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At least 1,675 records · Page 93
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Calculating the QED correction to the hadronic vacuum polarisation on the lattice

Isospin-breaking corrections to the hadron vacuum polarization component of the anomalous magnetic moment of the muon are needed to ensure the theoretical precision of $g_\mu -2$ is below the experimental precision. We describe the status of our work calculating, using lattice QCD, the QED correction to the light and strange connected hadronic vacuum polarization in a Dashen scheme. We report results using physical $N_f=2+1+1$ HISQ ensembles at three lattice spacings and three heavier-than-light valence quark masses.

Ray, Gaurav↗
DOE OSTI2022

System and method for error detection and correction in virtual reality and augmented reality environments

Embodiments of the present disclosure are related to training one or more of machine learning algorithms in a virtual reality environment for error detection and correction and/or for employing one or more trained machine learning models in an augmented reality environment to detect and/or correct user errors associated the performance of one or more tasks.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2013

New formulation of target mass corrections in deep-inelastic lepton-nucleon scattering

The description of deep-inelastic lepton-nucleon scattering at finite values of Q2 requires subleading corrections such as those arising from target mass corrections (TMCs) to be accounted for, particularly at large values of the parton momentum fraction x. The standard method of incorporating TMCs via Nachtmann moments of structure functions, constructed from local operators within the operator product expansion, is known to have practical difficulties reproducing the corresponding Cornwall-Norton moments of the structure functions without TMCs. We consider several potential resolutions of this paradox, and discuss consequences for the interpretation of parton distributions at finite values of Q2.

Brown, Matthew D.↗
DOE OSTI2017

Self-Absorption Corrections for Plutonium Measurements With the Tomographic Gamma Scanner - 17325

The Tomographic Gamma Scanner (TGS) is a Non-Destructive Assay (NDA) instrument that combines high-resolution gamma spectroscopy with low spatial resolution three-dimensional image reconstruction in order to reduce bias and improve precision for measurements of drummed waste. The TGS technique is especially suited to measure containers with non-uniform source distributions and low-to me-dium-density heterogeneous matrices, compared with traditional NDA methods. Canberra recently built, installed, and commissioned a TGS system, intended primarily for the measurement of plutonium (Pu) bearing waste, at a European nu-clear fuel reprocessing facility. Pu assays using the TGS technique present technical challenges distinct from those typically encountered in traditional LLW applications. Among these is the need to apply corrections for self-absorption effects that occur on scales smaller than the TGS spatial resolution, and can compromise the assay result if not included in the TGS imaging methodology. We present a brief review of the Self Absorption Correction (SAC) technique, and discuss the complications involved with its application to the TGS methodology with examples from our recent experience. This work continues a Canberra history of further developing and refining a technique to solve emerging problems, having commercialized the original methodology by partnering with the research institution that pioneered it. The TGS and the SAC methodologies were originally developed by Los Alamos National Laboratory (LANL) and John Fleissner respectively, and this work illustrates how Canberra has implemented an advancement of these techniques in a new TGS system. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2017

Implementing an Alternative Modeling Strategy for Closure of the Rainier Mesa Corrective Action Unit at the Nevada National Security Site - 17481

The strategy to close the Rainier Mesa/Shoshone Mountain (RMSM) Corrective Action Unit (CAU) of the Underground Test Area (UGTA) Project at the Nevada National Security Site (NNSS) is defined under a joint agreement between the State of Nevada, the U.S. Department of Energy (DOE) and the Department of Defense (DoD). That strategy required a corrective action investigation (CAI) to define the evolution of contaminated volumes of groundwater under uncertainty as a means to define a surface-projected contaminant boundary and serve as a basis for longer term monitoring. As the initial phase of the CAI was nearing completion in 2012, concerns were raised as to whether the original Federal Facility Agreement and Consent Order (FFACO) strategy was achievable. This was evident when the complexity of the system and the additional costs required to sufficiently characterize it were judged to be out of balance with the overall perceived risks (low) associated with this particular CAU. As a result, an Alternative Modeling Strategy (AMS) and New FFACO Strategy Decision Process for UGTA RM/SM CAU were approved in November 2013. The AMS removes the requirement for developing ensembles of 3D contaminant transport simulations and replaces it with a simpler one requiring the generation of multiple 1D streamline models. These are meant to encompass a range of alternative, yet plausible release and transport scenarios as a means to bound the overall lateral extent of contaminant transport. The new Decision Process is streamlined and progresses from the revised CAI stage, to an external peer review, and then, upon favorable evaluation, directly to a closure stage. Although the project has suffered some delays from implementation of the new strategy, the new process of achieving closure is expected to save several years in time and several million dollars over the original process while still protecting human health and the environment over the 1,000-year compliance period stipulated in the FFACO. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2015

