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DOE OSTI2018

X-Ray Line Polarization of Ne-Like Mo Spectra from X-pinch Plasmas

In this study, linearly polarized spectral emission is induced by non-Maxwellian electrons with anisotropic velocity distributions through collisional processes with ions in plasmas. X-ray line polarization is a viable diagnostic tool for the study of these electrons, which has been tested in controlled settings, e.g., the electron beam ion trap, but due to strong depolarization effects, has been relatively unexplored in laboratory-produced high-energy-density plasmas. This paper explores the X-ray line polarization for the study of Ne-like molybdenum X-pinch plasmas. Previous polarization studies have focused mostly on K-shell spectral lines, whereas the current paper expands on these studies by investigating L-shell line polarization. The X-pinch is favorable due to its high-density plasma formation, high radiation yield, fixed hotspot location, and reliable electron beam production. L-shell X-ray line polarization and spectral emission of Mo X-pinches were investigated through dual α-quartz (2d=6.687 Å) crystal spectropolarimetry with axial and radial spatial resolution. In particular, line polarization is evaluated through a comparative analysis of relative line intensities observed over a range of Ne-like Mo transitions simultaneously recorded with two spectrometers with different sensitivity to polarization. An appreciable degree of X-ray line polarization (up to 15%) is observed in the Ne-like Mo plasmas and analyzed using depolarization effects. Lastly, these results are the first polarization measurements in high-Z pulsed power plasmas.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2014

Quality indexes based on water measurements for low and medium energy x-ray beams: A theoretical study with PENELOPE

Purpose : To study the use of quality indexes based on ratios of absorbed doses in water at two different depths to characterize x-ray beams of low and medium energies. Methods : A total of 55 x-ray beam spectra were generated with the codes XCOMP5R and SPEKCALC and used as input of a series of Monte Carlo simulations performed with PENELOPE, in which the percentage depth doses in water and thek{sub Q,Q{sub 0}} factors, defined in the TRS-398 protocol, were determined for each beam. Some of these calculations were performed by simulating the ionization chamber PTW 30010. Results : The authors found that the relation betweenk{sub Q,Q{sub 0}} and the ratios of absorbed doses at two depths is almost linear. A set of ratios statistically compatible with that showing the best fit has been determined. Conclusions : The results of this study point out which of these ratios of absorbed doses in water could be used to better characterize x-ray beams of low and medium energies.

62 RADIOLOGY AND NUCLEAR MEDICINE↗

DOE OSTI2016

SU-F-T-427: Utilization and Evaluation of Diagnostic CT Imaging with MAR Technique for Radiation Therapy Treatment Planning

Purpose: The objective was to utilize and evaluate diagnostic CT-MAR technique for radiation therapy treatment planning. Methods: A Toshiba-diagnostic-CT acquisition with SEMAR(Single-energy-MAR)-algorism was performed to make the metal-artifact-reduction (MAR) for patient treatment planning. CT-imaging datasets with and without SEMAR were taken on a Catphan-phantom. Two sets of CT-numbers were calibrated with the relative electron densities (RED). A tissue characterization phantom with Gammex various simulating material rods was used to establish the relationship between known REDs and corresponding CT-numbers. A GE-CT-sim acquisition was taken on the Catphan for comparison. A patient with bilateral hip arthroplasty was scanned in the radiotherapy CT-sim and the diagnostic SEMAR-CT on a flat panel. The derived SEMAR images were used as a primary CT dataset to create contours for the target, critical-structures, and for planning. A deformable registration was performed with VelocityAI to track voxel changes between SEMAR and CT-sim images. The SEMAR-CT images with minimal artifacts and high quality of geometrical and spatial integrity were employed for a treatment plan. Treatment-plans were evaluated based on deformable registration of SEMAR-CT and CT-sim dataset with assigned CT-numbers in the metal artifact regions in Eclipse v11 TPS. Results: The RED and CT-number relationships were consistent for the datasets in CT-sim and CT’s with and without SEMAR. SEMAR datasets with high image quality were used for PTV and organ delineation in the treatment planning process. For dose distribution to the PTV through the DVH analysis, the plan using CT-sim with the assigned CT-number showed a good agreement to those on deformable CT-SEMAR. Conclusion: A diagnostic-CT with MAR-algorithm can be utilized for radiotherapy treatment planning with CT-number calibrated to the RED. Treatment planning comparison and DVH shows a good agreement in the PTV and critical organs between the plans on CT-sim with assigned CT-number and the deformable SEMAR CT datasets.

