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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 1,441 records · Page 80
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Recent evolutions in the LTDP CDF project

In the latest years, CNAF (the national center of the Italian Institute for Nuclear Physics INFN dedicated to Research and Development on Information and Communication Technologies) has been working on the Long Term Data Preservation (LTDP) project for the CDF experiment, active at Fermilab from 1990 to 2011. The main aims of the project are to protect the most relevant part of the CDF RUN-2 data collected between 2001 and 2011 and already stored on tape at CNAF (4 PB), as well as to ensure the availability and the access to the analysis facility to those data over time. Lately, the CDF database, hosting information about CDF datasets such as their structure, file locations and metadata, has been imported from Fermilab to CNAF. Also, the Sequential Access via Metadata (SAM) station data handling tool for CDF data management, that allows to manage data transfers and to retrieve information from the CDF database, has been properly installed and configured at CNAF. This was a fundamental step in the perspective of a complete decommissioning of CDF services on Fermilab side. An access system has been designed and tested to submit CDF analysis jobs, using CDF software distributed via CERN Virtual Machine File System (CVMFS) and requesting delivery of CDF files stored on CNAF tapes, as well as data present only on Fermilab storage archive. Moreover, the availability and the correctness of all CDF data stored on CNAF tapes has been verified. This paper describes all these recent evolutions in detail, presenting the future plans for the LTDP project at CNAF.

Fornari, Federico↗
DOE OSTI2021

The Princess Project: From Differential to Integral Experiments

Following the shutdown of the CEA Valduc experimental facilities, where, for more than 50 years, IRSN used to perform experiments related to criticality safety, IRSN initiated a new project named PRINCESS (PRoject for IRSN Neutron physics and Criticality Experimental data Supporting Safety). The objective is to continue collecting experimental data necessary for the IRSN missions in nuclear safety. For this purpose, collaborations with various national and international laboratories have been established. The PRINCESS project covers various nuclear physics fields from nuclear data to criticality-safety and reactor physics providing information to both differential and integral data improvements.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2015

A projection-free method for representing plane-wave DFT results in an atom-centered basis

Plane wave density functional theory (DFT) is a powerful tool for gaining accurate, atomic level insight into bulk and surface structures. Yet, the delocalized nature of the plane wave basis set hinders the application of many powerful post-computation analysis approaches, many of which rely on localized atom-centered basis sets. Traditionally, this gap has been bridged via projection-based techniques from a plane wave to atom-centered basis. We instead propose an alternative projection-free approach utilizing direct calculation of matrix elements of the converged plane wave DFT Hamiltonian in an atom-centered basis. This projection-free approach yields a number of compelling advantages, including strict orthonormality of the resulting bands without artificial band mixing and access to the Hamiltonian matrix elements, while faithfully preserving the underlying DFT band structure. The resulting atomic orbital representation of the Kohn-Sham wavefunction and Hamiltonian provides a gateway to a wide variety of analysis approaches. We demonstrate the utility of the approach for a diverse set of chemical systems and example analysis approaches.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2017

Projected Hartree-Fock theory as a polynomial of particle-hole excitations and its combination with variational coupled cluster theory

Projected Hartree-Fock theory provides an accurate description of many kinds of strong correlations but does not properly describe weakly correlated systems. Coupled cluster theory, in contrast, does the opposite. It therefore seems natural to combine the two so as to describe both strong and weak correlations with high accuracy in a relatively black-box manner. Combining the two approaches, however, is made more difficult by the fact that the two techniques are formulated very differently. In earlier work, we showed how to write spin-projected Hartree-Fock in a coupled-cluster-like language. Here in this work, we fill in the gaps in that earlier work. Further, we combine projected Hartree-Fock and coupled cluster theory in a variational formulation and show how the combination performs for the description of the Hubbard Hamiltonian and for several small molecular systems.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2019

Polynomial-product states: A symmetry-projection-based factorization of the full coupled cluster wavefunction in terms of polynomials of double excitations

Our goal is to remedy the failure of symmetry-adapted coupled-cluster theory in the presence of strong correlation. Previous work along these lines has taken us from a diagram-level analysis of the coupled-cluster equations to an understanding of the collective modes which can occur in various channels of the coupled-cluster equations to the exploration of non-exponential wavefunctions in efforts to combine coupled-cluster theory with symmetry projection. In this manuscript, we extend these efforts by introducing a new, polynomial product wavefunction ansatz that incorporates information from symmetry projection into standard coupled-cluster theory in a way that attempts to mitigate the effects of the lack of size extensivity and size consistency characteristic of symmetry-projected methods. Finally, we describe the new approach in detail within the context of our previous efforts, explore some illustrative calculations, and consider one route for reducing the computational cost of the new method.

