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2019 LLNL Nuclear Science and Security Summer Internship Program

The Lawrence Livermore National Laboratory (LLNL) Nuclear Science and Security Summer Internship Program (NS 3 IP) is designed to give graduate students an opportunity to come to LLNL for 8-10 weeks of hands-on research. Students conduct research under the supervision of a staff scientist, attend a weekly lecture series, interact with other students, and present their work in poster format at the end of the program. Students also have the opportunity to meet staff scientists one-on-one, participate in LLNL facility tours (e.g., the National Ignition Facility and Center for Accelerator Mass Spectrometry), and gain a better understanding of the various science programs at LLNL.

07 ISOTOPE AND RADIATION SOURCES↗

Monthly Sewer Monitoring Report for LLNL Livermore Site, April 2020

Lawrence Livermore National Laboratory (LLNL) collects effluent samples from its sewer outfall at the B196 Sewer Monitoring Station (SMS). Effluent flow-proportional composite samples are collected at the SMS on a daily (midnight-to-midnight), weekly (Thursday through Wednesday), and “monthly” (composited from daily) basis; effluent grab samples are also collected each month at that same location. Certified contract laboratories analyzes these compliance samples, and results (Tables 1–3) are used to establish LLNL compliance with the 2019–2020 Wastewater Discharge Permit (Permit 1250) granted by the City of Livermore Water Resources Division (WRD). Supplemental analyses for biochemical oxygen demand (BOD) and total suspended solids (TSS) are performed onsite and reported (Table 4) for the calculation and assessment of sewer service charges. Quarterly, effluent is sampled for metals (24-hour composite) and cyanide (grab sample) concentrations (mg/L). The results are presented in Table 5. In addition to the sampling noted above, the SMS continuously monitors LLNL sewage effluent in real-time for flow rate, pH, metals, and radioactivity. Standard measurement methods are used to monitor flow and pH to determine permit compliance. Unique nonstandard analytical methods monitor for the presence of metals and radioactivity using x-ray fluorescence (XRF) and gamma spectroscopy, respectively. If an anomalous condition is detected by the monitoring system, an alarm activates LLNL’s Sewer Diversion Facility (SDF) and Livermore Water Reclamation Plant (LWRP) operators are notified that a potential release has occurred.

54 ENVIRONMENTAL SCIENCES↗

Picking an Open Source License at LLNL: Guidance and Recommendations from the Computing Directorate

Science and innovation are at the core of LLNL’s mission, and open source software is a vehicle by which LLNL innovations reach the scientific community, the nation, and the world. It also serves as a vehicle for building collaborations, publicizing our capabilities, and attracting new employees. Over half of the software produced by LLNL is open source, and open source licenses are the legal tools that allow our software to be used widely. Choosing an appropriate license can be difficult, but it can be even more difficult to change licenses after your software has amassed a significant number of contributors, so it is important understand the potentially subtle implications of your license choice. This document provides a set of recommendations for the busy and uninitiated. They are not set in stone (there are always exceptions). Our goal is to provide default choices that align best with LLNL’s mission, along with a high-level rationale.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

LLNL Response to the DOE ASCR RFI, "Stewardship of Software for Scientific and High-Performance Computing"

For decades, Lawrence Livermore National Laboratory (LLNL) has been engaged in significant research, development, and support for software to enable scientific computing and, particularly, the use of high performance computing (HPC) in the NNSA mission space. In particular, the move in the mid-1990’s to simulation as a leading component of stockpile stewardship through the ASCI and the successor ASC programs, as well as the need for reliable data acquisition and control software for the National Ignition Facility, have been important drivers in building expertise in production-quality software development at LLNL. LLNL has also been a leader in the DOE SciDAC FASTMath Institute and the DOE Exascale Computing Project (ECP), both of which have striven to make scientific computing software – in particular, the enabling technologies underpinning simulation capabilities – more widely adopted and sustainable. As such, we believe that our experience can inform the broader goal of software stewardship for scientific and high-performance computing. LLNL strongly supports the formation of a new DOE ASCR program element in software stewardship and sustainment. Historically, DOE ASCR has funded applied mathematics and computer science research that has led to the development of important new capabilities and algorithms that are expressed as artifacts in research software. Such frameworks, libraries, and tools have seldom been directly funded to address the important issues of code maintenance, documentation, robustness, and community building. Software engineering and support have typically been done on the side in support of the ASCR-driven research products. DOE funding priorities have been slow to recognize that good software engineering, the kind that ensures research investments have more adoption and longevity, requires significant resources. Based upon our experiences, we have prepared this response to highlight the concerns and issues we believe to be important as DOE ASCR considers its role in scientific software stewardship. We believe that role is important and will require a significant investment of new funding to legitimately support the technologies past and future DOE ASCR investments have and will produce to facilitate their uptake and adoption in the broader scientific computing community. Following a summary of our involvement in scientific software development, the remainder our response is organized around the nine topics specifically identified in the RFI.

