated wave function for the He atom in 1929, numerous attempts have been made to tackle the significant challenges involved in constructing practical explicitly correlated methods that are applicable to larger systems. These include identifying suitable mathematical forms of a correlated wave function and an efficient evaluation of many-electron integrals. R12 theory, which employs the resolution of the identity approximation, emerged in 1985, followed by the introduction of novel correlation factors and wave function ansätze, leading to the establishment of F12 theory in the 2000s. Rapid progress in recent years has significantly extended the application range of explicitly correlated theory, offering the potential of an accurate wave-function treatment of complex systems such as photosystems and semiconductors. In conclusion, this perspective surveys explicitly correlated electronic structure theory, with an emphasis on recent stochastic and deterministic approaches that hold significant promise for applications to large and complex systems including solids.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2021

Deep Reinforcement Scheduling of Energy Storage Systems for Real-time Voltage Regulation in Unbalanced LV Networks with High PV Penetration

The ever-growing higher penetration of distributed energy resources (DERs) in low-voltage (LV) distribution systems brings both opportunities and challenges to voltage support and regulation. This paper proposes a deep reinforcement learning (DRL)-based scheduling scheme of energy storage systems (ESSs) to mitigate system voltage deviations in unbalanced LV distribution networks. The ESS-based voltage regulation problem is formulated as a multi-stage quadratic stochastic program, with the objective of minimizing the expected total daily voltage regulation cost while satisfying operational constraints. While existing voltage regulation methods are mostly focused on onetime- step control, this paper explores a day-horizon systemwide voltage regulation problem. In other words, the size of action and state spaces are extremely high-dimensional and need to be delicately handled. Furthermore, in order to overcome the difficulty of modeling uncertainties and develop a realtime solution, a learn-to-schedule feedback control framework is proposed by adapting the problem to a model-free DRL setting. The proposed algorithm is tested on a customized 6-bus system and a modified IEEE 34-bus system. Simulation results validate the effectiveness and near-optimality of voltage regulation by ESS in comparison with a deterministic quadratic program solution.

Wang, Shengyi↗
DOE OSTI2015

WE-AB-BRA-09: Sensitivity of Plan Re-Optimization to Errors in Deformable Image Registration in Online Adaptive Image-Guided Radiation Therapy

Purpose: Online adaptive therapy (ART) relies on auto-contouring using deformable image registration (DIR). DIR’s inherent uncertainties require user intervention and manual edits while the patient is on the table. We investigated the dosimetric impact of DIR errors on the quality of re-optimized plans, and used the findings to establish regions for focusing manual edits to where DIR errors can Result in clinically relevant dose differences. Methods: Our clinical implementation of online adaptive MR-IGRT involves using DIR to transfer contours from CT to daily MR, followed by a physicians’ edits. The plan is then re-optimized to meet the organs at risk (OARs) constraints. Re-optimized abdomen and pelvis plans generated based on physician edited OARs were selected as the baseline for evaluation. Plans were then re-optimized on auto-deformed contours with manual edits limited to pre-defined uniform rings (0 to 5cm) around the PTV. A 0cm ring indicates that the auto-deformed OARs were used without editing. The magnitude of the variations caused by the non-deterministic optimizer was quantified by repeat re-optimizations on the same geometry to determine the mean and standard deviation (STD). For each re-optimized plan, various volumetric parameters for the PTV, the OARs were extracted along with DVH and isodose evaluation. A plan was deemed acceptable if the variation from the baseline plan was within one STD. Results: Initial results show that for abdomen and pancreas cases, a minimum of 5cm margin around the PTV is required for contour corrections, while for pelvic and liver cases a 2–3 cm margin is sufficient. Conclusion: Focusing manual contour edits to regions of dosimetric relevance can reduce contouring time in the online ART process while maintaining a clinically comparable plan. Future work will further refine the contouring region by evaluating the path along the beams, dose gradients near the target and OAR dose metrics.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2021

Sensitivity Analysis of Particle-In-Cell Modeling Parameters in Settling Bed, Bubbling Fluidized Bed and Circulating Fluidized Bed

The objective of the work presented is to perform a preliminary sensitivity analysis of particle-in-cell (PIC) model parameters when applied to settling bed, bubbling fluidized bed, and circulating fluidized bed simulations. These examples correspond to widely different flow conditions commonly seen in chemical engineering applications. Simulations were performed using the PIC method in the open-source software Multiphase Flow with Interphase eXchanges (MFiX) developed by the National Energy Technology Laboratory (NETL). As part of the non-intrusive uncertainty quantification (UQ) analysis, simulation campaigns were generated using Nodeworks. Sampling locations or settings for PIC model parameters were determined using the Latin Hypercube method. Response surfaces were created using radial basis functions (RBF), and Sobol’ indices were estimated to quantify the influence of model parameters on the quantities of interest (QoI). This study marks a first step towards systematically determining optimal ranges for model parameters used in MFiX-PIC. Based on limited experience, it is expected that these values would depend strongly on flow conditions. Given the complexity of the multiphase flow systems under analysis, a non-intrusive UQ based approach is used to identify the most influential parameters in each case. This prior knowledge will help in proposing an effective design of experiments (DoE) and determine optimal parameters through techniques such as deterministic or Bayesian calibration, which will be pursued in the future.