Impact of lump characteristics on self-shielding corrections of active neutron interrogation on fissile material in waste - 15405

Non-destructive active neutron assay techniques such as active neutron coincidence counting, differential die away analysis or the californium shuffler method rely on the interrogation of fissile nuclear materials by an external neutron source. Whether it is a spontaneous fission or (α,n) neutron source, like {sup 252}Cf or AmLi; or a fusion neutron generator, all of these techniques rely on induced secondary fission events to provide prompt or delayed neutron signals that serve as the basis for the fissile material quantification. The accuracy of these fissile mass measurements is therefore dependent on the neutron interrogation efficiencies determined for calibration reference standards and whether the measured items are comparable to the calibration condition. In such favorable conditions, it is possible to establish a reliable empirical non-linear relationship between apparent (uncorrected) and real or true fissile mass. However, in waste measurements, this is unlikely to be the case; thus a calibration approach that takes account of the neutron self-shielding effect is required. By incorporating the Self-Shielding Factor (SSF) of the calibration reference standards, a linear mass calibration factor [s{sup -1}. {sup 239}Pu{sub eq} g{sup -1}] can be found; this calibration is accurate for waste in which the fissile material is 'infinitely dilute' i.e. the waste exhibits no self-shielding; this is assumed to be representative of dispersed material. The self-shielding correction and its systematic uncertainty are then left to be treated as part of the Total Measurement Uncertainty (TMU) evaluation associated with the assay result. The derivation of the TMU contribution associated with the self-shielding effect in nuclear waste is a complex problem for which a reliable evaluation has to be performed. This is usually based on assuming 'worst case scenarios' for the distribution of material that can arise in a particular waste stream. Such an approach is conservative, but often very penalizing, especially if one considers larger lumps (those containing grams of fissile material); for such lumps, the self-shielding correction becomes very significant, potentially altering the mass of {sup 239}Pu{sub eq} by over an order of magnitude. A worst case 'nuclear safety value' may not be the most appropriate choice for building a consignment best estimate or repository sentencing value for an item. In the present work the authors describe a numerical approach to study the variability of neutron self-shielding factors associated with distributions of a wide range of lump characteristics in terms of size, shape, chemical composition, density and isotopic composition. The described novel calculation tool is capable of accurately predicting the real impact of random distribution of lumps in a waste material, and allowed to show that given reasonable, defensible, assumptions on the composition of the lumps in waste stream, the systematic error component of the DDA TMU can be significantly reduced. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2016

Impact of Corrections to the Spallings Volume Calculation on Waste Isolation Pilot Plant Performance Assessment - 16135

The numerical code DRSPALL (from direct release spallings) is written to calculate the volume of Waste Isolation Pilot Plant solid waste subject to material failure and transport to the surface (i.e., spallings) as a result of a hypothetical future inadvertent drilling intrusion into the repository. An error in the implementation of the DRSPALL finite difference equations was discovered and documented in a software problem report in accordance with the quality assurance procedure for software requirements. This paper describes the corrections to DRSPALL and documents the impact of the new spallings data from the modified DRSPALL on previous performance assessment calculations. Updated performance assessments result in more simulations with spallings, which generally translates to an increase in spallings releases to the accessible environment. Total normalized radionuclide releases using the modified DRSPALL data were determined by forming the summation of releases across each potential release pathway, namely borehole cuttings and cavings releases, spallings releases, direct brine releases, and transport releases. Because spallings releases are not a major contributor to the total releases, the updated performance assessment calculations of overall mean complementary cumulative distribution functions for total releases are virtually unchanged. Therefore, the corrections to the spallings volume calculation did not impact Waste Isolation Pilot Plant performance assessment calculation results. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2019

