Search NASA⌕ Search

SEARCH · Search NASA

Results for “PATH INTEGRALS”

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 1,099 records · Page 61
All sourcesNASA NTRSDOE OSTI
DOE OSTI2019

Win-Win Regulatory Strategies in Idaho - 19241

During the course of any waste management or environmental remediation project, the earliest goals must include the creation and maintenance of mutual trust, respect, and cooperation with regulatory agencies and stakeholders. The heavy equipment and treatment systems remain idled until bounding characterization and risk analysis is complete, technical and functional requirements are identified, required controls and limits are established, and the proper permits and approvals are issued. Once a project receives approval to start up or break ground, the regulatory process has only just begun. Process modifications and improvements, as well as unexpected events, will continue to necessitate further reviews, discussions, and approvals. Building healthy professional relationships with the regulatory community and consistently meeting or exceeding their expectations, while operating within controls, is a cornerstone to jointly finding cost-effective solutions to complex issues, and streamlining the path to success. Navigating the optimal routes to compliance through the myriad regulatory waypoints is essential to avoiding schedule delays, staying within budget, and keeping clients continuously satisfied and delighted. Two complex case studies from the Idaho Cleanup Project Core will examine regulatory communication and integration strategies that have proven effective to date in obtaining timely approvals and maintaining compliance: (1) conducting Decontamination and Decommissioning as non-time critical removal actions (NTCRA) under CERCLA, and (2) preparing the integrated documentation necessary to obtain DOE, EPA, DEQ, and NRC approvals to close calcine storage units at the Idaho Nuclear Technology and Engineering Center (INTEC). (author)

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

The physics basis to integrate an MHD stable, high-power hybrid scenario to a cool divertor for steady-state reactor operation

Abstract Coupling a high-performance core to a low heat flux divertor is a crucial step for ITER and a Fusion Pilot Plant or DEMO. Experiments in DIII-D recently expanded the steady-state hybrid scenario to high density and divertor impurity injection to study the feasibility of a radiating mantle solution. This work presents the physics basis for trade-offs between density, current drive and stability to tearing modes (TMs) at high β. EC power is crucial to tailor the plasma profiles into a passively stable state, and to eject impurities from the core. Off-axis EC depositions decrease the heating efficiency, but calculated electron heat transport coefficients show that this effect is partially mitigated by improved confinement inside the EC deposition. Additionally, the reduction in pressure is recovered by increasing the density. This favourable scaling of confinement with density was observed in high power plasmas for years, and this work provides a comprehensive explanation. ELITE predictions indicate that a path in peeling-ballooning stability opens up for certain conditions of density, power, q 95 and shaping, allowing the edge pressure to continue increasing without encountering a limit. In the core, calculated anomalous fast-ion diffusion coefficients are consistent with density fluctuation measurements in the toroidicity-induced Alfvén eigenmode range, showing that smaller fast-ion losses contribute to the enhanced confinement at high density. The edge integration study shows that divertor heat loads can be reduced with Ne and Ar injection, but this eventually triggers a cascade of n = 1, 2, 3 core TMs. We can now show that impurity radiation in the core is small and it is not the cause for the drop in confinement at high Ar and Ne injection rates. The overlap between the core TMs is consistent with the loss of pressure as estimated by the Belt model for the coupled rational surfaces. Optimization of these trade-offs has achieved plasmas with sustained H 98y2 = 1.7, f GW = 0.7 and ∼85% mantle radiation. The scenario and its variations at higher density and on- vs off-axis EC heating has been studied as a candidate for an integrated solution for several reactor designs, such as ITER, ARC, and the ARIES-ACT1 case, showing promising results in terms of fusion power and gain.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2019

Balar: A SST GPU Component for Performance Modeling and Profiling

Programmable accelerators have become commonplace in modern computing systems. Advances in programming models and the availability of massive amounts of data have created a space for massively parallel accelerators capable of maintaining context for thousands of concurrent threads resident on-chip. These threads are grouped and interleaved on a cycle-by-cycle basis among several massively parallel computing cores. One path for the design of future supercomputers relies on an ability to model the performance of these massively parallel cores at scale. The SST framework has been proven to scale up to run simulations containing tens of thousands of nodes. A previous report described the initial integration of the open-source, execution-driven GPU simulator, GPGPU-Sim, into the SST framework. This report discusses the results of the integration and how to use the new GPU component in SST. It also provides examples of what it can be used to analyze and a correlation study showing how closely the execution matches that of a Nvidia V100 GPU when running kernels and mini-apps.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2021

