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DOE OSTI2024

Dose Measurement on Microfocus Computed Tomography Scanner

This Standard Operating Procedure (SOP) outlines the steps for measuring dose in x-ray computed tomography (CT) scans [1] on the MicroCT (MCT) system at the High Explosives Application Facility (HEAF) and other systems relevant to the Livermore Explosives Detection Program (LEDP). These systems include: the DHS LLNL MCT in HEAF, aka HEAFCAT, DHS LLNL MCT Testbed (TB) in B327, and the MCTs at TRMG, HEX2, HMEX, CBX, and IPMO, as described in Section 4.

42 ENGINEERING↗

DOE OSTI2024

Modification of CO2/H2O Selectivity of Polymer Through Graphene Coating for Carbon Capture Materials

A harmful issue that needs attention and solution is the rising carbon dioxide (CO2) in our atmosphere. Carbon dioxide in our atmosphere is at an all time high and has continuously increased since the industrial revolution. It has increased tremendously going from 315 parts per million (ppm) in the 1960s up to 419.3 ppm in 2023 as shown in Figure 1. Moreover, CO2 emissions have increased from 11 billion tons/year in the 1960s to 38.6 billion tons/year in 2023. The increase in CO2 found in our atmosphere has a number of detrimental effects such as increase in global temperatures and an increase in the ocean’s acidity. Human activities are greatly involved in the cause of CO2 emissions. At Lawrence Livermore National Lab (LLNL) the Microencapsulated CO2 sorbents (MECS) division has been doing research and investigating formulations for their microcapsules. MECS are core-shell microcapsules consisted of a highly permeable polymer shell and a fluid (sodium carbonate solution) that reacts and absorbs carbon dioxide. An example of the microcapsules are shown in Figure 2. Equation 1 shows the chemical reaction of the fluid (sodium carbonate) contained in the polymer shell that acts as the carbon dioxide sorbent and becomes sodium bicarbonate. The LLNL MECS team is in the process of scaling up their microcapsules for potential applications in “carbon capture from flue gas streams generated by fossil fuel combustion in industrial plants and operations, carbon capture in breweries and soft drink manufacture, carbon capture directly from indoor air to improve its quality”. The microcapsule’s possibility for commercial applications was discovered in 2017.

36 MATERIALS SCIENCE↗

DOE OSTI2024

Radioactive Waste Management Basis (Rev.6)

This Radioactive Waste Management Basis (RWMB) documents radioactive waste management practices adopted at Lawrence Livermore National Laboratory (LLNL) pursuant to Department of Energy Order (DOE O) 435.1, Radioactive Waste Management. The purpose of this RWMB is to ensure that LLNL manages radioactive waste in a safe and environmentally-compliant manner, protective of worker and public safety.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2024

FY2024 Q4 L2 Milestone 8237 for Opacity-on-NIF

This document addresses parts 2 and 3 of the original milestone request. In the following writeup, the development of OpSpecTR at LLNL by LLNL and NNSS personnel will be detailed first, followed by a write-up of the development of Vme-resolved simulaVons of the opacity-on-NIF experiment. Capsule backlight simulaVons, hohlraum simulaVons, and sample simulaVons from CASSIO are combined to produce the line of sight from the capsule to an effecVve OpSpec posiVon. Spectra are generated by post-processing these simulaVons from either Spect3D, a commercial software by Prism ComputaVonal Sciences, or FESTR (Finite Element Spectroscopic Transport of RadiaVon), a LANL code. While the simulaVons do not at this stage proceed late enough to include the worst of the backgrounds generated from the hohlraum experimentally and each post-processing simulaVon includes only one ray for each spectrometer channel, these efforts represent proof of concept for a new capability to complete Vme-resolved and Vmegated simulaVons for the complete line of sight of the complex opacity-on-NIF geometry. Future work will be discussed at the end of the report for both efforts.

42 ENGINEERING↗

DOE OSTI2024

Atmospheric Boundary Layer-Wind Farm Interactions Field Campaign Report

The American WAKE ExperimeNt (AWAKEN) was a field campaign in northern Oklahoma intended to analyze the potential influence of wind farms and their collective wakes on the atmospheric boundary layer (ABL), wind power production, and turbine structural loads. This report summarizes the deployment of instruments by the University of Oklahoma (OU), National Atmospheric and Atmospheric Administration National Severe Storms Laboratory (NOAA NSSL), and Lawrence Livermore National Laboratory (LLNL) during AWAKEN. Two Collaborative Lower Atmosphere Profiling Systems (CLAMPS) and LLNL ZephIR profiling lidars were co-deployed from October 3, 2022, to December 20, 2022 (winter campaign). At the end of the winter campaign, both ZephIR lidars were moved to different AWAKEN sites to be a part of a targeted wake study at the King Plains wind farm. The two CLAMPS were redeployed for a second observation period from July 1st, 2023, to September 28, 2023 (summer campaign; the ZephIR lidars were not co-located with CLAMPS).