97 MATHEMATICS AND COMPUTING↗

Which nuclear data can be validated with LLNL pulsed-sphere experiments?

It is shown here that 14-MeV D+T LLNL pulsed-sphere experiments bring complementary information into the process of validating nuclear data compared to experiments that are traditionally used for this purpose—such as critical assemblies. To be more specific, the 14-MeV D+T LLNL pulsed-sphere neutron-leakage spectra enable to validate scattering and fission nuclear data up to 15 MeV (compared to approximately up to 5 MeV when using criticality experiments) and employ to this end simple compound targets containing only few isotopes. In this work, sensitivity profiles of the spectra to nuclear data are calculated in order to understand in detail which isotopes, observables, and energy ranges of nuclear data contribute significantly to their simulation. These profiles are presented for a few selected spheres containing 16 O, 12 C, 56 Fe, and 239 Pu. It is shown that the neutron-leakage spectra of spheres containing light elements are mostly sensitive to elastic- and inelastic-scattering cross sections on discrete levels and corresponding angular distributions. Spheres of structural materials are sensitive to elastic- and inelastic-scattering cross sections, including scattering on discrete levels and the continuum, and double-differential cross sections. Actinide spheres are also strongly sensitive to the fission observables, in particular to the total-fission neutron spectrum. Thin spheres (in which neutrons experience on average less than one scatter) are mostly sensitive to data near the elastic peak, in the energy range from 12–15 MeV, while thicker ones can be sensitive to data at lower incident-neutron energies due to multiple-scattering effects. This information is brought together with simulations of 71 pulsed-sphere neutron-leakage spectra using the ENDF/B-VII.1 and ENDF/B-VIII.0 nuclear-data libraries. This analysis highlights ENDF/B-VIII.0 data that could be further investigated for potential shortcomings ( 6 Li, 12 C, 16 O, 24-26 Mg, 27 Al, 48 Ti, 56 Fe, and 208 Pb) or are likely reliable ( 1,2 H, 7 Li, 9 Be, 14 N, 235,238 U, and 239 Pu) as indicated by validating with LLNL pulsed-sphere experiments.

14-MeV D+T LLNL pulsed-sphere neutron-leakage spec↗

OPCW Twining Project Visit by the National Laboratory of Scientific and Technical Police (LNPST) to Lawrence Livermore National Laboratory Forensic Science Center (LLNL)

PURPOSE FOR TRIP Through the Organisation for Prohibition of Chemical Weapons (OPCW) Twinning and Assistance Program, Lawrence Livermore National Laboratory, Forensic Science Center (LLNL) has been paired with Morocco’s National Laboratory of Scientific and Technical Police (LNPST), with the goal of mentoring LNPST to become an OPCW Designated Laboratory. The purpose of this visit was for LLNL staff to mentor staff from LNPST as they participated in hands-on, laboratory-based exercises to analyze proficiency test samples prepared by LLNL. This visit was designed to help LNPST scientists strengthen their skills in OPCW proficiency testing.

45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEF↗

LLNL's Big Science Capabilities Help Spur Over $796 Billion in U.S. Economic Activity Sequencing the Human Genome

LLNL’s successful history of taking on big science projects spans beyond national security and has helped create billions of dollars per year in new economic activity. One example is LLNL’s role in helping sequence the human genome. Over $796 billion in new economic activity in over half a dozen fields has been documented since LLNL successfully completed this Grand Challenge.