Execution of an Alternative Modeling Strategy for Closure of the Rainier Mesa Corrective Action Unit at the Nevada National Security Site - 19099

The Underground Test Area (UGTA) Project of the U.S Department of Energy (DOE) is investigating radionuclide contaminant movements in groundwater derived from a decades-long period of underground nuclear testing at the Nevada National Security Site (NNSS) to support regulatory corrective action and closure requirements. The project is built around an integrated campaign of drilling and sampling, data interpretation, computer modeling, and broader monitoring activities conducted under a joint Federal Facilities Agreement and Consent Order (1996 as amended) (FFACO) between the State of Nevada, the DOE, and the U.S. Department of Defense. The FFACO strategy is applied to individual Corrective Action Units (CAUs) that roughly envelop disparate geographic testing areas at the NNSS. The Rainier Mesa/Shoshone Mountain (RMSM) CAU is a geologically and hydrologically complex system lying in a remote up-gradient section of the NNSS. It was the site of 67 underground tests conducted between 1957 and 1992, 61 at Rainier Mesa proper, and 6 at Shoshone Mountain, isolated to its south. The original strategy to close the RMSM CAU required a simulation-based investigation to define the evolution of contaminated volumes of groundwater (in 3D) under uncertainty as a means to define a surface-projected contaminant boundary and to serve as a basis for longer term monitoring activities. Early models developed under this strategy proved to be quite complex and difficult to calibrate. Additional costs required to better characterize the system were judged to be out of balance with the low risks associated with this particular CAU. As a result, an Alternative Modeling Strategy (AMS) was adopted. The AMS removes the requirement for developing ensembles of 3D simulations and replaces it with a simpler one requiring the generation of multiple 1D streamline models. These are meant to encompass a range of alternative, yet plausible release and transport scenarios as a means to bound the overall lateral extent of contaminant transport. This paper will review the modeling approach developed under the AMS and its application to the Rainier Mesa portion of the CAU. Preliminary model results made under different parametric assumptions and boundary condition scenarios will be presented. Additional refinements of the model and its further application will be discussed. (authors)

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

Subhourly Clipping Correction Model Comparison

This work will compare the Allen method and Walker method of accounting for subhourly inverter clipping power losses in hourly PV performance models. The Allen method uses a matrix lookup based on DNI clearness and clipping potential to assign a clipping correction loss at each simulation timestep. The Walker method models the PV DC power input to the inverter as a distribution over the hourly timestep and uses integration over the timestep to determine the amount of clipping that occurs within the timestep. Both these models have been recently implemented in the System Advisor Model's (SAM) open-source code, and will be applied to hourly SURFRAD datasets to analyze the subhourly clipping loss predicted by each model for different system designs and inverter loading conditions. Both models will be compared to "true" 1-minute SURFRAD data simulations to see their accuracy against more accurate 1-minute clipping correction loss predictions. This model comparisons will be investigated in more detail at the PVSC conference in Seattle, Washington June 2024.

ENERGY PLANNING, POLICY, AND ECONOMY,MATHEMATICS A↗
DOE OSTI2026

Universal Optimization and Tighter Fidelity Bounds for Approximate Quantum Error Correction

Approximate quantum error correction (AQEC) not only dictates the performance of discrete- and continuous-variable quantum error correction codes but also serves as a unifying framework across various physical disciplines. Identifying the optimal recovery channel to maximize the entanglement fidelity via standard semidefinite programming is computationally bottlenecked by the exponentially growing number of Kraus operators with system size, rendering large-scale optimization prohibitive. While analytical near-optimal maps exist, they typically work only when the Knill-Laflamme conditions are nearly satisfied. In this Letter, we establish an efficient framework by leveraging the duality between recovery and environment decoupling. This framework yields a tighter analytical lower bound on entanglement fidelity than the conventional limit set by the transpose channel. Furthermore, by exploiting the decayed weights of noise Kraus operators, we introduce a framework based on principal component analysis to reduce the dimension. In thermal loss channels where the weights decay exponentially, our approach achieves a 33-fold computational speedup while maintaining rigorous accuracy. Our approach enables high-precision optimization for AQEC codes that were previously intractable due to the curse of dimensionality.

