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DOE OSTI2021

Fault Location Using the Natural Frequency of Oscillation of Current Discharge in MTdc Networks

This paper discusses a novel offline-fault location approach using single ended measurements. The natural dissipation of the circuit parameters are considered for fault location. A relationship between the damped natural frequency of oscillation of the transmission line current and fault location is established. The hybrid dc circuit breaker (dcCB) interrupts the fault current, whereby the transmission line current attenuates under the absence of any driving voltage source. The line capacitance discharges into the fault at a specific frequency of oscillation and rate of attenuation. Utilizing this information, the fault location in a multi-terminal direct current (MTdc) network can be obtained. A three terminal radial model of a MTdc is used for performance evaluation of the proposed method using Power System Computer Aided Design (PSCAD)/Electromagnetic Transients including dc (EMTdc).

42 ENGINEERING↗

DOE OSTI2022

Mitigating the Impacts of Uncertain Geomagnetic Disturbances on Electric Grids: A Distributionally Robust Optimization Approach

Severe geomagnetic disturbances (GMDs) increase the magnitude of the electric field on the Earth’s surface (E-field) and drive geomagnetically-induced currents (GICs) along the transmission lines in electric grids. These additional currents can pose severe risks, such as current distortions, transformer saturation and increased reactive power losses, each of which can lead to system unreliability. Today several mitigation actions (e.g., changing grid topology) exist that can reduce the harmful GIC effects on the grids. Making such decisions can be challenging, however, because the magnitude and direction of the E-field are uncertain and non-stationary. In this paper, we model uncertain E-fields using the distributionally robust optimization (DRO) approach that determines optimal transmission grid operations such that the worst-case expectation of the system cost is minimized. We also capture the effect of GICs on the nonlinear AC power flow equations. For solution approaches, we develop an accelerated column-and-constraint generation (CCG) algorithm by exploiting a special structure of the support set of uncertain parameters representing the E-field. Extensive numerical experiments based on “epri-21” and “uiuc-150” systems, designed for GMD studies, demonstrate (i) the computational performance of the accelerated CCG algorithm, (ii) the superior performance of distributionally robust grid operations that satisfy nonlinear, nonconvex AC power flow equations and GIC constraints, in comparison with standard stochastic programming-based methods during the out-of-sample testing.

42 ENGINEERING↗

DOE OSTI2013

Measurement of breast tissue composition with dual energy cone-beam computed tomography: A postmortem study

Purpose: To investigate the feasibility of a three-material compositional measurement of water, lipid, and protein content of breast tissue with dual kVp cone-beam computed tomography (CT) for diagnostic purposes. Methods: Simulations were performed on a flat panel-based computed tomography system with a dual kVp technique in order to guide the selection of experimental acquisition parameters. The expected errors induced by using the proposed calibration materials were also estimated by simulation. Twenty pairs of postmortem breast samples were imaged with a flat-panel based dual kVp cone-beam CT system, followed by image-based material decomposition using calibration data obtained from a three-material phantom consisting of water, vegetable oil, and polyoxymethylene plastic. The tissue samples were then chemically decomposed into their respective water, lipid, and protein contents after imaging to allow direct comparison with data from dual energy decomposition. Results: Guided by results from simulation, the beam energies for the dual kVp cone-beam CT system were selected to be 50 and 120 kVp with the mean glandular dose divided equally between each exposure. The simulation also suggested that the use of polyoxymethylene as the calibration material for the measurement of pure protein may introduce an error of -11.0%. However, the tissue decomposition experiments, which employed a calibration phantom made out of water, oil, and polyoxymethylene, exhibited strong correlation with data from the chemical analysis. The average root-mean-square percentage error for water, lipid, and protein contents was 3.58% as compared with chemical analysis. Conclusions: The results of this study suggest that the water, lipid, and protein contents can be accurately measured using dual kVp cone-beam CT. The tissue compositional information may improve the sensitivity and specificity for breast cancer diagnosis.