59 BASIC BIOLOGICAL SCIENCES↗

Probabilistic Seismic Hazards Update for LLNL

Fugro Consultants, Inc. (FCL) completed the Probabilistic Seismic Hazard Analysis (PSHA) performed for Building 332 at the Lawrence Livermore National Laboratory (LLNL), near Livermore, CA. The study performed for the LLNL site includes a comprehensive review of recent information relevant to the LLNL regional tectonic setting and regional seismic sources in the vicinity of the site and development of seismic wave transmission characteristics. The Seismic Source Characterization (SSC), documented in Project Report No. 2259-PR-02 (FCL, 2015b), and Ground Motion Characterization (GMC), documented in Project Report No. 2259-PR-06 (FCL, 2015a) were developed in accordance with ANS/ANSI 2.29- 2008 Level 2 PSHA guidelines. The ANS/ANSI 2.29-2008 Level 2 PSHA framework is documented in Project Report No. 2259-PR-05 (FCL, 2016a). The Hazard Input Document (HID) for input into the PSHA developed from the SSC and GMC is presented in Project Report No. 2259-PR-04 (FCL, 2016b). The site characterization used as input for development of the idealized site profiles including epistemic uncertainty and aleatory variability is presented in Project Report No. 2259-PR-03 (FCL, 2015c). The PSHA results are documented in Project Report No. 2259-PR-07 (FCL, 2016c).

58 GEOSCIENCES↗

Strengthening LLNL Missions through Laboratory Directed Research and Development in High Performance Computing

High performance computing (HPC) has been a defining strength of Lawrence Livermore National Laboratory (LLNL) since its founding. Livermore scientists have designed and used some of the world’s most powerful computers to drive breakthroughs in nearly every mission area. Today, the Laboratory is recognized as a world leader in the application of HPC to complex science, technology, and engineering challenges. Most importantly, HPC has been integral to the National Nuclear Security Administration’s (NNSA’s) Stockpile Stewardship Program—designed to ensure the safety, security, and reliability of our nuclear deterrent without nuclear testing. A critical factor behind Lawrence Livermore’s preeminence in HPC is the ongoing investments made by the Laboratory Directed Research and Development (LDRD) Program in cutting-edge concepts to enable efficient utilization of these powerful machines. Congress established the LDRD Program in 1991 to maintain the technical vitality of the Department of Energy (DOE) national laboratories. Since then, LDRD has been, and continues to be, an essential tool for exploring anticipated needs that lie beyond the planning horizon of our programs and for attracting the next generation of talented visionaries. Through LDRD, Livermore researchers can examine future challenges, propose and explore innovative solutions, and deliver creative approaches to support our missions. The present scientific and technical strengths of the Laboratory are, in large part, a product of past LDRD investments in HPC. Here, we provide seven examples of LDRD projects from the past decade that have played a critical role in building LLNL’s HPC, computer science, mathematics, and data science research capabilities, and describe how they have impacted LLNL’s mission.

97 MATHEMATICS AND COMPUTING↗

Summary of Environmental Data Analysis and Work Performed by Lawrence Livermore National Laboratory (LLNL) in Support of the Navajo Nation Abandoned Mine Lands Project at Tse Tah, Arizona

This report summarizes work performed by Lawrence Livermore National Laboratory (LLNL) under Navajo Nation Services Contract CO9729 in support of the Navajo Abandoned Mine Lands Reclamation Program (NAMLRP). Due to restrictions on access to uranium mine waste sites at Tse Tah, Arizona that developed during the term of the contract, not all of the work scope could be performed. LLNL was able to interpret environmental monitoring data provided by NAMLRP. Summaries of these data evaluation activities are provided in this report. Additionally, during the contract period, LLNL provided technical guidance, instructional meetings, and review of relevant work performed by NAMLRP and its contractors that was not contained in the contract work scope.