60 APPLIED LIFE SCIENCES↗

DOE OSTI2024

Parallel Simulation of Quantum Networks with Distributed Quantum State Management

Quantum network simulators offer the opportunity to cost-efficiently investigate potential avenues for building networks that scale with the number of users, communication distance, and application demands by simulating alternative hardware designs and control protocols. Several quantum network simulators have been recently developed with these goals in mind. As the size of the simulated networks increases, however, sequential execution becomes time-consuming. Parallel execution presents a suitable method for scalable simulations of large-scale quantum networks, but the unique attributes of quantum information create unexpected challenges. In this work, we identify requirements for parallel simulation of quantum networks and develop the first parallel discrete-event quantum network simulator by modifying the existing serial simulator SeQUeNCe. Our contributions include the design and development of a quantum state manager (QSM) that maintains shared quantum information distributed across multiple processes. We also optimize our parallel code by minimizing the overhead of the QSM and decreasing the amount of synchronization needed among processes. Using these techniques, we observe a speedup of 2 to 25 times when simulating a 1,024-node linear network topology using 2 to 128 processes. We also observe an efficiency greater than 0.5 for up to 32 processes in a linear network topology of the same size and with the same workload. We repeat this evaluation with a randomized workload on a caveman network. We also introduce several methods for partitioning networks by mapping them to different parallel simulation processes. We have released the parallel SeQUeNCe simulator as an open source tool alongside the existing sequential version.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2025

Investigation of the distribution of laser-induced damage precursors in etched grating sidewalls fabricated using inductively coupled plasma reactive-ion etching

Inductively coupled plasma reactive-ion etching for grating fabrication is explored with emphasis on the type and distribution of process-induced defects that can act as precursors to laser-induced damage initiation. To provide flexibility in the ability to perform a variety of material characterization methods, grating-like features with large pitch were fabricated in silica monolayers. The results indicate that the etch process introduces surface fluorine and subsurface carbon-containing contamination, which reduces the laser-induced damage threshold. The local relative concentrations of the laser-damage precursors introduced during the etch step of the manufacturing process were investigated using angle-resolved damage testing, taking advantage of the shift of the location of the peak electric-field intensity incident on the grating sidewall. The results suggest an increased level of etch-related defects near the base of the sidewall, with directly fluorinated silicon identified as the primary defect.

Dent, R. [Univ. of Rochester, NY (United States). ↗

DOE OSTI2024

Critical Minerals and Materials Matchmaker-CM3

This is the Critical Minerals and Materials Matchmaker (CM3) survey form. CM3 is an online information resource created to help connect users across the critical minerals and materials supply chain. The survey is designed to allow organizations to self-identify their critical minerals and materials-aligned activities and interests, and an interactive map that displays those on-going activities in a dynamic way. To include your critical minerals management activity or activities in CM3, please open and fill out the Critical Minerals and Materials Survey. If your organization has many ongoing or planned activities that would be onerous to enter in the form, or if your activities are difficult to geolocate (such as a transport network), please email the team at edxspatial@netl.doe.gov. This initiative is aligned with the approach of DOE’s H2 Matchmaker and Carbon Matchmaker. Read more information on H2 Matchmaker and Carbon Matchmaker. Below are some questions to help understand if you should fill out the CM3 survey: Does your company work with elements such as lithium, cobalt, copper, graphite, nickel, rare earth minerals, or platinum group metals? Does your organization have research and development activities related to critical materials or their supply chains? Does your company currently work in the critical minerals or materials supply chain? Do you have prospective work in critical minerals or materials in the next 5 years? Does your company mine, process, refine or distribute critical minerals or materials? Do you want to network with other facilities or organizations working in the same areas? Are you curious about the critical mineral and material activity in your surrounding area? Are you interested in aligning your potential needs across the supply chain to different geographic areas within the U.S? For more information, please see the CM3 website (https://www.energy.gov/fecm/articles/critical-minerals-materials-matchmaker-cm3) or email our team at edxspatial@netl.doe.gov.