Wu, Jing [Fermilab] (ORCID:0000000249460732)↗
DOE OSTI2024

Target mass corrections in lepton–nucleus DIS: Theory and applications to nuclear PDFs

Motivated by the wide range of kinematics covered by current and planned deep-inelastic scattering (DIS) facilities, we revisit the formalism, practical implementation, and numerical impact of target mass corrections (TMCs) for DIS on unpolarized nuclear targets. An important aspect is that we only use nuclear and later partonic degrees of freedom, carefully avoiding a picture of the nucleus in terms of nucleons. After establishing that formulae used for individual nucleon targets (p,n), derived in the Operator Product Expansion (OPE) formalism, are indeed applicable to nuclear targets, here we rewrite expressions for nuclear TMCs in terms of re-scaled (or averaged) kinematic variables. As a consequence, we find a representation for nuclear TMCs that is approximately independent of the nuclear target. We go on to construct a single-parameter fit for all nuclear targets that is in good numerical agreement with full computations of TMCs. We discuss in detail qualitative and quantitative differences between nuclear TMCs built in the OPE and the parton model formalisms, as well as give numerical predictions for current and future facilities.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2014

Electronic and thermoelectric properties of Ce{sub 3}Te{sub 4} and La{sub 3}Te{sub 4} computed with density functional theory with on-site Coulomb interaction correction

The electronic properties and Seebeck coefficients of Ce{sub 3}Te{sub 4} and La{sub 3}Te{sub 4} are computed using Density Functional Theory with on-site Coulomb interaction correction. We found that the Seebeck coefficients of Ce{sub 3}Te{sub 4} and La{sub 3}Te{sub 4} are almost equal at temperatures larger than the Curie temperature of Ce{sub 3}Te{sub 4}, and in good agreement with the measurements reported by May et al. [Phys. Rev. B 86, 035135 (2012)]. At temperatures below the Curie temperature, the Seebeck coefficient of Ce{sub 3}Te{sub 4} increases due to the ferromagnetic ordering, which leads the f-electron of Ce to contribute to the Seebeck coefficient in the relevant range of electron concentration.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Electronic structure of mononuclear Cu-based molecule from density-functional theory with self-interaction correction

In this paper, we investigate the electronic structure of a planar mononuclear Cu-based molecule [Cu(C 6 H 4 S 2 ) 2 ] z in two oxidation states ( z = –2, –1) using density-functional theory (DFT) with Fermi–Löwdin orbital (FLO) self-interaction correction (SIC). The dianionic Cu-based molecule was proposed to be a promising qubit candidate. Self-interaction error within approximate DFT functionals renders severe delocalization of electron and spin densities arising from 3 d orbitals. The FLO-SIC method relies on optimization of Fermi–Löwdin orbital descriptors (FODs) with which localized occupied orbitals are constructed to create SIC potentials. Starting with many initial sets of FODs, we employ a frozen-density loop algorithm within the FLO-SIC method to study the Cu-based molecule. We find that the electronic structure of the molecule remains unchanged despite somewhat different final FOD configurations. In the dianionic state (spin S = 1/2), FLO-SIC spin density originates from the Cu d and S p orbitals with an approximate ratio of 2:1, in quantitative agreement with multireference calculations, while in the case of SIC-free DFT, the orbital ratio is reversed. Overall, FLO-SIC lowers the energies of the occupied orbitals and, in particular, the 3 d orbitals unhybridized with the ligands significantly, which substantially increases the energy gap between the highest occupied molecular orbital (HOMO) and the lowest unoccupied molecular orbital (LUMO) compared to SIC-free DFT results. The FLO-SIC HOMO–LUMO gap of the dianionic state is larger than that of the monoanionic state, which is consistent with experiment. Our results suggest a positive outlook of the FLO-SIC method in the description of magnetic exchange coupling within 3 d -element-based systems.