54 ENVIRONMENTAL SCIENCES↗

Probabilistic Seismic Hazards Update for LLNL: PSHA Results Report

This report presents the Probabilistic Seismic Hazard Analysis (PSHA) performed for Building 332 at the Lawrence Livermore National Laboratory (LLNL), near Livermore, CA by Fugro Consultants, Inc. (FCL). This report is specific to Building 332 only and not to other portions of the Laboratory. The study performed for the LLNL site includes a comprehensive review of recent information relevant to the LLNL regional tectonic setting and regional seismic sources in the vicinity of the site and development of seismic wave transmission characteristics. The Seismic Source Characterization (SSC), documented in Project Report No. 2259-PR-02 (FCL, 2015a), and Ground Motion Characterization (GMC), documented in Project Report No. 2259-PR-06 (FCL, 2015c) were developed in accordance with ANS/ANSI 2.29-2008 Level 2 PSHA guidelines. The ANS/ANSI 2.29-2008 Level 2 PSHA framework is documented in Project Report No. 2259-PR-05 (FCL, 2016a). The Hazard Input Document (HID) for input into the PSHA developed from the SSC is presented in Project Report No. 2259-PR-04 (FCL, 2016b). The site characterization used as input for development of the idealized site profiles including epistemic uncertainty and aleatory variability is presented in Project Report No. 2259-PR-03 (FCL, 2015b).

42 ENGINEERING↗

Assessing the Implementation of an SDM at Sandia and LLNL

This report assesses the proposed implementation of a Scientific Data Management system that could be co-developed by LLNL and SNL and installed at each lab. In the current view, the systems would not be connected to each other. This report examines the different collaboration possibilities and status of planning and implementation of the teams at LLNL and SNL. The report uses identified requirements from previous work that has been done and documented in [1]. In that work, a set of simulation data management requirements was developed during a series of meetings, starting from requirements developed by Sandia Laboratory. These requirements are expected to evolve, and it is recommended that these requirements be revisited and updated for the following reasons: 1- Advancement in the computing hardware and software which leads to more processing power and better data movement speeds. 2- Advancement in computer algorithms which creates opportunities for better data management and analysis. 3- The need to expand and add to the capabilities of the SDM tools due to advancement in the applications software and due to new requirements by the scientific community. This report builds upon the experience from the work that has been done by some of the team members and the current SDM development efforts at LLNL and Sandia.

96 KNOWLEDGE MANAGEMENT AND PRESERVATION↗

Multi-Physics Signature Field Experiment at LLNL's Site 300 (S300 FE): Atmospheric Sampling Technical Report

As a part of LLNL’s Local Venture’s field experiment (S300 FE), Site 300 was instrumented to determine the feasibility and methodology needed to detect an “atmospheric chemical signature” from an explosion. This objective was just one within a broader field campaign to collect multi-physics data for the Local Venture. LLNL leveraged two planned, above-ground shot events at B851’s open firing table in April 2017 which served as the explosive devices. Gas samples were taken using continuous in situ sensors and timed bag collection sampling. In situ collection of carbon monoxide (at the ppm level) was done with a Miran SapphIRe portable ambient air analyzer. The bag samples were taken using a “blue box” gas sampler. Collected bags were analyzed for multiple species using LLNL laboratory facilities. Observations of wind speed, direction, air pressure, air temperature, and relative humidity were taken at the Site 300 52 m tall meteorological tower.

54 ENVIRONMENTAL SCIENCES↗

The LLNL Program in Nuclear Structure and Nuclear Astrophysics (NSNA) (FY19 Annual Report)

Our major efforts in FY18-19 were devoted to carrying out the second GRETINA/CHICO2 campaign at ANL and the JANUS campaign at MSU/NSCL. Among a total of 13 fielded experiments, three were for Ph.D. thesis projects; two students at MSU and one at UNC at Chapel Hill. Two experiments in the JANUS campaign were led by LLNL; namely, the study of nuclear structure in 72 Se and 76 Se using the sub-barrier Coulomb excitation method. The data analysis was completed for both selenium isotopes and the results were published. The 72 Se results have been submitted to DOE/SC/NP as a science highlight and the article won a prestigious LLNL S&T Excellence in Publication Award in FY19. For experiments fielded in FY17 at TRIUMF/ISAC2 using TIGRESS/Bambino, the data analysis was completed recently and the 21 Mg results were published in FY19. For the results on the mirror nuclei 23 Mg and 23 Na, the manuscript was written and is in circulation among the coauthors. We intend to submit it for publication later this calendar year. These efforts address the isospin symmetry in the sd shell nuclei in terms of the electromagnetic properties measured with the sub-barrier Coulomb excitation method. The proposal to upgrade CHICO2 to CHICOX by resizing the detector chamber to be compatible to GRETA was approved in FY17 with a budget spread over three fiscal years starting FY18. The preliminary design was completed but cannot be finalized until the design for the GRETA holding frame is completed by the LBNL GRETA team in FY19. The fabrication will proceed once the physical compatibility of CHICOX to GRETA holding frame is confirmed. The narrative below focuses on the research efforts for which LLNL led or played a key role. This report includes two sections: 1) Evolution of shell structure and collectivity in neutron-rich nuclei, and 2) Investigating nucleosynthesis and the Standard Model with β decay.