SST-GPU: A Scalable SST GPU Component for Performance Modeling and Profiling

Programmable accelerators have become commonplace in modern computing systems. Advances in programming models and the availability of unprecedented amounts of data have created a space for massively parallel accelerators capable of maintaining context for thousands of concurrent threads resident on-chip. These threads are grouped and interleaved on a cycle-by-cycle basis among several massively parallel computing cores. One path for the design of future supercomputers relies on an ability to model the performance of these massively parallel cores at scale. The SST framework has been proven to scale up to run simulations containing tens of thousands of nodes. A previous report described the initial integration of the open-source, execution-driven GPU simulator, GPGPU-Sim, into the SST framework. This report discusses the results of the integration and how to use the new GPU component in SST. It also provides examples of what it can be used to analyze and a correlation study showing how closely the execution matches that of a Nvidia V100 GPU when running kernels and mini-apps.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2021

Interconnect architecture for three-dimensional processing systems

A processing system includes a plurality of processor cores formed in a first layer of an integrated circuit device and a plurality of partitions of memory formed in one or more second layers of the integrated circuit device. The one or more second layers are deployed in a stacked configuration with the first layer. Each of the partitions is associated with a subset of the processor cores that have overlapping footprints with the partitions. The processing system also includes first memory paths between the processor cores and their corresponding subsets of partitions. The processing system further includes second memory paths between the processor cores and the partitions.

Jayasena, Nuwan S.↗
DOE OSTI2020

Panel Session 110B: US DOE High-Level Radioactive Waste (HLW) Interpretation

This panel focused on the US DOE High-Level radioactive Waste (HLW) definition interpretation. Discussion integrated topics such as the issuance of the HLW interpretation Federal Registration Notice, the status of the draft Environmental Assessment that analyzes the treatment and commercial disposal of up to 10,000-gallons of SRS Defense Waste Processing Facility recycle wastewater in South Carolina, and the path forward. Panelists with presentations: Status on the Environmental Assessment for the Commercial Disposal of Defense Waste Processing Facility Recycle Wastewater from SRS (Theresa Kliczewski); Enhancing Stakeholder Engagement on the HLW interpretation (Kara Colton, Rick McLeod); Technical Aspects of Potential Disposal of SRS DWPF Recycle Wastewater (Kent Rosenberger)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2024

Cybersecurity Considerations and Research Pathways for Grid-Interactive Efficient Buildings

Federal facilities serve critical missions and functions that require safe, reliable, and efficient operations. Digitization of several facility operations has increased the cost-effectiveness of energy usage and optimization of energy system performance. As the building controls landscape shifts to become more connected and smarter, building operators now face unique opportunities and challenges to adopt smart enabled devices that can lower energy usage while also optimizing building system performance. The grid-interactive efficient buildings (GEB) initiative aims to make buildings cleaner and more flexible through these smart devices. Smart enabled devices allow greater connectivity and control through remote operations and provide crucial data for analytics and increased efficiency. GEBs enable demand flexibility that has the potential to reduce electrical costs and transform the grid edge where buildings connect to power grids. This operation of interconnected systems, if not designed with cybersecurity practices, causes security gaps and introduces potential attack paths by adversarial and non-adversarial entities leading to disruption of operations.

building controls↗
DOE OSTI2024

A collision-based hybrid method for the BGK equation

In this article, we apply the collision-based hybrid method introduced by Hauck and McClarren to the Boltzmann equation with the BGK operator and a hyperbolic scaling. An implicit treatment of the source term is used to handle stiffness associated with the BGK operator. Although it helps the numerical scheme become stable with a large time step size, it is still not obvious to achieve the desired order of accuracy due to the relationship between the size of the spatial cell and the mean free path. Without asymptotic preserving property, a very restricted grid size is required to resolve the mean free path, which is not practical. Our approaches are based on the noncollision-collision decomposition of the BGK equation. We introduce the arbitrary order of nodal discontinuous Galerkin (DG) discretization in space with a semi-implicit time-stepping method; we employ the backward Euler time integration for the uncollided equation and the 2nd order predictor-corrector scheme for the collided equation, i.e., both source terms in uncollided and collided equations are treated implicitly and only streaming term in the collided equation is solved explicitly. This improves the computational efficiency without the complexity of the numerical implementation. Numerical results are presented for various Knudsen numbers to present the effectiveness and accuracy of our hybrid method. Also, we compare the solutions of the hybrid and non-hybrid schemes.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2018