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2025

Developing Partnership between San Jose State University and DOE Lawrence Livermore National Laboratory to Enhance Climate Research Equity and Inclusion

One of the key objectives of this project was to develop partnership between San Jose State University (SJSU) and the Lawrence Livermore National Laboratory (LLNL), a US Department of Energy (DOE) funded national laboratory. Both institutions are closely located within the San Francisco Bay Area in California and their researchers share overlapping research interests and expertise related to Earth system sciences. By leveraging their connections with LLNL, faculty and students from SJSU gained exposure to state-of-the-art observations and simulations related to Earth system sciences, including but not limited to the usage of the facility data provided by the DOE Atmospheric Radiation Measurement (ARM) program and data analysis techniques for interpreting and analyzing the DOE Energy Exascale Earth System Model (E3SM) simulations.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2026

Adapting High-Resolution X-Ray Microcalorimeter Spectrometers to Transform MFE Plasma Diagnostics

The aim of this project was to begin the transformation of magnetic fusion energy (MFE) X-ray diagnostics by applying detector technology developed over the past several decades by the astrophysics community. We installed and operated an X-ray microcalorimeter detector system under fusion-relevant plasma conditions at the Madison Symmetric Torus (MST). X-ray microcalorimeter spectrometers combine the best characteristics of instrumentation currently available on fusion devices: the high spectral resolution of crystal spectrometers (2 eV) and broadband coverage provided by pulse-height analysis systems. These spectrometers have small port-access requirements, a key advantage for future MFE experiments. This new plasma diagnostic technique will satisfy the need for multispecies impurity ion data by providing absolute measurements of impurity core accumulation, and it will provide the core impurity ion temperature. This project was a joint effort between Lawrence Livermore National Laboratory (LLNL) and researchers at the Wisconsin Plasma Physics Laboratory (WiPPl) at the University of Wisconsin–Madison (UW–Madison). Megan E. Eckart is the principal investigator at LLNL, which is funded separately from UW–Madison. This final report fulfills the reporting obligation of the UW–Madison effort.

Den Hartog, Daniel J. [Department of Physics, Univ↗

DOE OSTI2019

Nitrogen Cycle Dynamics Revealed Through δ 18 O-NO 3 - Analysis in California Groundwater

Nitrate is a significant water-quality issue in California, the United States as a whole, and the world. Critical to addressing nitrate contamination is understanding the presence and extent of denitrification, and further refining the techniques used to identify nitrate sources. The use and understanding of nitrate isotopic signatures to identify nitrate sources have advanced tremendously; however, knowledge gaps remain concerning specific fractionation pathways and the role of denitrification in altering source values. Using a large unique database of California groundwater nitrate isotopic compositions, we explored the utility of nitrate–oxygen isotope ratios in determining specific nitrate origins. Lawrence Livermore National Lab (LLNL) samples were supplemented by United States Geological Society (USGS) data to create a dataset of over 1200 dual-isotope results. Methods used at LLNL allowed for the determination of δ 15 N-NO 3 -, δ 18 O-NO 3 -, δ 18 O-H 2 O, δ 2 H-H 2 O, excess air, major dissolved gases, and excess N 2 . Results were examined for the degree to which δ 18 O-NO 3 - conforms to the model of nitrification in which two atoms of oxygen are sourced from ambient water and one from the atmosphere. Almost 80% of the results fall within one standard deviation of predicted values. However, 19% of samples had significantly higher values, suggesting the preservation of a synthetic nitrate source signature, mixing of sources, or widespread denitrification. Results were examined with respect to general land-use classifications and, while nitrate concentrations followed the expected pattern of being higher in agricultural settings, δ 18 O-NO 3 -patterns are complicated by application of N-fertilizer in various forms, and subsequent N cycling in the soil zone. We found that the current understanding of oxygen isotope-fractionation mechanisms cannot yet explain the prevalence of oxygen-isotope compositions with higher than predicted δ 18 O values, but when paired with related data such as land use and indicators of denitrification, oxygen-isotope compositions of nitrate can help to assess nitrogen cycle dynamics.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2021

