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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 91 records · Page 5
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

toughio v1.2.2

TOUGH is a widely used general purpose numerical simulator designed for fluid and heat flows of multiphase, multicomponent fluid mixtures in porous and fractured media, which has been applied to many real-world problems such as underground geological storage, geothermal reservoir engineering or nuclear waste disposal, to name a few. `toughio` is a lightweight, object-oriented and vectorized Python library that aims to provide user-friendly routines to facilitate pre- and post-processing of a TOUGH simulation. Although its primary target is the latest version TOUGH3, `toughio` can also be used to read/write TOUGH2 input/output files. Currently, to the best of our knowledge, only PyTOUGH offers an exhaustive number of features to carry out a complete TOUGH simulation using a scripting language. `toughio` and PyTOUGH share the same objectives, yet with different approaches and philosophies. On the one hand, a PyTOUGH mesh is represented as a MULGRAPH geometry where elements can be unstructured horizontally but only layered vertically. It also checks that the model parameters are valid to ensure that a TOUGH simulation runs smoothly. On the other hand, although it provides basic meshing features, `toughio` mostly relies on common third-party softwares (e.g. Abaqus, FLAC3D, Gmsh, LaGriT) to generate the mesh by importing and converting it to a TOUGH mesh, which also conveniently facilitates the coupling of TOUGH with any other simulator that also supports the same mesh formats. Besides, `toughio` is designed to be just a TOUGH input and output file reader/writer. It assumes that the user knows what he is doing and does not verify the validity of the model parameters (`toughio` does verify the functional arguments).

Luu, Keurfon↗
DOE OSTI2021

OptimiSM v.0.0.1

SAND2021-15062 O OptimiSM is a library for solving solid mechanics problems and for rapid prototyping of computational solid mechanics research ideas. It was originally created to facilitate research and development of algorithms for contact mechanics. It is a realization of a philosophy that problems can be represented with variational least-action principles, even when there is history-dependent material behavior and contact. This opens the door to using powerful methods from non-convex optimization for solutions. The code was successful in its original purpose, but along the way, the authors realized that it could be of general use to the computational solid mechanics research community as an R&D platform. 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.

Talamini, Brandon↗
DOE OSTI2024

Dispatch Optimization Variable Engine

The Dispatch Optimization Variable Engine (DOVE) is software tool written in python, developed at Idaho National Laboratory (INL) that provides an easily accessible application-programming-interface (API) to performing resource dispatch optimization analysis for integrated energy system (IES) configurations. DOVE is an integral part of the Framework for Optimization of Resources and Economics (FORCE) software suite and is leveraged by codes such as the Holistic Energy Resource Optimization Network (HERON) and the Optimization of Real-Time Capacity Allocation (ORCA). The philosophy behind DOVE is to provide a modular software solution to IES planning and operation by utilizing state-of-the-art algorithms and machine learning. The goal is to accurately capture the dispatching behavior of a complex energy system given varying time-dependent signals for demand and commodity pricing.

McDowell, DylanJ. [Idaho National Laboratory (INL)↗
DOE OSTI2024

Ginkgo - A math library designed to accelerate Exascale Computing Project science applications

Large-scale simulations require efficient computation across the entire computing hierarchy. A challenge of the Exascale Computing Project (ECP) was to reconcile highly heterogeneous hardware with the myriad of applications that were required to run on these supercomputers. Mathematical software forms the backbone of almost all scientific applications, providing efficient abstractions and operations that are crucial to harness the performance of computing systems. Ginkgo is one such mathematical software library, nurtured by ECP, providing high-performance, user-friendly, and performance portable interfaces for applications in ECP and beyond. In this paper, we elaborate on Ginkgo’s philosophy of high-performance software that is sustainable, reproducible, and easy to use. We showcase the wide feature set of solvers and preconditioners available in Ginkgo and the central concepts involved in their design. We elaborate on four different ECP software integrations: MFEM, PeleLM + SUNDIALS, XGC, and ExaSGD that use Ginkgo to accelerate their science runs. Performance studies of different problems from these applications highlight the effectiveness of Ginkgo and the benefits incurred by these ECP applications.