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

Huzinaga projection embedding for efficient and accurate energies of systems with localized spin-densities

We demonstrate the accuracy and efficiency of the restricted open-shell and unrestricted formulation of the absolutely localized Huzinaga projection operator embedding method. Restricted open-shell and unrestricted Huzinaga projection embedding in the full system basis is formally exact to restricted open-shell and unrestricted Kohn–Sham density functional theory, respectively. By utilizing the absolutely localized basis, we significantly improve the efficiency of the method while maintaining high accuracy. Furthermore, the absolutely localized basis allows for high accuracy open-shell wave function methods to be embedded into a closed-shell density functional theory environment. The open-shell embedding method is shown to calculate electronic energies of a variety of systems to within 1 kcal/mol accuracy of the full system wave function result. For certain highly localized reactions, such as spin transition energies on transition metals, we find that very few atoms are necessary to include in the wave function region in order to achieve the desired accuracy. This extension further broadens the applicability of our absolutely localized Huzinaga level-shift projection operator method to include open-shell species. Here, we apply our method to several representative examples, such as spin splitting energies, catalysis on transition metals, and radical reactions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Symmetry-projected cluster mean-field theory applied to spin systems

We introduce S z spin-projection based on cluster mean-field theory and apply it to the ground state of strongly correlated spin systems. In cluster mean-fields, the ground state wavefunction is written as a factorized tensor product of optimized cluster states. In previous work, we have focused on unrestricted cluster mean-field, where each cluster is S z symmetry adapted. We here remove this restriction by introducing a generalized cluster mean-field (GcMF) theory, where each cluster is allowed to access all S z sectors, breaking S z symmetry. In addition, a projection scheme is used to restore global S z , which gives rise to the S z spin-projected generalized cluster mean-field (S z GcMF). Both of these extensions contribute to accounting for inter-cluster correlations. We benchmark these methods on the 1D, quasi-2D, and 2D J 1 – J 2 and XXZ Heisenberg models. Furthermore, our results indicate that the new methods (GcMF and S z GcMF) provide a qualitative and semi-quantitative description of the Heisenberg lattices in the regimes considered, suggesting them as useful references for further inter-cluster correlations, which are discussed in this work.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2017

Reconsidering barriers to wind power projects: community engagement, developer transparency and place

In 2016, we undertook a nationally representative wind power perceptions survey of individuals living within 8 km of over 600 projects in the United States, generating 1705 telephone, web, and mail responses. We sought information on a variety of topics, including procedural fairness and its relationship to project attitude, the foci of the present analysis. Here, we present a series of descriptive statistics and regression results, emphasizing those residents who were aware of their local project prior to construction. Sample weighting is employed to account for stratification and non-response. We find that a developer being open and transparent, a community being able to influence the outcome, and having a say in the planning process are all statistically significant predictors of a process perceived as being ‘fair,’ with an open and transparent developer having the largest effect. We also find developer transparency and ability to influence outcomes to have statistically significant relationships to a more positive attitude, with those findings holding when aesthetics, landscape, and wind turbine sound considerations are controlled for. The results indicate that jurisdictions might consider developing procedures, which ensure citizens are consulted and heard, and benchmarks or best practices for developer interaction with communities and citizens.

17 WIND ENERGY↗
DOE OSTI2017

Progress in the U.S./Japan PHENIX Project for the Technological Assessment of Plasma Facing Components for DEMO Reactors

The PHENIX Project is a 6-year U.S./Japan bilateral, multi-institutional collaboration program for the Technological Assessment of Plasma Facing Components for DEMO Reactors. The goal is to address the technical feasibility of helium-cooled divertor concepts using tungsten as the armor material in fusion power reactors. The project specifically attempts to (1) improve heat transfer modeling for helium-cooled divertor systems through experiments including steady-state and pulsed high-heat-load testing, (2) understand the thermomechanical properties of tungsten metals and alloys under divertor-relevant neutron irradiation conditions, and (3) determine the behavior of tritium in tungsten materials through high-flux plasma exposure experiments. The High Flux Isotope Reactor and the Plasma Arc Lamp facility at Oak Ridge National Laboratory, the Tritium Plasma Experiment facility at Idaho National Laboratory, and the helium loop at Georgia Institute of Technology are utilized for evaluation of the response to high heat loads and tritium interactions of irradiated and unirradiated materials and components. This paper provides an overview of the progress achieved during the first 3 years and discusses the plan for the remainder of the project.