42 ENGINEERING↗
DOE OSTI2019

Diffusion tensor imaging of the kidney in healthy controls and in children and young adults with autosomal recessive polycystic kidney disease

Objective: To compare diffusion tensor imaging (DTI) of the kidneys and its derived parameters in children with autosomal recessive polycystic kidney disease (ARPKD) versus healthy controls. Methods: In a prospective IRB-approved study, we evaluated the use of DTI to compare kidney parenchyma FA values in healthy controls (age-matched children with no history of renal disease) versus patients with ARPKD. A 20-direction DTI with b-values of b = 0 s/mm{sup 2} and b = 400 s/mm{sup 2} was used to acquire data in coronal direction using a fat-suppressed spin-echo echo-planar sequence. Diffusion Toolkit and TrackVis were used for analysis and segmentation. TrackVis was used to draw regions of interest (ROIs) covering the entire volume of the renal parenchyma, excluding the collecting system. Fibers were reconstructed using a deterministic fiber tracking algorithm. The FA values based on the ROI data, mean length, and volume of the tracks based on the fiber tracking data were recorded. Results: Eight healthy controls (mean age = 12.9 years ± 4.0; 1/8 males) and six ARPKD participants (mean age = 13.8 years ± 8.5; 5/6 males) were included in the study. Compared to healthy controls, patients with ARPKD had significantly lower FA values (0.33 ± 0.03 vs. 0.25 ± 0.02, p = 0.002) and mean track length (16.73 ± 3.43 vs. 11.61 ± 1.29 mm, p = 0.005). Conclusion: DTI of the kidneys shows significantly lower FA values and mean track length in children and young adults with ARPKD compared to normal subjects. DTI of the kidney offers a novel approach for characterizing renal disease based on changes in diffusion anisotropy and kidney structure.

62 RADIOLOGY AND NUCLEAR MEDICINE↗
DOE OSTI2014

Quantification and probabilistic modeling of CRT obsolescence for the State of Delaware

Highlights: • We modeled the obsolescence of cathode ray tube devices in the State of Delaware. • 411,654 CRT units or ∼16,500 metric tons have been recycled in Delaware since 2002. • The peak of the CRT obsolescence in Delaware passed by 2012. • The Delaware average CRT recycling rate between 2002 and 13 was approximately 27.5%. • CRTs will continue to infiltrate the system likely until 2033. - Abstract: The cessation of production and replacement of cathode ray tube (CRT) displays with flat screen displays have resulted in the proliferation of CRTs in the electronic waste (e-waste) recycle stream. However, due to the nature of the technology and presence of hazardous components such as lead, CRTs are the most challenging of electronic components to recycle. In the State of Delaware it is due to this challenge and the resulting expense combined with the large quantities of CRTs in the recycle stream that electronic recyclers now charge to accept Delaware’s e-waste. Therefore it is imperative that the Delaware Solid Waste Authority (DSWA) understand future quantities of CRTs entering the waste stream. This study presents the results of an assessment of CRT obsolescence in the State of Delaware. A prediction model was created utilizing publicized sales data, a variety of lifespan data as well as historic Delaware CRT collection rates. Both a deterministic and a probabilistic approach using Monte Carlo Simulation (MCS) were performed to forecast rates of CRT obsolescence to be anticipated in the State of Delaware. Results indicate that the peak of CRT obsolescence in Delaware has already passed, although CRTs are anticipated to enter the waste stream likely until 2033.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2022

DECOVALEX-2023, Task F Specification, Revision 8

This report is the revised (Revision 8) Task F specification for DECOVALEX-2023. Task F is a comparison of the models and methods used in deep geologic repository performance assessment. The task proposes to develop a reference case for a mined repository in a fractured crystalline host rock and a reference case for a mined repository in a salt formation. Teams may choose to participate in the comparison for either or both of the reference cases. For each reference case, a common set of conceptual models and parameters describing features, events, and processes that impact performance will be given, and teams will be responsible for determining how best to implement and couple the models. The comparison will be conducted in stages, beginning with a comparison of key outputs of individual process models, followed by a comparison of a single deterministic simulation of the full reference case, and moving on to uncertainty propagation and uncertainty and sensitivity analysis. This report provides background information, a summary of the proposed reference cases, and a staged plan for the analysis.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2022