Cojean, Terry↗
DOE OSTI2022

Side-lobe reduction by cascading Bragg grating filters on a Si-photonic chip

Bragg-grating based cavities and coupler designs present opportunities for flexible allocation of bandwidth and spectrum in silicon photonic devices. Integrated silicon photonic devices are moving toward mainstream, mass adoption, leading to the need for compact Bragg grating based designs. In this work we present a design and experimental validation of a cascaded contra-directional Bragg-grating coupler with a measured main lobe to side-lobe contrast of 12.93 dB. This level of performance is achieved in a more compact size as compared to conventional apodized gratings, and a similar design philosophy can be used to improve side-lobe reduction in grating-based mirror design for on-chip lasers and other cavity-based designs as well.

42 ENGINEERING↗
DOE OSTI2020

Scalable, resilient, and configurable permissioned blockchain fabric

With the advent of Bitcoin, the interest of the database community in blockchain systems has steadily grown. Many existing blockchain applications use blockchains as a platform for monetary transactions, however. We deviate from this philosophy and present ResilientDB, which can serve in a suite of non-monetary data-processing blockchain applications. Our ResilientDB uses state-of-the-art technologies and includes a novel visualization that helps in monitoring the state of the blockchain application.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2023

Higher order mode analysis of a 915 MHz 2-cell cavity for a prototype industrial accelerator

A possible solution to reduce the complexity posed by the cryogenic systems in a superconducting RF accelerator for industrial applications, is to capitalize on the advances achieved by the Nb3Sn superconducting RF technology, as well as the feasibility of a reliable 4 K cooling system, based on commercial cryocoolers. Following this philosophy, the conceptual design for a prototype, conduction-cooled, 4 MeV, 20 kW SRF electron linac, is being developed at Jefferson Lab. Such design is based on a 915 MHz two-cell Nb3Sn cavity. In this contribution, we present the proposed cavity design, including the fundamental power coupler, and the analysis of the Higher Order Modes, using numerical simulations to estimate the potentially dangerous modes and to provide the requirements for damping for reliable operations with a cryocooler.

Rimmer, Robert↗
DOE OSTI2022

The ITensor Software Library for Tensor Network Calculations

ITensor is a system for programming tensor network calculations with an interface modeled on tensor diagrams, allowing users to focus on the connectivity of a tensor network without manually bookkeeping tensor indices. The ITensor interface rules out common programming errors and enables rapid prototyping of algorithms. After discussing the philosophy behind the ITensor approach, we show examples of each part of the interface including Index objects, the ITensor product operator, tensor factorizations, tensor storage types, algorithms for matrix product state (MPS) and matrix product operator (MPO) tensor networks, quantum number conserving block sparse tensors, and the NDTensors library. We also review publications that have used ITensor for quantum many-body physics and for other areas where tensor networks are increasingly applied. To conclude we discuss promising features and optimizations to be added in the future.

Fishman, Matthew↗
DOE OSTI2022

Codebase release 0.3 for ITensor

ITensor is a system for programming tensor network calculations with an interface modeled on tensor diagrams, allowing users to focus on the connectivity of a tensor network without manually bookkeeping tensor indices. The ITensor interface rules out common programming errors and enables rapid prototyping of algorithms. After discussing the philosophy behind the ITensor approach, we show examples of each part of the interface including Index objects, the ITensor product operator, tensor factorizations, tensor storage types, algorithms for matrix product state (MPS) and matrix product operator (MPO) tensor networks, quantum number conserving block sparse tensors, and the NDTensors library. We also review publications that have used ITensor for quantum many-body physics and for other areas where tensor networks are increasingly applied. To conclude we discuss promising features and optimizations to be added in the future.

Fishman, Matthew↗
DOE OSTI2022

A comprehensive guide to the physics and usage of PYTHIA 8.3

This manual describes the Pythia event generator, the most recent version of an evolving physics tool used to answer fundamental questions in particle physics. The program is most often used to generate high-energy-physics collision “events”, i.e. sets of particles produced in association with the collision of two incoming high-energy particles, but has several uses beyond that. The guiding philosophy is to produce and re-produce properties of experimentally obtained collisions as accurately as possible. The program includes a wide ranges of reactions within and beyond the Standard Model, and extending to heavy ion physics. Emphasis is put on phenomena where strong interactions play a major role. The manual contains both pedagogical and practical components. All included physics models are described in enough detail to allow the user to obtain a cursory overview of used assumptions and approximations, enabling an informed evaluation of the program output. A number of the most central algorithms are described in enough detail that the main results of the program can be reproduced independently, allowing further development of existing models or the addition of new ones. Finally, a chapter dedicated fully to the user is included towards the end, providing pedagogical examples of standard use cases, and a detailed description of a number of external interfaces. The program code, the online manual, and the latest version of this print manual can be found on the Pythia web page: https://www.pythia.org/.