Kato, Yutai↗
DOE OSTI2023

Alfvén eigenmode stability in a JET afterglow deuterium plasma and projections to deuterium–tritium plasmas

Abstract The performance of fusion devices relies strongly on the good confinement of energetic particles (EPs). Therefore, the investigation of EP transport by magnetohydrodynamic instabilities is one of the key aspects in the development of plasma scenarios. Alfvénic instabilities in particular can lead to significant losses of alpha particles that are essential for plasma self-heating. A so-called afterglow scheme has been developed to study the destabilization of Alfvén eigenmodes (AEs) by alpha particles and associated EP transport in the JET tokamak. In this work, the linear stability of AEs is discussed for the partial afterglow phase in a JET deuterium plasma discharge and for the full afterglow phase in a projected deuterium–tritium (DT) plasma. Thanks to recent upgrades in the tokamak transport code TRANSP, one can account for the contributions of different EP species to mode stability. Analysis of deuterium plasmas shows that AE growth rates are extremely sensitive to the energy and distribution of fast ions. An increase in fast ion energy can lead to more unstable AEs. In the afterglow phase of projected DT plasmas, it is EPs that mostly drive the AEs. However, the drive by alpha particles is comparable to that by beam ions and their contribution to the net growth rate might be hard to separate. According to the discussed projections, the destabilization of AEs might be ineffective because the background plasma damping significantly exceeds the EP drive. In this case, the development of an alternative plasma scenario that allows us to overcome such damping would be required in future experiments.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2017

Imprints of local lightcone \ projection effects on the galaxy bispectrum. Part II

General relativistic imprints on the galaxy bispectrum arise from observational (or projection) effects. The lightcone projection effects include local contributions from Doppler and gravitational potential terms, as well as lensing and other integrated contributions. We recently presented for the first time, the correction to the galaxy bispectrum from all local lightcone projection effects up to second order in perturbations. Here we provide the details underlying this correction, together with further results and illustrations. For moderately squeezed shapes, the correction to the Newtonian prediction is ∼ 30% on equality scales at z ∼ 1. We generalise our recent results to include the contribution, up to second order, of magnification bias (which affects some of the local terms) and evolution bias.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2017

Verification of Electromagnetic Physics Models for Parallel Computing Architectures in the GeantV Project

An intensive R&D and programming effort is required to accomplish new challenges posed by future experimental high-energy particle physics (HEP) programs. The GeantV project aims to narrow the gap between the performance of the existing HEP detector simulation software and the ideal performance achievable, exploiting latest advances in computing technology. The project has developed a particle detector simulation prototype capable of transporting in parallel particles in complex geometries exploiting instruction level microparallelism (SIMD and SIMT), task-level parallelism (multithreading) and high-level parallelism (MPI), leveraging both the multi-core and the many-core opportunities. We present preliminary verification results concerning the electromagnetic (EM) physics models developed for parallel computing architectures within the GeantV project. In order to exploit the potential of vectorization and accelerators and to make the physics model effectively parallelizable, advanced sampling techniques have been implemented and tested. In this paper we introduce a set of automated statistical tests in order to verify the vectorized models by checking their consistency with the corresponding Geant4 models and to validate them against experimental data.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2021

Augmented signal processing in Liquid Argon Time Projection Chambers with a deep neural network

The Liquid Argon Time Projection Chamber (LArTPC) is an advanced neutrino detector technology widely used in recent and upcoming accelerator neutrino experiments. It features a low energy threshold and high spatial resolution that allow for comprehensive reconstruction of event topologies. In current-generation LArTPCs, the recorded data consist of digitized waveforms on wires produced by induced signal on wires of drifting ionization electrons, which can also be viewed as two-dimensional (2D) (time versus wire) projection images of charged-particle trajectories. For such an imaging detector, one critical step is the signal processing that reconstructs the original charge projections from the recorded 2D images. For the first time, we introduce a deep neural network in LArTPC signal processing to improve the signal region of interest detection. By combining domain knowledge (e.g., matching information from multiple wire planes) and deep learning, this method shows significant improvements over traditional methods. This work details the method, software tools, and performance evaluated with realistic detector simulations.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2021

US wildfire potential: a historical view and future projection using high-resolution climate data