62 RADIOLOGY AND NUCLEAR MEDICINE↗

DOE OSTI2015

SU-E-I-52: Effect of Various X-Ray Beam Qualities On the Exposure Index

Purpose: The exposure index (EI) proposed by the International Electrotechnical Commission (IEC) 62494-1 is expected to be utilized as a standard dose index by every manufacturer. The IEC recommended the usage of RQA5 for the EI. However, X-ray beam qualities, particularly in clinical practices, vary depending on the examination objects and exposure conditions, including usage of anti-scatter grids. We investigated the effects of the X-ray beam qualities other than RQA5 on the EI. Methods: The Xray beam qualities of RQA3, 5, 7, and 9 in IEC 61267 Ed. 1.0 were adopted in a computed radiography system. A uniform exposure without objects was performed to measure the exposure indicators (S values) and air kerma (K). The relational equations between the S values and K were derived for the determination of the EI values. The EI values for RQA3, 7, and 9 were compared to those for RQA5 at the fixed S values of 100, 200, 400, and 600. Finally, the half-value layers (HVLs) using four grids (ratio 6:1, 8:1, 10:1, and 12:1) for the RQA5 X-ray were compared to those with RQA3–9. Results: The EI values for RQA3, 7, and 9 were up to 35.3%, 11.8%, and 38.7% higher, respectively, than that for RQA5 at the S value of 600. The HVLs without grids and with various grids for RQA5 were 6.85 mm Al. and in the range of 6.94–7.29 mm Al. (ΔHVL: up to 0.44 mm Al.), respectively. This variation in the HVLs with grids was smaller than that observed for RQA3–9 (ΔHVL: 2.0–7.5 mm Al.). Conclusion: Although the usage of grids may not greatly affect the EI, the X-ray beam quality for the determination of the EI cannot be ignored in the clinical evaluation of the dose index.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

DOE OSTI2021

CApp v.1.0.0

SAND2021-6830 O Capp is a minimal package manager that supports the dependencies of one application. Its value in comparison to other package managers is its high portability across operating systems and its simplicity and usability for High Performance Computing (HPC) programmers. Sandia National Laboratories is a multimission laboratory managed and operated by National Technology & Engineering Solutions of Sandia, LLC, a wholly owned subsidiary of Honeywell International Inc., for the U.S. Department of Energy’s National Nuclear Security Administration under contract DE-NA0003525.

Ibanez, Daniel↗

DOE OSTI2012

The Portals 4.0 Network Programming Interface

This report presents a specification for the Portals 4.0 network programming interface. Portals 4.0 is intended to allow scalable, high-performance network communication between nodes of a parallel computing system. Portals 4.0 is well suited to massively parallel processing and embedded systems. Portals 4.0 represents an adaption of the data movement layer developed for massively parallel processing platforms, such as the 4500-node Intel TeraFLOPS machine. Sandia’s Cplant cluster project motivated the development of Version 3.0, which was later extended to Version 3.3 as part of the Cray Red Storm machine and XT line. Version 4.0 is targeted to the next generation of machines employing advanced network interface architectures that support enhanced offload capabilities.

Barrett, Brian W.↗

DOE OSTI2013

The portals 4.0.1 network programming interface.

This report presents a specification for the Portals 4.0 network programming interface. Portals 4.0 is intended to allow scalable, high-performance network communication between nodes of a parallel computing system. Portals 4.0 is well suited to massively parallel processing and embedded systems. Portals 4.0 represents an adaption of the data movement layer developed for massively parallel processing platforms, such as the 4500-node Intel TeraFLOPS machine. Sandia s Cplant cluster project motivated the development of Version 3.0, which was later extended to Version 3.3 as part of the Cray Red Storm machine and XT line. Version 4.0 is targeted to the next generation of machines employing advanced network interface architectures that support enhanced offload capabilities. 3

Barrett, Brian W.↗

DOE OSTI2014

Performance Assessment Modeling and Sensitivity Analyses of Generic Disposal System Concepts

The Used Fuel Disposition Campaign (UFDC) of the U.S. Department of Energy (DOE) Office of Nuclear Energy (NE) is conducting research and development (R&D) on generic deep geologic disposal systems (i.e., repositories) for high-activity nuclear wastes (i.e., used nuclear fuel (UNF) and high-level radioactive waste (HLW)) that exist today or that could be generated in future fuel cycles. This report describes specific activities in FY2014 toward the development of an enhanced generic disposal system modeling and analysis capability that utilizes high performance computing (HPC) environments to simulate important multi-physics phenomena and couplings associated with the potential behavior of a geologic repository for UNF and HLW.