DECOVALEX-2023 Task F Specification (Rev. 9)

This report is the revised (Revision 9) Task F specification for DECOVALEX-2023. Task F is a comparison of the models and methods used in deep geologic repository performance assessment. The task proposes to develop a reference case for a mined repository in a fractured crystalline host rock (Task F1) and a reference case for a mined repository in a salt formation (Task F2). Teams may choose to participate in the comparison for either or both reference cases. For each reference case, a common set of conceptual models and parameters describing features, events, and processes that impact performance will be given, and teams will be responsible for determining how best to implement and couple the models. The comparison will be conducted in stages, beginning with a comparison of key outputs of individual process models, followed by a comparison of a single deterministic simulation of the full reference case, and moving on to uncertainty propagation and uncertainty and sensitivity analysis. This report provides background information, a summary of the proposed reference cases, and a staged plan for the analysis.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2023

DECOVALEX-2023: Task F Specification (Revision 10)

This report is the revised (Revision 10) Task F specification for DECOVALEX-2023. Task F is a comparison of the models and methods used in deep geologic repository performance assessment. The task proposes to develop a reference case for a mined repository in a fractured crystalline host rock (Task F1) and a reference case for a mined repository in a salt formation (Task F2). Teams may choose to participate in the comparison for either or both reference cases. For each reference case, a common set of conceptual models and parameters describing features, events, and processes that impact performance will be given, and teams will be responsible for determining how best to implement and couple the models. The comparison will be conducted in stages, beginning with a comparison of key outputs of individual process models, followed by a comparison of a single deterministic simulation of the full reference case, and moving on to uncertainty propagation and uncertainty and sensitivity analysis. This report provides background information, a summary of the proposed reference cases, and a staged plan for the analysis.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2021

Pronghorn: A Multidimensional Coarse Mesh Application for Advanced Reactor Thermal-Hydraulics

This paper presents an overview of Pronghorn, a multiscale thermal-hydraulic (T/H) application developed by Idaho National Laboratory and the University of California, Berkeley. Pronghorn, built on the open-source finite element Multiphysics Object-Oriented Simulation Environment (MOOSE), leverages state-of-the-art physical models, numerical methods, and nonlinear solvers to deliver fast-running advanced reactor T/H simulation capabilities within a modern software engineering environment. This work summarizes the physical models, multiphysics and multiscale coupling, and numerical discretization in Pronghorn with emphasis on our initial target application to pebble bed reactors (PBRs). A diverse set of applications are shown to depressurized natural circulation in the SANA experiments, forced convection in the Pebble Bed Modular Reactor, three-dimensional (3-D)/one-dimensional coupling of Pronghorn and RELAP-7 systems T/H for loop analysis in the High Temperature Reactor Power Module, and forced convection in the Mark-1 Pebble Bed Fluoride-Salt-Cooled High-Temperature Reactor. A multiphysics coupling of Pronghorn, RELAP-7, and Griffin deterministic neutronics for a gas-cooled PBR demonstrates the capability of the MOOSE framework for reactor design calculations. These applications highlight the verification and validation underlying Pronghorn’s software development while emphasizing features that improve upon capabilities offered by legacy tools in areas such as 3-D unstructured meshing, physics modeling, and multiphysics coupling.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2016

Comparison of statistical and deterministic frameworks of uncertainty quantification

Two different approaches to the prediction problem are compared employing a realistic example— combustion of natural gas—with 102 uncertain parameters and 76 quantities of interests. One approach, termed bound-to-bound data collaboration (abbreviated to B2B), deploys semidefinite programming algorithms where the initial bounds on unknowns are combined with initial bounds of experimental data to produce new uncertainty bounds for the unknowns that are consistent with the data and, finally, deterministic uncertainty bounds for prediction in new settings. The other approach is statistical and Bayesian, referred to as BCP (for Bayesian calibration and prediction). It places prior distributions on the unknown parameters and on the parameters of the measurement error distributions and produces posterior distributions for model parameters and posterior distributions for model predictions in new settings. The predictions from the two approaches are consistent; a very large degree of overlap exists between B2B bounds and the support of the BCP predictive distribution. Interpretation and comparison of the results is closely connected with assumptions made about the model and experimental data and how they are used in both settings. As a result, the principal conclusion is that use of both methods protects against possible violations of assumptions in the BCP approach and conservative specifications and predictions using B2B.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2019