Bierlich, Christian↗
DOE OSTI2022

Codebase release 8.3 for PYTHIA

This manual describes the Pythia event generator, the most recent version of an evolving physics tool used to answer fundamental questions in particle physics. The program is most often used to generate high-energy-physics collision “events”, i.e. sets of particles produced in association with the collision of two incoming high-energy particles, but has several uses beyond that. The guiding philosophy is to produce and re-produce properties of experimentally obtained collisions as accurately as possible. The program includes a wide ranges of reactions within and beyond the Standard Model, and extending to heavy ion physics. Emphasis is put on phenomena where strong interactions play a major role. The manual contains both pedagogical and practical components. All included physics models are described in enough detail to allow the user to obtain a cursory overview of used assumptions and approximations, enabling an informed evaluation of the program output. A number of the most central algorithms are described in enough detail that the main results of the program can be reproduced independently, allowing further development of existing models or the addition of new ones. Finally, a chapter dedicated fully to the user is included towards the end, providing pedagogical examples of standard use cases, and a detailed description of a number of external interfaces. The program code, the online manual, and the latest version of this print manual can be found on the Pythia web page: https://www.pythia.org/.

Bierlich, Christian↗
DOE OSTI2020

Advanced Analysis of Plutonium: Pre- and Post-Detonation Scenarios

A Dissertation Presented for the Doctor of Philosophy Degree in Nuclear Engineering. Overarching research question: Do nuclear reactions in surface environment lead to distinctive chemical and isotopic signatures that are not present in nature? Testable hypothesis: Nuclear processes will lead to distinctive chemical and isotopic patterns of partitioning because high-temperature processes under high radiation rarely occur in natural surface environment.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗
DOE OSTI2020

Parsimonious Inference Information-Theoretic Foundations for a Complete Theory of Machine Learning (CIS-LDRD Project 218313 Final Technical Report)

This work examines how we may cast machine learning within a complete Bayesian framework to quantify and suppress explanatory complexity from first principles. Our investigation into both the philosophy and mathematics of rational belief leads us to emphasize the critical role of Bayesian inference in learning well-justified predictions within a rigorous and complete extended logic. The Bayesian framework allows us to coherently account for evidence in the learned plausibility of potential explanations. As an extended logic, the Bayesian paradigm regards probability as a notion of degrees of truth. In order to satisfy critical properties of probability as a coherent measure, as well as maintain consistency with binary propositional logic, we arrive at Bayes' Theorem as the only justifiable mechanism to update our beliefs to account for empiracle evidence. Yet, in the machine learning paradigm, where explanations are unconstrained algorithmic abstractions, we arrive at a critical challenge: Bayesian inference requires prior belief. Conventional approaches fail to yield a consistent framework in which we could compare prior plausibility among the infinities of potential choices in learning architectures. The difficulty of articulating well-justified prior belief over abstract models is the provinence of memorization in traditional machine learning training practices. This becomes exceptionally problematic in the context of limited datasets, when we wish to learn justifiable predictions from only a small amount of data.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2020

Development of Control System Functional Capabilities within the IES Plug-and-Play Simulation Environment