CM3↗

DOE OSTI2012

Ion-Photon Quantum Interface: Entanglement Engineering

Distributed quantum information processing requires a reliable quantum memory and a faithful carrier of quantum information. Trapped ion qubits are the leading realization for quantum information storage, and photonic qubits are the natural choice for the transport of quantum information. The capability to entangle photons with trapped ions in a highly efficient (scalable) fashion is an important achievement. Here, we leverage the active and successful development of micro-fabricated semiconductor ion traps at the Sandia National Laboratory MESA facility, and integrate micro optical components. Compared to current efforts in academic settings combining macro-sized ion traps and optics, a micro device will result in the dramatically increased speed and fidelity of ion-trap based quantum networking protocols. Integrating smaller components will directly allow for a stronger quantum coherent interface between a single trapped ion and a single photon. If successful, this technology could lead to new demonstrations of fundamental physics properties and would open new avenues for scalable quantum networking architectures.

Moehring, David Lynn↗

DOE OSTI2012

Study of Generalized Parton Distributions and Deeply Virtual Compton Scattering on the nucleon with the CLAS and CLAS12 detectors at the Jefferson Laboratory

The exclusive leptoproduction of a real photon is considered to be the "cleanest" way to access the Generalized Parton Distribution (GPD). This process is called Deeply Virtual Compton Scattering (DVCS) lN {yields} lN{gamma} , and is sensitive to all the four GPDs. Measuring the DVCS cross section is one of the main goals of this thesis. In this thesis, we present the work performed to extract on a wide phase-space the DVCS cross-section from the JLab data at a beam energy of 6 GeV.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2013

Market Transformation Pathways for Grid-Connected Rooftop Solar PV in Minnesota

This report presents the market and policy findings of the Minnesota Solar Challenge program. The report draws on information collected from state agencies, local government units, solar industry participants, rooftop photovoltaic (PV) adopters (sometimes called customer-generators), state and national experts, the Commerce distributed generation stakeholder process, and the numerous reports and data sets referenced herein.

14 SOLAR ENERGY↗

DOE OSTI2013

Modeling of the interplay between single-file diffusion and conversion reaction in mesoporous systems

We analyze the spatiotemporal behavior of species concentrations in a diffusion-mediated conversion reaction which occurs at catalytic sites within linear pores of nanometer diameter. A strict single-file (no passing) constraint occurs in the diffusion within such narrow pores. Both transient and steady-state behavior is precisely characterized by kinetic Monte Carlo simulations of a spatially discrete lattice–gas model for this reaction–diffusion process considering various distributions of catalytic sites. Exact hierarchical master equations can also be developed for this model. Their analysis, after application of mean-field type truncation approximations, produces discrete reaction–diffusion type equations (mf-RDE). For slowly varying concentrations, we further develop coarse-grained continuum hydrodynamic reaction–diffusion equations (h-RDE) incorporating a precise treatment of single-file diffusion (SFD) in this multispecies system. Noting the shortcomings of mf-RDE and h-RDE, we then develop a generalized hydrodynamic (GH) formulation of appropriate gh-RDE which incorporates an unconventional description of chemical diffusion in mixed-component quasi-single-file systems based on a refined picture of tracer diffusion for finite-length pores. The gh-RDE elucidate the non-exponential decay of the steady-state reactant concentration into the pore and the non-mean-field scaling of the reactant penetration depth. Then an extended model of a catalytic conversion reaction within a functionalized nanoporous material is developed to assess the effect of varying the reaction product – pore interior interaction from attractive to repulsive. The analysis is performed utilizing the generalized hydrodynamic formulation of the reaction-diffusion equations which can reliably capture the complex interplay between reaction and restricted transport for both irreversible and reversible reactions.