42 ENGINEERING↗

TRT Compton Scattering Data: Comparisons between LLNL and LANL: Pointwise

This memo is one of a pair of reports comparing Compton scattering data in the context of thermal radiation transport (TRT). This document focuses on Pointwise (PW) data while the other report focuses on Multigroup (MG) data. These complementary analyses, via PW comparisons, show if the same physics are used and if fundamental bugs are present, and, via MG comparisons, quantify macroscopic Compton effects such as mean amplification factors. No averaging of Compton data over photon energy is done for the PW comparisons, while lab-dependent numerical resolution choices become relevant for the MG comparisons. This document plots and quantifies differences in PW Compton scattering data between LANL and LLNL for four disparate temperatures on a logarithmically-spaced energy grid. PW comparisons means we use the received LLNL data as-is, without any averaging or integration over energy. In addition to LANL-to-LLNL comparisons, we investigate the impact of numerical choices on LANL PW data. For the purposes of this comparison, we neglect induced scattering.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

TRT Compton Scattering Data: Comparisons between LLNL and LANL: Multigroup

This memo is one of a pair of reports comparing Compton scattering data in the context of thermal radiation transport (TRT). This document focuses on Multigroup (MG) data while the other report focuses on Pointwise (PW) data. These complementary analyses, via PW comparisons, show if the same physics are used and if fundamental bugs are present, and, via MG comparisons, quantify macroscopic Compton effects such as mean amplification factors. No averaging of Compton data over photon energy is done for the PW comparisons, while lab-dependent numerical resolution choices become relevant for the MG comparisons. For this MG-comparison report, we make and document the numerical assumptions we use to convert LLNL PW data into MG data. This document plots and quantifies differences in Compton scattering data between MG LANL and LLNL for four disparate temperatures on a logarithmically-spaced photon-energy grid. In addition to LANL and LLNL data, we add a third and fourth independent vote from data generated by Brooks Kinch (LANL postdoc). For the purposes of these comparisons, we neglect induced scattering.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

FY20 LLNL Experimental Programs at Omega

In Fiscal Year 2020 (FY20), Lawrence Livermore National Laboratory’s (LLNL’s) High-Energy-Density Physics (HED) and Indirect Drive Inertial Confinement Fusion (ICF-ID) programs conducted numerous campaigns on the OMEGA and OMEGA-EP (EP) laser systems. This was the 22ndyear of National Lab collaborative experiments at OMEGA since the Nova Laser at LLNL shut down in 1999, building upon prior collaborations. In FY20overall,these LLNL programs led 375target shots, with 166shots using just the OMEGA laser system and209 shots using just the EP laser system. Approximately 34% of the total number of shots (35OMEGA shots and 93EP shots) supported the Indirect Drive Inertial Confinement Fusion Campaign. The remaining 66% (131OMEGA-only shots and 116EP-only shots) were dedicated to experiments for High-Energy-Density Physics.Highlights of the various HED and ICF-ID campaigns are summarized in the following reports.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Report on the LLNL Global Full-waveform Inversion Workflow and Progress

LLNL has developed the SPiRaL global seismic tomography model based upon millions of body wave travel times and surface wave dispersion curves in the period range of 25-200 seconds (Simmons et al., 2021). The motivation to construct the SPiRaL model (which stands for S-, P-, Rayleigh, and Love waves) is based upon the guidance provided by a 3-D model workshop held in Berkeley in 2007 and documented in a paper by Zucca et al. (2009). It was concluded in Zucca et al. (2009) that a “practical and obtainable” model is one that predicts body wave travel times for event location while also predicting surface wave velocities for moment tensor estimation. We have largely followed that guidance which has led to the construction of SPiRaL. Looking forward, we now seek to improve the global model through full waveform inversion (FWI). This necessitates the development/customization of an efficient and flexible modeling workflow to automate the process using LLNL’s supercomputing platforms. This report briefly outlines the work that being performed at LLNL to develop the necessary tools and framework to update the SPiRaL global model with full waveform information.

58 GEOSCIENCES↗