The concept of an Integrated Energy System (IES) is meant to combine different energy technologies in synergistic ways to achieve a more secure and economical energy supply. The RAVEN-based HYBRID framework is used to find the optimal installed capacity and the optimal economical dispatch of each component of the IES. A new RAVEN (Risk Analysis Virtual ENvironment) plugin for grid and capacity optimization (HERON) has been developed for optimizing the production variables of the IES given the demand profile. Currently, only the limits that affect the production variables and their corresponding time rates of change are considered (explicit constraints). However, other variables are additionally subject to constraints, but the associated limits are not accounted for (implicit constraints). In particular, for the power dispatch problem, the optimization algorithm takes into account the limits on the electrical power output and the corresponding hourly power variations but does not consider other constraints on process variables whose response effects the service life of the IES. This report describes a scheme that allows accounting for implicit constraints without increasing the size of the optimization problem. The Reference Governor (RG) algorithm is traditionally used for enforcing state and control constraints by modifying the set-point trajectories supplied to the feedback regulators. In our application, the RG is coupled within an iterative loop with the HERON-power dispatcher to generate optimal trajectories that ensure the operational constraints are met. A data-driven procedure to derive a representation of the dynamics of the controlled system was developed. First, the variables that represented the state of the system are selected (PCA-based approach), and then state-space representation matrices are derived from the collected measurements (DMDc algorithm). A preliminary version of the developed workflow based on Linear Time Invariant matrices was assessed by adopting a two-unit test case. More sophisticated versions of this workflow foreseeing the on-line derivation of system matrices will be deployed in FY 2021. Finally, a “plug-and-play” library of controllers and state observers was developed in Dymola. Some aspects of the current configuration of the IES unit components, e.g., the encapsulation of the control schemes into dedicated blocks, are consistent with the “plug-and-play” philosophy. Other features, e.g., the system buses collecting the input and the output variables, are not. For this reason, once listed and described the limits of the current configuration, necessary modifications to the plant model interface are presented. As a test-case, the interfaces of the SES model in the RAVEN-based HYBRID framework were reworked accordingly, and two different control schemes were applied to the same plant model.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2021

Wyandotte Integrated Renewable Energy Strategy (WIRES 2) (Final Technical Report)

Wyandotte Municipal Services (WMS), a Michigan Municipal Utility offering electric generation, transmission & distribution, water filtration & distribution and Broadband/Video sought to deploy a set of renewable energy projects for their Electric Utility that contributed to reducing the City’s environmental and energy impact, provided examples that would encourage businesses and citizens to adopt cleaner energy practices and help WMS meet the required renewable energy standards of the State of Michigan (10% in 2015, 15% in 2021). WMS generates and delivers roughly 280,000 megawatt hours (MWh) of electricity annually to more than 10,000 homes and 1,000 businesses within the City of Wyandotte. The Wyandotte Integrated Renewable Energy Strategy – WIRES 2 resulted in deployment of a set of community-scale micro-wind turbines, evaluation and installation of energy-efficient and low-maintenance light-emitting diode (LED) street lights and park lights in highly visible locations in the City and expansion of the geothermal heating and cooling district that already included residential geothermal systems, to include larger scale business/institutional systems at the Utility’s largest electric customer and at the City Library. Finally, WMS identified the need for job training in energy efficiency and renewable energy technologies to further develop a local skilled workforce in these areas. Partially funded by the grant, the wind turbine project provides a benchmark for WMS, local businesses and residents in the evaluation of utility-scale wind v. micro-wind in an urban environment as a renewable energy strategy. Also partially funded by the grant, the LED project benefited the City of Wyandotte by reducing load on the electric system for the public utility but also reduced City costs for streetlighting, parking lot lighting and park lighting without a compromise in security. The project also resulted in a visual success that has led to additional approvals for non-Grant related LED lighting installations resulting in further reduction in the electric load in the City. Commercial Geothermal installations resulted in the Utility being able to eliminate steam customers who formerly utilized the byproduct of steam from WMS electric production. Due to the reduction in natural gas prices and the overall reduction in market purchased power, it was no longer feasible for WMS to operate its Power Plant as a base load plant and to only operate on a market dispatch philosophy when market prices dictated that WMS could produce electricity cheaper than the market purchase price. This has resulted in fewer operating days for the WMS Power Plant, resulting in less environmental impact. WMS has now completely exited the steam business and the ability to offer a geothermal option to two (2) former steam customers (BASF-Wyandotte and the Bacon Memorial Library) allowed for that. In addition, peak loads have been shaved for these two (2) large customers due to the consistent temperature offered by geothermal heating and cooling, reducing the swings associated with thermostat changes caused by outside temperature changes during extreme high and low temperatures. Finally, energy efficiency and renewable energy college-level classes at Wayne County Community College allowed a group of interested students to pursue studies in those technologies through grant provided tuition, books and course materials. This effort provided a foundation of potential future employees not only for WMS but other energy efficiency/renewable energy employers such as Franklin Energy, a partner with WMS in energy optimization efforts with Wyandotte businesses.