36 MATERIALS SCIENCE↗

DOE OSTI2015

High Fidelity Simulations of Large-Scale Wireless Networks

The worldwide proliferation of wireless connected devices continues to accelerate. There are 10s of billions of wireless links across the planet with an additional explosion of new wireless usage anticipated as the Internet of Things develops. Wireless technologies do not only provide convenience for mobile applications, but are also extremely cost-effective to deploy. Thus, this trend towards wireless connectivity will only continue and Sandia must develop the necessary simulation technology to proactively analyze the associated emerging vulnerabilities. Wireless networks are marked by mobility and proximity-based connectivity. The de facto standard for exploratory studies of wireless networks is discrete event simulations (DES). However, the simulation of large-scale wireless networks is extremely difficult due to prohibitively large turnaround time. A path forward is to expedite simulations with parallel discrete event simulation (PDES) techniques. The mobility and distance-based connectivity associated with wireless simulations, however, typically doom PDES and fail to scale (e.g., OPNET and ns-3 simulators). We propose a PDES-based tool aimed at reducing the communication overhead between processors. The proposed solution will use light-weight processes to dynamically distribute computation workload while mitigating communication overhead associated with synchronizations. This work is vital to the analytics and validation capabilities of simulation and emulation at Sandia. We have years of experience in Sandia’s simulation and emulation projects (e.g., MINIMEGA and FIREWHEEL). Sandia’s current highly-regarded capabilities in large-scale emulations have focused on wired networks, where two assumptions prevent scalable wireless studies: (a) the connections between objects are mostly static and (b) the nodes have fixed locations.

Onunkwo, Uzoma↗

DOE OSTI2017

Supplemental Information for New York State Standardized Interconnection Requirements

This document is intended to aid in the understanding and application of the New York State Standardized Interconnection Requirements (SIR) and Application Process for New Distributed Generators 5 MW or Less Connected in Parallel with Utility Distribution Systems, and it aims to provide supplemental information and discussion on selected topics relevant to the SIR. This guide focuses on technical issues that have to date resulted in the majority of utility findings within the context of interconnecting photovoltaic (PV) inverters. This guide provides background on the overall issue and related mitigation measures for selected topics, including substation backfeeding, anti-islanding and considerations for monitoring and controlling distributed energy resources (DER).

24 POWER TRANSMISSION AND DISTRIBUTION↗

DOE OSTI2022

Chemical Thermodynamic Modeling of Molten Salts to Support Off-Gas Abatement Systems

The reprocessing of used nuclear fuel by any means will liberate gaseous fission products, such as hydrogen ( 3 H), carbon ( 14 C), noble gases ( 85 Kr), and halogens ( 129 I), from the irradiated fuel. These elements will distribute through chemical processing operations and partition into process off-gas streams, and the specific volatile release fractions will be dictated by the chemical and physical properties of the system. A recent assessment found that there were significant knowledge gaps regarding the release quantities of volatile radionuclides from individual unit operations. These knowledge gaps limited the ability to determine what dedicated off-gas treatment technologies could be required for electrochemical-based reprocessing facilities. Unfortunately, experimental efforts to quantify release fractions are limited by the challenges associated with performing experiments using irradiated fuel. This report documents preliminary thermodynamic predictions of iodine and tritium release from chloride-based molten salts as part of an effort to better direct resources toward those experiments (both simulant and irradiated) that will be of the greatest impact. It was predicted that less than 0.5% of tritium was expected to be released and that nearly all of that amount would be released as H 2 . Thermochemical data for hydrogen (H 2 ) are of high fidelity, and no additional validation is recommended. Less than 0.05% of iodine was predicted to be released, with the primary volatile species being Cs 2 I 2 . Unlike the tritium predictions, the data underpinning the iodine release predictions are of low quality. It is recommended that a limited experimental program be dedicated to expanding the current physical property and thermodynamic property data for iodine in electrochemical processing and molten salt conditions, including vapor pressure measurements for the dimerized species predicted to comprise the majority of iodine release. Validating and improving the thermodynamic properties used in predictive modeling can reduce the need for expensive testing with irradiated fuel.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2024

Wind Energy Instrumentation Development Roadmap

The current instrumentation for observing the complex flow fields in and around wind plants struggles to match the fidelity of existing simulation tools. As a result, these measurement limitations create a hurdle for validating and assessing the quality of the wind plant numerical models. This roadmap for instrumentation development recommendations was created to offer guidance on narrowing the gap between measurement and simulation fidelity. A process was established to identify where gaps in instrumentation exist for wind energy test campaigns by analyzing the capabilities of instrumentation for capturing the various important phenomena at the necessary resolution for both the science goal and validation objectives. To this end, a multi-disciplinary team of experts on instrumentation, wind energy, and atmospheric science was assembled to identify these significant instrumentation needs. A recommendation for instrumentation to be developed is provided, and the framework developed through this process is expected to be useful to the design of future test campaigns. The mapping tools developed for this process will be distributed as part of a future International Energy Agency Wind Technology Collaboration Program task on instrumentation development.