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

Patterning Si at the 1 nm Length Scale with Aberration-Corrected Electron-Beam Lithography: Tuning of Plasmonic Properties by Design

Patterning of materials at single nanometer resolution allows engineering of quantum confinement effects, as these effects are significant at these length scales, and yields direct control over electro-optical properties. Silicon is by far the most important material in electronics, and the ability to fabricate Si-based devices of the smallest dimensions for novel device engineering is highly desirable. Here, the work presented here uses aberration-corrected electron-beam lithography combined with dry reactive ion etching to achieve both: patterning of 1-nm features and surface and volume plasmon engineering in Si. The nanofabrication technique employed here produces nanowires with a line edge roughness (LER) of 1 nm (3σ). In addition, this work demonstrates tuning of the Si volume plasmon energy by 1.2 eV from the bulk value, which is one order of magnitude higher than previous attempts of volume plasmon engineering using lithographic methods.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2014

Correction to “Hyperspectral Aerosol Optical Depths from TCAP Flights”

In the paper “Hyperspectral aerosol optical depths from TCAP flights” by Y. Shinozuka et al. (Journal of Geophysical Research: Atmospheres, 118, doi:10.1002/2013JD020596, 2013), Tables 1 and 2 were published with the column heads out of order. Tables 1 and 2 are published correctly here. The publisher regrets the error.

aerosol optical depths↗
DOE OSTI2024

Nanocompression of 20 nm Silver Nanoparticles: In situ Aberration‐Corrected TEM and Atomistic Simulations

Single‐crystalline nanoparticles play an increasingly important role in a wide variety of fields including pharmaceuticals, advanced materials, catalysts for fuel cells, energy materials, as well as environmental detection and monitoring. Yet, the deformation mechanisms of very small nanoparticles are still poorly understood, in particular the role played by single dislocations and their interaction with surfaces. Here, in this work, silver nanoparticles with particularly small dimensions (≈20 nanometers in diameter) are compressed in situ in an aberration‐corrected transmission electron microscopy (TEM) and molecular dynamics (MD) simulations. During compression, the emergence of both dislocations and nanotwins are observed. However, these defects prove to be unstable and disappear upon removal of the indenter. Atomistic simulations confirm the role played by image stresses associated with the nearby surfaces and the reduction in dislocation line length as it approaches the free surface, thereby supporting the experimental observations. These results provide justification for the frequent observation of the absence of dislocations in nanoparticles of a few nanometers in size during in situ experiments, even after significant deformation. This phenomenon contributes to the self‐healing of samples through dislocation ejection toward the surfaces.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Evaluating the mutagenicity of N-nitrosodimethylamine in 2D and 3D HepaRG cell cultures using error-corrected next generation sequencing

Human liver-derived metabolically competent HepaRG cells have been successfully employed in both two-dimensional (2D) and 3D spheroid formats for performing the comet assay and micronucleus (MN) assay. In the present study, we have investigated expanding the genotoxicity endpoints evaluated in HepaRG cells by detecting mutagenesis using two error-corrected next generation sequencing (ecNGS) technologies, Duplex Sequencing (DS) and High-Fidelity (HiFi) Sequencing. Both HepaRG 2D cells and 3D spheroids were exposed for 72 h to N-nitrosodimethylamine (NDMA), followed by an additional incubation for the fixation of induced mutations. NDMA-induced DNA damage, chromosomal damage, and mutagenesis were determined using the comet assay, MN assay, and ecNGS, respectively. The 72-h treatment with NDMA resulted in concentration-dependent increases in cytotoxicity, DNA damage, MN formation, and mutation frequency in both 2D and 3D cultures, with greater responses observed in the 3D spheroids compared to 2D cells. The mutational spectrum analysis showed that NDMA induced predominantly A:T → G:C transitions, along with a lower frequency of G:C → A:T transitions, and exhibited a different trinucleotide signature relative to the negative control. These results demonstrate that the HepaRG 2D cells and 3D spheroid models can be used for mutagenesis assessment using both DS and HiFi Sequencing, with the caveat that severe cytotoxic concentrations should be avoided when conducting DS. With further validation, the HepaRG 2D/3D system may become a powerful human-based metabolically competent platform for genotoxicity testing.

3D spheroids↗