Importance sampling large deviations in nonequilibrium steady states. I

Large deviation functions hold information on the stability and response of systems driven into nonequilibrium steady states and in such a way are similar to free energies for systems at equilibrium. As with equilibrium free energies, evaluating large deviation functions numerically for all but the simplest systems is difficult because by construction they depend on exponentially rare events. In this first paper of a series, we assess different trajectory-based sampling methods capable of computing large deviation functions of time integrated observables within nonequilibrium steady states. We highlight some convergence criteria and best practices using a number of different models, including a biased Brownian walker, a driven lattice gas, and a model of self-assembly. We show how two popular methods for sampling trajectory ensembles, transition path sampling and diffusion Monte Carlo, suffer from exponentially diverging correlations in trajectory space as a function of the bias parameter when estimating large deviation functions. Improving the efficiencies of these algorithms requires introducing guiding functions for the trajectories.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2018

Simulations of Optical Stochastic Cooling with ELEGANT

Fermilab is pursuing a proof-of-principle test of the Optical Stochastic Cooling (OSC) of 100 MeV electrons in the Integrable Optics Test Accelerator. In support of this we present simulations of horizontal damping with OSC. We find excellent agreement with theory on the amplitude dependent damping rates. Additionally particle tracking is used to confirm the necessity and effectiveness of sextupoles used to correct non-linear path lengthening in the OSC chicane.

43 PARTICLE ACCELERATORS↗
DOE OSTI2015

Fuel Cell Buses in U.S. Transit Fleets: Current Status 2015

This report, published annually, summarizes the progress of fuel cell electric bus (FCEB) development in the United States and discusses the achievements and challenges of introducing fuel cell propulsion in transit. Various stakeholders, including FCEB developers, transit agencies, and system integrators, have expressed the value of this annual status report, which provides a summary of results from evaluations performed by the National Renewable Energy Laboratory. The annual status report tracks the progress of the FCEB industry toward meeting technical targets, documents the lessons learned, and discusses the path forward for commercial viability of fuel cell technology for transit buses. The 2015 summary results primarily focus on the most recent year for each demonstration, from August 2014 through July 2015. The results for these buses account for more than 1,045,000 miles traveled and 83,000 hours of fuel cell power system operation. The primary results presented in the report are from two demonstrations of fuel-cell-dominant bus designs: the Zero Emission Bay Area Demonstration Group led by Alameda-Contra Costa Transit District (AC Transit) in California and the American Fuel Cell Bus Project at SunLine Transit Agency in California.

33 ADVANCED PROPULSION SYSTEMS↗
DOE OSTI2016

On the Use of Coupled Wind, Wave, and Current Fields in the Simulation of Loads on Bottom-Supported Offshore Wind Turbines during Hurricanes: March 2012 - September 2015

In the United States, potential offshore wind plant sites have been identified along the Atlantic seaboard and in the Gulf of Mexico. It is imperative that we define external conditions associated with hurricanes and severe winter storms and consider load cases for which wind turbines may need to be designed. We selected two hurricanes, Ike (2008) and Sandy (2012), and investigated the effect these tropical storms would have on bottom-supported offshore wind turbines that were hypothetically in or close to their path as they made landfall. For realistic turbine loads assessment, it is important that the coupled influences of the changing wind, wave, and current fields are simulated throughout the evolution of the hurricanes. We employed a coupled model--specifically, the University of Miami Coupled Model (UMCM)--that integrates atmospheric, wave, and ocean components to produce needed wind, wave, and current data. The wind data are used to generate appropriate vertical wind profiles and full wind velocity fields including turbulence; the current field over the water column is obtained by interpolated discrete output current data; and short-crested irregular second-order waves are simulated using output directional wave spectra from the coupled model. We studied two monopile-supported offshore wind turbines sited in 20 meters of water in the Gulf of Mexico to estimate loads during Hurricane Ike, and a jacket space-frame platform-supported offshore wind turbine sited in 50 meters of water in the mid-Atlantic region to estimate loads during Hurricane Sandy. In this report we discuss in detail how the simulated hurricane wind, wave, and current output data are used in turbine loads studies. In addition, important characteristics of the external conditions are studied, including the relative importance of swell versus wind seas, aerodynamic versus hydrodynamic forces, current velocity effects, yaw control options for the turbine, hydrodynamic drag versus inertia forces, and soil-structure interaction effects. A detailed framework is presented that explains how coupled inputs can be included in turbine loads studies during a hurricane. This framework can aid in future efforts aimed at developing offshore wind turbine design criteria and load cases related to hurricanes.