Nonperturbative phi4 potentials: Phase transitions and light horizons

Data underlying figures in paper "Nonperturbative phi4 potentials: Phase transitions and light horizons". The data are generated by, and can be plotted with, python programs in https://github.com/seanYuanSHI/Phi4 This work was performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344 and was supported by the Lawrence Fellowship through LLNL-LDRD Program under Project No. 19-ERD-038. This data set is released under LLNL-MI-823772.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

NASA NTRS1991

X ray imaging microscope for cancer research

The NASA technology employed during the Stanford MSFC LLNL Rocket X Ray Spectroheliograph flight established that doubly reflecting, normal incidence multilayer optics can be designed, fabricated, and used for high resolution x ray imaging of the Sun. Technology developed as part of the MSFC X Ray Microscope program, showed that high quality, high resolution multilayer x ray imaging microscopes are feasible. Using technology developed at Stanford University and at the DOE Lawrence Livermore National Laboratory (LLNL), Troy W. Barbee, Jr. has fabricated multilayer coatings with near theoretical reflectivities and perfect bandpass matching for a new rocket borne solar observatory, the Multi-Spectral Solar Telescope Array (MSSTA). Advanced Flow Polishing has provided multilayer mirror substrates with sub-angstrom (rms) smoothnesss for the astronomical x ray telescopes and x ray microscopes. The combination of these important technological advancements has paved the way for the development of a Water Window Imaging X Ray Microscope for cancer research.

Hoover, Richard B.↗

NASA NTRS1991

Future aircraft and potential effects on stratospheric ozone and climate

Initial studies with LLNL models of global atmospheric chemical, radiative, and transport processes have indicated that substantial decreases in stratospheric ozone concentrations could result from emissions of NO(x) from aircraft flying in the stratosphere, depending on fleet size and magnitude of the engine emissions. These studies used homogeneous chemical reaction rates (e.g., gas-phase chemistry). Recent evidence indicates that reactions on particles in the stratosphere may be important. Heterogeneous chemical reactions convert NO(x) (NO and NO2) molecules to HNO3. This decreases the odd oxygen loss from the NO(x) catalytic cycle and increases the odd oxygen loss from the Cl(x) catalytic cycle. By including these heterogeneous reactions in the LLNL model, the relative partitioning of odd oxygen loss between these two families changes, with the result that emissions of NO(x) from proposed aircraft fleets flying in the stratosphere now increase ozone. Having these heterogeneous processes present also increases ozone concentration in the troposphere relative to gas-phase only chemistry calculations for emissions of NO(x) from subsonic aircraft.

Kinnison, Douglas E.↗

NASA NTRS1992

Simulated meteorite impacts and volcanic explosions: Ejecta analyses and planetary implications

Past cratering studies have focused primarily on crater morphology. However, important questions remain about the nature of crater deposits. Phenomena that need to be studied include the distribution of shock effects in crater deposits and crater walls; the origin of mono- and polymict breccia; differences between local and distal ejecta; deformation induced by explosive volcanism; and the production of unshocked, high-speed ejecta that could form the lunar and martian meteorites found on the Earth. To study these phenomena, one must characterize ejecta and crater wall materials from impacts produced under controlled conditions. New efforts at LLNL simulate impacts and volcanism and study resultant deformation. All experiments use the two-stage light-gas gun facility at LLNL to accelerate projectiles to velocities of 0.2 to 4.3 km/s, including shock pressures of 0.9 to 50 GPa. We use granite targets and novel experimental geometries to unravel cratering processes in crystalline rocks. We have thus far conducted three types of simulations: soft recovery of ejecta, 'frozen crater' experiments, and an 'artificial volcano. Our ejecta recovery experiments produced a useful separation of impactites. Material originally below the projectile remained trapped there, embedded in the soft metal of the flyer plate. In contrast, material directly adjacent to the projectile was jetted away from the impact, producing an ejecta cone that was trapped in the foam recovery fixture. We find that a significant component of crater ejecta shows no signs of strong shock; this material comes from the near-surface 'interference zone' surrounding the impact site. This phenomenon explains the existence of unshocked meteorites on the Earth of lunar and martian origin. Impact of a large bolide on neighboring planets will produce high-speed, weakly shocked ejecta, which may be trapped by the Earth's gravitational field. 'Frozen crater' experiments show that the interference zone is highly localized; indeed, disaggregation does not extend beyond approx. 1.5 crater radii. A cone-shaped region extending downward from the impact site is completely disaggregated, including powdered rock that escaped into the projectile tube. Petrographic analysis of crater ejecta and wall material will be presented. Finally, study of ejecta from 0.9- and 1.3-GPa simulations of volcanic explosions reveal a complete lack of shock metamorphism. The ejecta shows no evidence of PDF's, amorphization, high-pressure phases, or mosaicism. Instead, all deformation was brittle, with fractures irregular (not planar) and most intergranular. The extent of fracturing was remarkable, with the entire sample reduced to fragments of gravel size and smaller.