17 WIND ENERGY↗

DOE OSTI2025

Parallel Programming in MCNP6

Monte Carlo N-Particle (MCNP)1 is a general-purpose Monte Carlo particle transport code developed by Los Alamos National Laboratory (LANL). To efficiently handle long simulations, MCNP version 6 (MCNP6) supports parallel execution using two primary programming models: • Shared-memory task-based threading using OpenMP (Open Multi-Processing), and • Distributed-memory calculations using MPI (Message Passing Interface). The OpenMP and MPI programming models enable MCNP6 to scale from desktop systems to high-performance computing (HPC) clusters, allowing users to run MCNP in one of three parallel modes: • OpenMP-only, • MPI-only, and • Hybrid (MPI + OpenMP). The choice of parallelization mode depends on the underlying computer architecture and the characteristics of the simulation problem.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2026

QCD Theory and Transverse Momentum Dependent Physics

A major challenge for QCD theorists is to understand how to different categories of QCD physics contribute to a single observable. This is the goal of QCD factorization theory. Today, QCD physicists are tasked with describing increasingly detailed properties of transverse momentum dependent particle distributions, including their shapes and normalizations, their variation with energy and other kinematical variables, the identity of particles involved, correlations with spin, and the relationship between transverse momentum distributions in different processes. Embedded within that broad effort are specific fundamental questions at the heart of QCD theory. Namely, how does one give precise, quantitative meaning to quark and gluon concepts in hard scattering events, and what are the limits of those concepts? In the past two decades, there has been a renaissance in TMD QCD, with a broad spectrum of motivations driving the study of TMD observables. TMD QCD studies are in a transformative stage; subfields that traditionally progressed nearly independently of one other, such as hadronic structure studies and the study of perturbative QCD gluon radiation in high-energy collisions, are becoming intertwined. It is thus becoming increasingly clear that unified approaches -- those that incorporate all the relevant phenomena into a single formalism rooted in QCD fundamentals -- will be critical to the mission to expand the current understanding of QCD nuclear/hadronic dynamics. TMD QCD factorization theorems and their generalizations will be central to these efforts. The factorization theorems, in addition, provide the practical prescription for applying specific calculations to phenomenology. The goal of this project was to unify and push the boundaries of traditional TMD research and prepare it for use in future phenomenological applications.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2016

Alpha-constrained QSE nucleosynthesis in high-entropy and fast-expanding material

We investigate the nucleosynthesis process in high-entropy (s/k{sub B}≳100) and very fast expanding (τ{sub exp}∼10{sup −3} s) materials. In such a material with the electron fraction near 0.5, an interesting nucleosynthesis process occurs. In this process, the abundance distribution of heavy nuclei of A>100 achieves quasi-statistical equilibrium (QSE) at high temperature and the abundances are frozen at the end of the nucleosynthesis. We explain this abundance distribution using the “alpha-constrained QSE” abundances formulated in this paper. We demonstrate that this nucleosynthesis would occur in neutrino-driven winds from massive proto-neutron stars in hypernovae, where A∼140 p-nuclei are synthesized.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2025

A Numerical Model for the Dynamics of Pickup Ions Outside the Heliopause and IBEX “Ribbon” Observation

The leading mechanism for the origin of the Interstellar Boundary Explorer (IBEX) “ribbon” of enhanced energetic neutral atoms (ENAs) from the outer heliosphere is the so-called secondary ENA process. In this mechanism, neutralized ions escape the heliosphere, and after several times of charge exchange collision,s some propagate back toward Earth in directions nearly perpendicular to the local interstellar magnetic field. However, the physical processes governing the distribution of the pickup ions (PUIs) outside the heliopause are still unclear. In this study, we build a new global model of the IBEX ribbon, where a key component is to calculate the dynamics of the PUIs outside the heliopause by solving the gyrophase-averaged focused transport equations on top of the background magnetohydrodynamic-kinetic model for the heliosphere-interstellar medium interaction. We discuss how the properties of the simulated ribbon change with different scattering parameters and show simulation results of the ENA sky maps, ribbon centers, ribbon profiles at several azimuthal slices, the ribbon ENA source region, and the velocity distribution of PUIs in the ENA source region for different scattering frequencies. Our results show that the model can provide reasonable ribbon sky maps comparable to the observed ribbon when the PUI mean free path is on the order of several thousand astronomical units.

79 ASTRONOMY AND ASTROPHYSICS↗