16 TIDAL AND WAVE POWER↗
DOE OSTI2024

Alfalfa Virtual Building Service: Software Engineering Best Practices Applied to Runtime Interaction with Building Energy Models

Buildings are active participants in increasingly complex energy systems. Building Energy Modeling (BEM) has a key role to play in planning and de-risking an equitable energy transition, with BEM-backed "virtual buildings" critical path for diverse applications that include workforce training tools, Hardware-in-the-Loop (HIL) experimentation to study equipment performance under a range of conditions, Control-Hardware-in-the-Loop (CHIL) experimentation to de-risk commercial control implementations at equipment through grid orchestration levels, and integration of dynamic load profiles into grid modeling tools for energy system experimentation at the urban scale. Modeling requirements vary across these applications, but many software engineering tasks do not. The Alfalfa Virtual Building Service (AVBS, see https://github.com/NREL/alfalfa/wiki) is an open-source web service that solves these common tasks robustly in one place, providing a foundational platform for power users to bootstrap their own applications. AVBS abstracts the specifics of runtime interaction with OpenStudio, Modelica, and Spawn of EnergyPlus models behind a unified REST API. Additionally, AVBS provides resources for cloud deployment and scaling to 100s of parallel simulations, a growing library of modular Operational Technology (OT) integrations for emulation of real-world interfaces, and scripts to automate the population of communities of virtual buildings from URBANopt, ResStock and ComStock.

building automation↗
DOE OSTI2020

Impact of moderate pump–Stokes chirp on femtosecond coherent anti-Stokes Raman scattering spectra

The effects of inducing moderate chirp in the pump and Stokes beams in chirped-probe-pulse femtosecond coherent anti-Stokes Raman scattering (CARS) spectroscopy are discussed. This is an important issue for measurements in high-pressure systems where the CARS beams must be transmitted through glass of significant thickness to reach the probe volume of interest. The effects were investigated both experimentally, by inserting disks of SF-11 glass into the pump and Stokes beam paths, and theoretically, by incorporating pulse chirp into our time-dependent density matrix (TDDM) simulations. Experimentally, we found that inducing moderate pump and Stokes chirp produced significant spectral narrowing of the nonresonant four-wave mixing contribution to the CARS signal, and this allowed us to control the resonant excitation bandwidth to eliminate interferences from neighboring species. The temperature measurement accuracy and precision were essentially unchanged with respect to the unchirped pump and Stokes case. The effect of moderate pump and Stokes chirp on the narrowing of the Raman excitation efficiency envelope was investigated by solving the full set of TDDM through direct numerical integration. The numerical efficiency of the solutions was enhanced dramatically by developing a parallel version of the TDDM code. The calculated Raman excitation efficiency profile was incorporated in our phenomenological spectral fitting codes.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Modeling Needs to Support the Reconstruction Strategy of Ukraine

Ukraine has been facing difficult times. Russia started a full-scale invasion on February 24, 2022, and has caused huge human and infrastructure losses. As a result of the invasion, more than 8 million people left their homes. The Russian army has targeted Ukrainian energy sources, destroying or damaging over 50% of thermal power generation capacity (coal and gas), 30% of solar generation, and 90% of wind generation. The Russians are also threatening Ukrainian energy security, as they currently control the Zaporizhzhia nuclear power plant – Europe’s largest. In addition, Russia has destroyed 121,000 buildings, including 5,300 multistory buildings - more buildings than Ukraine built during the past five years. The occupiers destroyed or damaged 343 district heat boiler stations (destroyed 12 / damaged 331) and 8 CHPs (destroyed 4/ damaged 4). There is no doubt that Ukraine will be able to protect its sovereignty and restore its territorial integrity; however, this will be a long process. The Government of Ukraine needs to simultaneously focus on many issues, from waging war to the restoration of electricity, water, and heat supply in the territories close to the front line. In addition to these time-sensitive issues, the government also needs to plan a long term multi-sector strategy for the reconstruction of Ukraine’s economy. Ukraine initiated a broad-based political process for recovery at the International Ukraine Recovery Conference (URC 2022) in Lugano, Switzerland. Prior to URC 2022, Ukraine applied for EU membership on February 28 and was granted the status of candidate country by the European Council on June 23, 2022. More than 40 nations are fully committed to supporting Ukraine throughout its path from early to long-term recovery. In addition, these countries link a successful recovery to Ukraine’s European future (URC, 2022a). The reconstruction process will be long. The government also recognizes that it is not enough to build energy infrastructure back – it should be built back better. The government is committed to building a more sustainable and cleaner energy sector. Energy modeling can provide important insights into paths to decarbonize Ukraine’s economy while rebuilding it after the war. Pacific Northwest National Laboratory (PNNL) and the Institute for Economics and Forecasting of the National Academy of Sciences of Ukraine (IEF) work on modeling decarbonization scenarios in the energy sector of Ukraine. The teams focus on the heat sector, which includes district heat, autonomous and individual heating, and energy consumption by final energy consumption sectors, including buildings. Since the teams use world-class integrated assessment models, other sectors will be analyzed as well. The purpose of the document is to describe the needs of key Ukrainian ministries in modeling the reconstruction process. The scope of this document is limited to modeling energy consumption by the power and heat sectors, final energy consumption by buildings, and GHG emissions from these two sectors. The rest of this policy memo is organized as follows. After this introduction, Chapter 2 discusses key provisions of the reconstruction strategy with a focus on energy, buildings, heat supply, environment, and European integration aspirations. Section 3 provides an overview of recent developments and key decisions of the Government of Ukraine in the area of energy efficiency and decarbonization. Finally, Section 4 provides key suggestions on how PNNL and IEF can help the Government of Ukraine in developing strategic documents.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2022