Gratz, A. J.↗

NASA NTRS1992

Storage needs in future supercomputer environments

The Lawrence Livermore National Laboratory (LLNL) is a Department of Energy contractor, managed by the University of California since 1952. Major projects at the Laboratory include the Strategic Defense Initiative, nuclear weapon design, magnetic and laser fusion, laser isotope separation, and weather modeling. The Laboratory employs about 8,000 people. There are two major computer centers: The Livermore Computer Center and the National Energy Research Supercomputer Center. As we increase the computing capacity of LLNL systems and develop new applications, the need for archival capacity will increase. Rather than quantify that increase, I will discuss the hardware and software architectures that we will need to support advanced applications.

Coleman, Sam↗

NASA NTRS1993

Mirror fusion propulsion system - A performance comparison with alternate propulsion systems for the manned Mars mission

The performance characteristics of several propulsion technologies applied to piloted Mars missions are compared. The characteristics that are compared are Initial Mass in Low Earth Orbit (IMLEO), mission flexibility, and flight times. The propulsion systems being compared are both demonstrated and envisioned: Chemical (or Cryogenic), Nuclear Thermal Rocket (NTR) solid core, NTR gas core, Nuclear Electric Propulsion (NEP), and a mirror fusion space propulsion system. The proposed magnetic mirror fusion reactor, known as the Mirror Fusion Propulsion System (MFPS), is described. The description is an overview of a design study that was conducted to convert a mirror reactor experiment at Lawrence Livermore National Lab (LLNL) into a viable space propulsion system. Design principles geared towards minimizing mass and maximizing power available for thrust are identified and applied to the LLNL reactor design, resulting in the MFPS. The MFPS' design evolution, reactor and fuel choices, and system configuration are described. Results of the performance comparison shows that the MFPS minimizes flight time to 60 to 90 days for flights to Mars while allowing continuous return-home capability while at Mars. Total MFPS IMLEO including propellant and payloads is kept to about 1,000 metric tons.

Deveny, M.↗

NASA NTRS1993

Mirror fusion propulsion system: A performance comparison with alternate propulsion systems for the manned Mars Mission

Schulze, Norman R.↗

NASA NTRS2000

Invasion of the Giant X-Ray Bubbles

More bizarre news from the bizarre world of neutron stars: They got dozens of giant X-ray bubbles taller than the Empire State Building forming and popping every second. Yet finding evidence of this bubble blowing was no childish endeavor. It took a team of Berkeley scientists just about all they could muster: three days' worth of observational data and 1,200 hours of number-crunching on the slickest of supercomputers at the Lawrence Livermore National Laboratory (LLNL). Mind you, these are the same powerful computers used to model nuclear reactions and calculate Bill Gates' salary. Neutron stars are already known as the bad boys of the cosmic neighborhood. They are the core remains of exploded stars, with a mass greater than our sun condensed into a sphere no bigger than Manhattan, A teaspoon of its densely-packed surface matter, the analogy goes, would weigh three billion tons back on earth. Its 10 trillion gauss magnetic field could wipe your credit card clean at a distance half-way to the moon. Its intense gravity lures gas from nearby stars, spinning the neutron star to speeds of up to a thousand times a second. But giant X-ray bubbles dancing on the surface? That even freaked out the discoverers. "Early on, I tended to disbelieve what the calculations were telling me," said Richard Klein, who splits his time between Berkeley and LLNL. "The bubbles 'appeared' and I wasn't convinced they were real."