Sevougian, S. David↗

DOE OSTI2018

The Portals 4.2 Network Programming Interface

This report presents a specification for the Portals 4 network programming interface. Portals 4 is intended to allow scalable, high-performance network communication between nodes of a parallel computing system. Portals 4 is well suited to massively parallel processing and embedded systems. Portals 4 represents an adaption of the data movement layer developed for massively parallel processing platforms, such as the 4500-node Intel TeraFLOPS machine. Sandia's Cplant cluster project motivated the development of Version 3.0, which was later extended to Version 3.3 as part of the Cray Red Storm machine and XT line. Version 4 is targeted to the next generation of machines employing advanced network interface architectures that support enhanced offload capabilities.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2019

GridPACK: Library Architecture and Usability Assessment

The LLNL team has carried out extensive analysis of GridPACK code, including two major code reviews (each being a 2-day event) and a vendor emulation exercise, where the team integrated GridPACK library within a third-party application. The code analysis identified a number of areas for improvement of GridPACK code architecture, but it did not find fundamental flaws in the GridPACK design. The team found the GridPACK strategy of developing a software development kit (SDK) for power systems application development to be sound and well aligned with Office of Electricity long term objectives. The SDK aims to provide power systems software vendors an easy access to high performance computing (HPC) libraries.

24 POWER TRANSMISSION AND DISTRIBUTION↗

DOE OSTI2014

The Portals 4.0.2 Networking Programming Interface

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2020

Verification of the DIF3D Software to Support Fast Reactor Analysis

Ongoing design activities at Argonne National Laboratory are requiring a thorough verification of the Argonne Reactor Computation codes be performed. DIF3D is central to this system. The driver for this effort requires the 3D Cartesian, triangular-Z, and hexagonal-Z core geometry options of DIF3D be verified. Previous work identified the DIF3D features required to be verified to support current design activities, features of which are generally applicable to hexagonal-Z fast reactor designs. The scope of this verification effort includes verifying DIF3D’s ability to correctly translate the user’s model in to DIF3D’s preferred format, verifying that options planned for use have the desired effect, and verifying the correctness of the eigenvalue, fixed-source, forward, and adjoint solvers in DIF3D-FD and DIF3D-VARIANT. This manuscript provides the verification tasks and their results with respect to the features needed for current design activities. Since analytic solutions of the neutron diffusion and transport equations are either limited in scope or not possible, multiple tiers of problems unique to each solver and geometry type were implemented. Each of these tiers tests features independent and complementary arguments for why the separate testing of functionalities is acceptable. Finally, this separate testing was also supplemented with a high-level integral check of each the diffusion and transport capabilities and applicable geometries. To accommodate cases which an analytic solution is not feasible, MCNP6.2 was relied upon to provide a higher-order reference solution. This therefore required that the capabilities within MCNP6.2 which were relied upon for this work are also verified in this work. No MCNP discrepancies were noted in this effort. Note that the MCNP6.2 verification included in this work does not stand as a full verification of MCNP6.2, but merely verifies the features used in verifying DIF3D. The verification effort identified no issues that are debilitating or otherwise impactful to design usage of DIF3D, and thus DIF3D version 11.0, release 3012 is considered verified. The types of issues that were identified were predominantly in the areas of: unclear documentation, software bugs which were inconsequential to final results, editing options which were ignored in favor of printing more information than requested, bugs in the outputs of intermediate results, or secondary output binary file information which was not present. While not a bug, this verification report also identified that the algorithm used to evaluate the peak fast flux in a nodal transport solution can be quite unreliable due to the polynomial order used and the location of the peak within the mesh. The authors of the report therefore recommend the usage of the EvaluateFlux software (distributed with ARC) as a more robust alternative.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

DOE OSTI2018

Understanding Soot Development and Thermal Stratification in Combustion Engines through Hyperspectral Non-linear Optical Diagnostics Development

Progress towards next-generation internal combustion engine technologies is dramatically hindered by the complexity of both simulating and measuring key processes, such as thermal stratification and soot formation, in an operating prototype. In general, spectroscopic methods for in-operando probing become limitingly complex at the high pressures and temperature encountered in such systems, and numerical methods for simulating device performance become computationally expensive due to the turbulent flow field, detailed chemistry, and range of important length-scales involved. This report presents parallel experimental and theoretical advances to conquer these limitations. We report the development of high pressure and high temperature ultrafast coherent anti-Stokes Raman spectroscopy measurements, up to a pressure and temperature regime relevant to engine conditions. This report also presents theoretical results using a stochastic one-dimensional turbulence (ODT) model providing insight into the local thermochemical state and its consequences by resolving the full range of reaction-diffusion scales in a stochastic model.