Abstract Recent wildfires in the western United States have led to substantial economic losses and social stresses. There is a great concern that the new climatic state may further increase the intensity, duration, and frequency of wildfires. To examine temporal and spatial features of historical wildfire trends and future changes, a common fire index, the Keetch–Byram Drought Index (KBDI), is calculated over the contiguous United States (CONUS) and Alaska. We introduce an efficient initialization method and calculate 36 years (1982–2017) of historical KBDI at 4 km using a high-quality observational dataset. KBDIs are also calculated at 12 km using regional climate models and extended into the mid- and late-21st century. Based on the observational data, annual mean (and 95th percentile) KBDI over forested regions in the southwestern and northwestern CONUS has risen since 1982 at a rate of 5.2 (4.0) and 2.9 (3.3) per year, respectively, indicating a persistent drying trend fostering fire activities; the number of days exceeding the top 5% historical KBDI has increased by 16 and 25 d in the 36 years. Multiple regional climate model simulations project increasing wildfire potential and longer fire seasons over broader areas based on the estimated KBDI for the mid- and late-21st century. By the end of the century, most of the CONUS would experience about 90–189 more days per year exceeding the historical local maximum KBDI; areas with high KBDI (>600), whose occurrence correlates with large burned area, are projected to broaden by nearly 60 times in the southern CONUS. While both temperature and precipitation contribute to future KBDI changes, warming is the main driver of more frequent, intense and wide-spread extreme wildfires indicated by high KBDIs in future projections.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

Characterizing and quantifying uncertainty in projections of climate change impacts on air quality

Climate change can aggravate air pollution, with important public health and environmental consequences. While major sources of uncertainty in climate change projections - greenhouse gas (GHG) emissions scenario, model response, and internal variability - have been investigated extensively, their propagation to estimates of air quality impacts has not been systematically assessed. Here, we compare these uncertainties using a coupled modeling framework that includes a human activity model, an Earth system model of intermediate complexity, and a global atmospheric chemistry model. Uncertainties in projections of U.S. air quality under 21st century climate change are quantified based on a climate-chemistry ensemble that includes multiple initializations, representations of climate sensitivity, and climate policy scenarios, under constant air pollution emissions. We find that climate-related uncertainties are comparable at mid-century, making it difficult to distinguish the impact of variations in GHG emissions on ozone and particulate matter pollution. While GHG emissions scenario eventually becomes the dominant uncertainty based on the scenarios considered, all sources of uncertainty are significant through the end of the century. The results provide insights into intrinsically different uncertainties in projections of air pollution impacts and the potential for large ensembles to better capture them.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2019

Projection of good quantum numbers for reaction fragments

In reactions the wave packets of the emerging products normally are not eigenstates of particle number operators or any other conserved quantities and their properties are entangled. I describe here a particle projection technique in parts of space, which eschews the need to evaluate Pfaffians in the case of overlap of generalized Slater determinants or Hartree-Fock-Bogoliubov type of vacua. The extension of these formulas for calculating either angular momentum or particle projected energy distributions of the reaction fragments are presented as well. The generalization to simultaneous particle and angular momentum projection of various reaction fragment observables is straightforward.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2021

Projected sensitivity of the LUX-ZEPLIN experiment to the two-neutrino and neutrinoless double $\beta$ decays of $^{134}$Xe

The projected sensitivity of the LUX-ZEPLIN (LZ) experiment to two-neutrino and neutrinoless double beta decay of 134 Xe is presented. LZ is a 10-tonne xenon time projection chamber optimized for the detection of dark matter particles, that is expected to start operating in 2021 at Sanford Underground Research Facility, USA. Its large mass of natural xenon provides an exceptional opportunity to search for the double beta decay of 134 Xe, for which xenon detectors enriched in 136 Xe are less effective. For the two-neutrino decay mode, LZ is predicted to exclude values of the half-life up to 1.7 x 10 24 years at 90% confidence level (CL), and has a three-sigma observation potential of 8.7 x 10 23 years, approaching the predictions of nuclear models. For the neutrinoless decay mode LZ, is projected to exclude values of the half-life up to 7.3 x 10 24 years at 90% CL.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2024

Assay-based background projection for the Majorana Demonstrator using Monte Carlo uncertainty propagation

The background index (BI) is an important quantity to project and calculate the half-life sensitivity of neutrinoless double-𝛽 decay (0⁢𝜈⁢𝛽⁢𝛽) experiments. An analysis framework is presented to calculate the BI using the specific activities, masses, and simulated efficiencies of an experiments components as distributions. This Bayesian framework includes a unified approach to combine specific activities from assay. Monte Carlo uncertainty propagation is used to build a BI distribution from the specific activity, mass, and efficiency distributions. This method is applied to the M AJORANA D EMONSTRATOR , which deployed arrays of high-purity Ge detectors enriched in 76 Ge to search for 0⁢𝜈⁢𝛽⁢𝛽. The original assay-based projection is requantified in the new framework, using the as-built geometry of the Demonstrator and additional assay information. While 47% higher than the original projection, the resulting BI of [8.95±0.36]×10 −4 cts/(keVkgyr) from the 232 Th and 238 U decay chains does not account for the higher-than-expected BI observed by the D EMONSTRATOR . Finally, this method enables us to demonstrate the statistical incompatibility between the D EMONSTRATOR 's observed background and the assay results.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