Wanjek, Christopher↗

NASA NTRS2011

A Model of Reduced Kinetics for Alkane Oxidation Using Constituents and Species for N-Heptane

The reduction of elementary or skeletal oxidation kinetics to a subgroup of tractable reactions for inclusion in turbulent combustion codes has been the subject of numerous studies. The skeletal mechanism is obtained from the elementary mechanism by removing from it reactions that are considered negligible for the intent of the specific study considered. As of now, there are many chemical reduction methodologies. A methodology for deriving a reduced kinetic mechanism for alkane oxidation is described and applied to n-heptane. The model is based on partitioning the species of the skeletal kinetic mechanism into lights, defined as those having a carbon number smaller than 3, and heavies, which are the complement of the species ensemble. For modeling purposes, the heavy species are mathematically decomposed into constituents, which are similar but not identical to groups in the group additivity theory. From analysis of the LLNL (Lawrence Livermore National Laboratory) skeletal mechanism in conjunction with CHEMKIN II, it is shown that a similarity variable can be formed such that the appropriately non-dimensionalized global constituent molar density exhibits a self-similar behavior over a very wide range of equivalence ratios, initial pressures and initial temperatures that is of interest for predicting n-heptane oxidation. Furthermore, the oxygen and water molar densities are shown to display a quasi-linear behavior with respect to the similarity variable. The light species ensemble is partitioned into quasi-steady and unsteady species. The reduced model is based on concepts consistent with those of Large Eddy Simulation (LES) in which functional forms are used to replace the small scales eliminated through filtering of the governing equations; in LES, these small scales are unimportant as far as the overwhelming part of dynamic energy is concerned. Here, the scales thought unimportant for recovering the thermodynamic energy are removed. The concept is tested by using tabular information from the LLNL skeletal mechanism in conjunction with CHEMKIN II utilized as surrogate ideal functions replacing the necessary functional forms. The test reveals that the similarity concept is indeed justified and that the combustion temperature is well predicted, but that the ignition time is over-predicted, a fact traced to neglecting a detailed description of the processes leading to the heavies chemical decomposition. To palliate this deficiency, functional modeling is incorporated into this conceptual reduction in addition to the modeling the evolution of the global constituent molar density, the enthalpy evolution of the heavies, the contribution to the reaction rate of the unsteady lights from other light species and from the heavies, the molar density evolution of oxygen and water, and the mole fractions of the quasisteady light species. The model is compact in that there are only nine species-related progress variables. Results are presented showing the performance of the model for predicting the temperature and species evolution. The model reproduces the ignition time over a wide range of equivalence ratios, initial pressure, and initial temperature.

Harstad, Kenneth G.↗

NASA NTRS2011

Composite Overwrapped Pressure Vessels (COPV): Flight Rationale for the Space Shuttle Program

Each Orbiter Vehicle (Space Shuttle Program) contains up to 24 Kevlar49/Epoxy Composite Overwrapped Pressure Vessels (COPV) for storage of pressurized gases. In the wake of the Columbia accident and the ensuing Return To Flight (RTF) activities, Orbiter engineers reexamined COPV flight certification. The original COPV design calculations were updated to include recently declassified Kevlar COPV test data from Lawrence Livermore National Laboratory (LLNL) and to incorporate changes in how the Space Shuttle was operated as opposed to orinigially envisioned. 2005 estimates for the probability of a catastrophic failure over the life of the program (from STS-1 through STS-107) were one-in-five. To address this unacceptable risk, the Orbiter Project Office (OPO) initiated a comprehensive investigation to understand and mitigate this risk. First, the team considered and eventually deemed unfeasible procuring and replacing all existing flight COPVs. OPO replaced the two vessels with the highest risk with existing flight spare units. Second, OPO instituted operational improvements in ground procedures to signficiantly reduce risk, without adversely affecting Shuttle capability. Third, OPO developed a comprehensive model to quantify the likelihood of occurrance. A fully-instrumented burst test (recording a lower burst pressure than expected) on a flight-certified vessel provided critical understanding of the behavior of Orbiter COPVs. A more accurate model was based on a newly-compiled comprehensive database of Kevlar data from LLNL and elsewhere. Considering hardware changes, operational improvements and reliability model refinements, the mean reliability was determined to be 0.998 for the remainder of the Shuttle Program (from 2007, for STS- 118 thru STS-135). Since limited hardware resources precluded full model validation through multiple tests, additional model confidence was sought through the first-ever Accelerated Stress Rupture Test (ASRT) of a flown flight article. A Bayesian statistical approach was developed to interpret possible test results. Since the lifetime observed in the ASRT exceeded initial estimates by one to two orders of magnitude, the Space Shuttle Program deemed there was significant conservatism in the model and accepted continued operation with existing flight hardware. Given the variability in tank-to-tank original prooftest response, a non-destructive evaluation (NDE) technique utilizing Raman Spectroscopy was developed to directly measure COPV residual stress state. Preliminary results showed that patterns of low fiber elastic strains over the outside vessel surface, together with measured permanent volume growth during proof, could be directly correlated to increased fiber stress ratios on the inside fibers adjacent to the liner, and thus reduced reliability.

Kezirian, Michael T.↗