36 MATERIALS SCIENCE↗

DOE OSTI2022

The Portals 4.3 Network Programming Interface

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2024

Verification of the PERSENT Software

Ongoing commercial design activities require a thorough verification of the Argonne Reactor Computation codes to be performed. DIF3D is central to this system and substantial work has been done to verify its accuracy on several identified commercial needs. This manuscript details the verification work done on PERSENT which relies upon the DIF3D for its forward and adjoint flux solution.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2025

Integrating an Industrial Source and Commercial Algae Farm with Innovative CO 2 Transfer Membrane and Improved Strain Technologies

This report describes the overall findings of the research project “Integrating an Industrial Source and Commercial Algae Farm with Innovative CO 2 Transfer Membrane and Improved Strain Technologies”. The motivation and goal for this project were to increase the carbon utilization efficiency (CUE) and areal productivity for algal cultivations, thereby reducing CO 2 costs to cultivation operations and improving economics. This was achieved through a combination of enhanced delivery of inorganic carbon and improved strains of Nannochloropsis oceanica capable of higher rates of bicarbonate uptake and metabolism. The project succeeded in these goals. First, a bubble-free, membrane-based technology was developed for delivering CO 2 to cultivations, which increased the CUE from the 15-20% that is standard in the industry to more than 65%. In addition, N. oceanica was modified to express a bicarbonate transporter protein, BicA, which enabled the cells to grow more quickly. In addition, advances were made in the protein engineering of carbonic anhydrase (CA) for enhanced stability and catalytic performance, the computational fluid dynamics modeling of algal cultivation systems, and in the life-cycle assessment and technoeconomic analysis of algal production. Together, these outcomes contribute to advancing algal cultivation as an economically viable platform for production of fuels, materials, and other chemical products. The project results aid in addressing the dual challenges of reducing atmospheric CO 2 levels and achieving green energy solutions.

09 BIOMASS FUELS↗

DOE OSTI2025

EUREICA: Efficient UltRa Endpoint IoT-enabled Coordinated Architecture

The electricity grid has evolved from a physical system to a cyber-physical system with digital devices that perform measurement, control, communication, computation, and actuation. The increased penetration of distributed energy resources (DERs) that include renewable generation, flexible loads, and storage provides extraordinary opportunities for improvements in efficiency and sustainability. However, they can introduce new vulnerabilities in the form of cyberattacks, which can cause significant challenges in ensuring grid resilience. The purpose of this project was to develop a framework ((Efficient, Ultra-REsilient, IoT-Coordinated Assets, or EUREICA)for achieving grid resilience through suitably coordinated assets including a network of Internet of Things (IoT) devices, and a local electricity market (LEM) to identify trustable assets and carry out this coordination. Situational Awareness (SA) of locally available DERs with the ability to inject power or reduce consumption is enabled by the market, together with a monitoring procedure for their trustability and commitment. Experiments conducted during this project demonstrated that, with this SA, a variety of cyberattacks can be mitigated using local trustable resources without stressing the bulk grid. The demonstrations were carried out using a variety of high-fidelity co-simulation platforms, real-time hardware-in-the-loop validation, and a utility-friendly simulator.

14 SOLAR ENERGY↗

DOE OSTI2026

S4PST: Stewardship and Advancement for Programming Systems and Tools 2024-2025 Project Report

We present the "Stewardship and Advancement of Programming Systems and Tools" (S4PST) project report for the calendar years 2024 and 2025. S4PST is dedicated to the stewardship and advancement of Programming Systems and Tools (PST) mainly targeting high-performance computing (HPC) for the scientific community. The project is part of the funded software stewardship organizations (SSOs) selected by ASCR as part of the NGSST program, and a member of CASS: the Consortiumfor the Advancement of Scientific Software.

97 MATHEMATICS AND COMPUTING↗