17 WIND ENERGY↗
DOE OSTI2021

Ion Exchange Processing of AP-105 Hanford Tank Waste through Crystalline Silicotitanate in a Staged 2- then 3-Column System

The U.S. Department of Energy (DOE) is working to expedite processing of Hanford tank waste supernate at the Hanford Waste Treatment and Immobilization Plant (WTP). To support this goal, Washington River Protection Solutions, LLC (WRPS, Richland, WA) is designing a system for suspended solids and cesium (Cs/ 137 Cs) removal from Hanford tank waste supernate. The effluent will then be sent to the WTP Low-Activity Waste (LAW) Facility for vitrification. The Cs removal is critical for eliminating the high dose rate associated with 137 Cs and facilitating a contact maintenance philosophy for the LAW Facility. The maximum 137 Cs concentration in the LAW sent to the WTP is targeted to be below the 3.18E-5 Ci 137 Cs/mole of Na waste acceptance criteria (WAC) limit. The filtration and ion exchange systems will be placed near the Hanford tanks and are collectively termed the Tank Side Cesium Removal (TSCR) system.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2020

An Update on Cardinal: Toward Full Core Pebble Simulations

The new DOE-NE Center of Excellence for Thermal-fluids applications in Nuclear Energy inaugurated in April 2018 considers and researches novel new solution strategies for historically challenging flow issues that still plague the current fleet of deployed Light Water nuclear Reactors (LWRs) as well as predicting various fluid flow and fluid related issues with advanced reactor technologies. Our advanced thermal-fluids research and development approach synergistically combines three natural, though overlapping, length and time scales in a hierarchal multi-scale approach to avoid the temptation and pitfalls of attempting to develop a single solve-all algorithm for physical fluid flow problems that will span nine orders of magnitude in spatial and temporal scales. To demonstrate the multi-scale philosophy of the center we focus on Fluoride Cooled High Temperature Reactors (FHRs), and in particular on the Berkley’s PB-FHR Mark-I design. The Fluoride salt cooled High temperature Reactor (FHR) is a class of advanced nuclear reactors that combine the robust coated particle fuel form from high temperature gas cooled reactors, direct reactor auxiliary cooling system (DRACS) passive decay removal of liquid metal fast reactors, and the transparent, high volumetric heat capacitance liquid Fluoride salt working fluids - such as Flibe - from molten salt reactors. This combination of fuel and coolant enables FHRs to operate in a high-temperature low-pressure design space that has beneficial safety and economic implications. The PB-FHR reactor relies on a pebble bed approach and pebble bed reactors are in a sense the poster child for multi-scale analysis. The lower length-scale simulator for pebble reactor cores comprises three physics: neutronics (OpenMC), thermal-fluids (Nek5000/NekRS) and fuel performance (BISON). As part of Center of Excellence ongoing research efforts we have developed Cardinal, a new tool platform for lower length-scale simulation. Cardinal tightly couples all three physics and leverages advances in MOOSE such as the MultiApp system and the concept of MOOSE-wrapped Apps. The present report provides an update on the development of Cardinal with an extension of Cardinal to GPUs. We also perform a first-of-a-kind demonstration simulation on Summit representing a 10x capability increase in terms of pebble count for Cardinal.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2021

Plutonium and poetry: Where Trinity and Oppenheimer's reading habits met Literary inspirations, correcting misinterpretation of his famous quote

The Lab’s first director, J. Robert Oppenheimer, was a man of sonnets and scientific synthesis. Oppenheimer’s work at Los Alamos was defined not only by physics and administrative skill, but also by a life philosophy inspired, in part, by literature. The Trinity test, which took place 76 years ago on July 16th in the New Mexico desert, epitomizes this. Known as one of the greatest scientific achievements ever, the successful detonation of the world’s first nuclear weapon marked the dawn of the Atomic Age. Created in just 27, albeit harrowing, months, Oppenheimer and his team at the Los Alamos Lab worked nonstop on this clandestine effort to help end World War II. As he had done throughout his life, Oppenheimer continued to foster his love of literature during the Manhattan Project. Two of his influences were John Donne and the Hindu scripture Bhagavad-Gita. Oppenheimer recalled both during the Trinity test.

96 KNOWLEDGE MANAGEMENT AND PRESERVATION↗