Assessing the Dynamics and Complexity of Disease Pathogenicity Using 4-Dimensional Immunological Data

Investigating disease pathogenesis and personalized prognostics are major biomedical needs. Because patients sharing the same diagnosis can experience different outcomes, such as survival or death, physicians need new personalized tools, including those that rapidly differentiate several inflammatory phases. To address these topics, a pattern recognition-based method (PRM) that follows an inverse problem approach was designed to assess, in <10 min, eight concepts: synergy , pleiotropy , complexity , dynamics , ambiguity , circularity , personalized outcomes , and explanatory prognostics (pathogenesis). By creating thousands of secondary combinations derived from blood leukocyte data, the PRM measures synergic, pleiotropic, complex and dynamic data interactions, which provide personalized prognostics while some undesirable features—such as false results and the ambiguity associated with data circularity-are prevented. Here, this method is compared to Principal Component Analysis (PCA) and evaluated with data collected from hantavirus-infected humans and birds that appeared to be healthy. When human data were examined, the PRM predicted 96.9 % of all surviving patients while PCA did not distinguish outcomes. Demonstrating applications in personalized prognosis, eight PRM data structures sufficed to identify all but one of the survivors. Dynamic data patterns also distinguished survivors from non-survivors, as well as one subset of non-survivors, which exhibited chronic inflammation. When the PRM explored avian data, it differentiated immune profiles consistent with no, early, or late inflammation. Yet, PCA did not recognize patterns in avian data. Findings support the notion that immune responses, while variable, are rather deterministic: a low number of complex and dynamic data combinations may be enough to, rapidly, unmask conditions that are neither directly observable nor reliably forecasted.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2016

Stochastic behavior of nanoscale dielectric wall buckling

The random buckling patterns of nanoscale dielectric walls are analyzed using a nonlinear multi-scale stochastic method that combines experimental measurements with simulations. The dielectric walls, approximately 200 nm tall and 20 nm wide, consist of compliant, low dielectric constant (low-k) fins capped with stiff, compressively stressed TiN lines that provide the driving force for buckling. The deflections of the buckled lines exhibit sinusoidal pseudoperiodicity with amplitude fluctuation and phase decorrelation arising from stochastic variations in wall geometry, properties, and stress state at length scales shorter than the characteristic deflection wavelength of about 1000 nm. The buckling patterns are analyzed and modeled at two length scales: a longer scale (up to 5000 nm) that treats randomness as a longer-scale measurable quantity, and a shorter-scale (down to 20 nm) that treats buckling as a deterministic phenomenon. Statistical simulation is used to join the two length scales. Through this approach, the buckling model is validated and material properties and stress states are inferred. In particular, the stress state of TiN lines in three different systems is determined, along with the elastic moduli of low-k fins and the amplitudes of the small-scale random fluctuations in wall properties—all in the as-processed state. The important case of stochastic effects giving rise to buckling in a deterministically sub-critical buckling state is demonstrated. The nonlinear multiscale stochastic analysis provides guidance for design of low-k structures with acceptable buckling behavior and serves as a template for how randomness that is common to nanoscale phenomena might be measured and analyzed in other contexts.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2026

ClassNMSW- a real-time classification approach for non-recycled municipal solid waste using hyperspectral imaging

Real-time classification of non-recycled municipal solid waste (NMSW) is essential for efficient valorization. This study introduces ClassNMSW, a comprehensive framework for classifying 22 NMSW subclasses under industrial constraints by using hyperspectral imaging (HSI). A primary innovation of this work is the development of a variance-controlled spectral extraction algorithm. Unlike traditional methods that rely on simple averaging, this approach systematically investigates the extent of pixel extraction to minimize the loss of critical chemical information while maximizing data reduction thus ensuring high spectral fidelity with low computational cost. The approach developed in this work integrates automated, computer-vision-based background removal, eliminating the need for the manual thresholding common in current literature. To resolve ambiguities among chemically similar subclasses, a tiered classification and multi-camera fusion strategy (NIR17 and NIR22) is implemented. Results demonstrate that ClassNMSW achieves an object-wise weighted accuracy of 98.70% for single-sensor configurations and 100% under sensor fusion. A novel rolling-window strategy satisfies desired end-to-end latency of <2 s, satisfying the strict deterministic requirements of high-speed industrial sorting environments. The ClassNMSW framework provides a scalable foundation for advancing circularity and resource recovery in large-scale waste valorization operations.

99 - GENERAL AND MISCELLANEOUS↗