Charge sharing in pixelated semiconductor sensors

The charge sharing between neighboring pixels in pixelated sensors can be used to measure particle or x-ray coordinates with accuracy better than the pixel pitch. The accurate model of the charge distribution shape is essential to achieve ultimate coordinate accuracy. The charge sharing is caused by charge carriers' diffusion on the path from the generation point to pixels. This paper is focused on the diffusion of the initially compact charge cloud in the field free region. The diffusion equation solutions are obtained using separation of variable and Fourier synthesis method for different initial conditions and resulting charge distributions are integrated over pixel areas. In conclusion, the look up table containing pre-calculated values for pixel charge fractions is proposed to speed up numerical calculations.

47 OTHER INSTRUMENTATION↗
DOE OSTI2026

Advancing density functional tight-binding method for large organic molecules through equivariant neural networks

Semi-empirical quantum-mechanical (QM) methods have become valuable tools for studying complex (bio)molecular systems due to their balance between computational efficiency and accuracy. A key aspect of these methods is their parameterization, which not only governs the reliability of the results but also provides an opportunity to enhance their overall performance. In our previous work [J. Phys. Chem. Lett., 2021, 11, 16], we advanced the third-order semi-empirical density functional tight-binding (DFTB3) method for computing multiple properties of small molecules by developing the machine learning (ML) potential NN rep to bridge the gap between DFTB3 electronic components and those of the hybrid DFT-PBE0 functional. To overcome the limitations of NN rep , we introduce the EquiDTB framework, which leverages physics-inspired equivariant neural networks (NN) to parameterize scalable and transferable many-body Δ TB potentials, replacing the standard pairwise DFTB repulsive potential. This advancement extends the applicability of our ML-corrected DFTB approach to larger molecules and non-covalent systems (including only C, N, O, and H atoms), going beyond the chemical space represented in the training QM datasets. The enhanced performance of EquiDTB over the standard TB methods is demonstrated by the accurate computation of the atomic forces of S66x8 molecular dimers, as well as their interaction energies. Moreover, EquiDTB can be effectively employed to explore the potential energy surfaces of large and flexible drug-like molecules—for example, to determine the minimum energy path between isomers, analyze structural transitions during dynamical simulations, compute vibrational modes, and investigate energetic rankings. The performance for single molecules slightly decreases when the DFTB electronic energy is reduced to first-order but remains superior to standard TB methods. Our work thus demonstrates that an optimal integration of an equivariant NN with QM datasets can advance the DFTB method while maintaining high efficiency, paving the way for reliable (bio)molecular simulations.

Medrano Sandonas, Leonardo [Technische Universität↗
DOE OSTI2020

Powering the Blue Economy - Ocean Observing Use Cases Report

The "Powering the Blue Economy" (PBE) Report identified ocean observing and autonomous underwater vehicle (AUV) recharge as near-term markets with significant potential for marine energy integration when specified qualitative and quantitative assessment criteria were used. The ocean observing market (including AUVs) scored high relative to other markets analyzed in the PBE Report with respect to market size, marine renewable energy (MRE) compatibility with functional requirements, competitive positioning (i.e., MRE versus other power sources), path to market, and alignment to the Department of Energy Water Power Technologies Office (WPTO) and other agencies' objectives. Based on this scoring, Pacific Northwest National Laboratory (PNNL) and the National Renewable Energy Laboratory (NREL) pursued the development of five use cases that represent a spectrum of ocean observation platforms, fixed and mobile, to explore the present and future power needs that might be satisfied by marine energy. The use cases were described and analyzed for this potential by examining current missions and future needs, evaluating the mix of renewable energy sources that might satisfy those needs at sea, and understanding the overall cost drivers that might enable this application.

14 SOLAR ENERGY↗