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Advanced Simulation and Computing Co-Design Strategy

This ASC Co-design Strategy lays out the full continuum and components of the co-design process, based on what we have experienced thus far and what we wish to do more in the future to meet the program’s mission of providing high performance computing (HPC) and simulation capabilities for NNSA to carry out its stockpile stewardship responsibility.

97 MATHEMATICS AND COMPUTING↗

Nevada National Security Site Environmental Report 2014

This Nevada Nuclear Security Site Environmental Report (NNSSER) was prepared to satisfy DOE Order DOE O 231.1B, “Environment, Safety and Health Reporting.” Its purpose is to (1) report compliance status with environmental standards and requirements, (2) present results of environmental monitoring of radiological and nonradiological effluents, (3) report estimated radiological doses to the public from releases of radioactive material, (4) summarize environmental incidents of noncompliance and actions taken in response to them, (5) describe the NNSA/NFO Environmental Management System and characterize its performance, and (6) highlight significant environmental programs and efforts.This NNSSER summarizes data and compliance status for calendar year 2014 at the Nevada National Security Site (NNSS) (formerly the Nevada Test Site) and its two support facilities, the North Las Vegas Facility (NLVF) and the Remote Sensing Laboratory–Nellis (RSL-Nellis). It also addresses environmental restoration (ER) projects conducted at the Tonopah Test Range (TTR) and the Nevada Test and Training Range (NTTR). Through a Memorandum of Agreement, NNSA/NFO is responsible for the oversight of these ER projects, and the Sandia Field Office of NNSA (NNSA/SFO) has oversight of all other TTR and NTTR activities. NNSA/SFO produces the TTR annual environmental report, which is available at http://www.sandia.gov/news/publications/environmental/index.html.Major Site Programs and Facilities NNSA/NFO directs the management and operation of the NNSS and six sites across the nation. The six sites include two in Nevada (NLVF and RSL-Nellis) and four in other states (RSL-Andrews in Maryland, Livermore Operations in California, Los Alamos Operations in New Mexico, and Special Technologies Laboratory in California). Los Alamos, Lawrence Livermore, and Sandia National Laboratories are the principal organizations that sponsor and implement the nuclear weapons programs at the NNSS. National Security Technologies, LLC (NSTec), is the current Management and Operating contractor accountable for the successful execution of work and ensuring that work is performed in compliance with environmental regulations. The six sites all provide support to enhance the NNSS as a location for weapons experimentation and nuclear test readiness. The three major NNSS missions include National Security/Defense, Environmental Management, and Nondefense. The major programs that support these missions are Stockpile Stewardship and Management, Nonproliferation and Counterterrorism, Nuclear Emergency Response, Strategic Partnership Projects, Environmental Restoration, Waste Management, Conservation and Renewable Energy, Other Research and Development, and Infrastructure. The major facilities that support the programs include the U1a Facility, Big Explosives Experimental Facility (BEEF), Device Assembly Facility, Dense Plasma Focus Facility, Joint Actinide Shock Physics Experimental Research Facility, Radiological/Nuclear Countermeasures Test and Evaluation Complex, Nonproliferation Test and Evaluation Complex (NPTEC), Radiological/Nuclear Weapons of Mass Destruction Incident Exercise Site (known as the T-1 Site), Area 5 Radioactive Waste Management Complex (RWMC), and the Area 3 Radioactive Waste Management Site (RWMS).

54 ENVIRONMENTAL SCIENCES↗

Hydrogen Assisted Fracture of Stainless Steels

The Enhanced Surveillance Sub-program has an annual NNSA requirement to submit a comprehensive report on all our fiscal year activities right after the start of the next calendar year. As most of you know, we collate all of our PI task submissions into a single volume that we send to NNSA, our customers, and use for other programmatic purposes. The functional objective of this report is to formally document the purpose, status, and accomplishments and impacts of all our work. For your specific submission, please follow the instructions described below and use the template provided. These are essentially the same as was used last year. We recognize this report may also include information on specific age-related findings that you will provide again in a few months as input to the Stockpile Annual Assessment process (e.g., in the submittal of your Component Assessment Report). However, the related content of your ES AR input should provide an excellent foundation that can simply be updated as needed for your Annual Assessment input.

36 MATERIALS SCIENCE↗

Procurement of 100 kg of Enriched Xenon for the EXO Prototype and for its Installation at WIPP

This grant supported the enriched xenon procurement, detector construction and initial operation of the EXO-200 double beta decay experiment at the Waste Isolation Pilot Plant (WIPP). The period of performance was Aug 15, 2002 to Dec 31, 2014. The primary goal of the experiment is to search for the very rare (and to date not observed) neutrino-less double beta decay. Such decay, if observed, would shed the light of the quantum-mechanical structure of neutrinos, and the origins of elementary particle masses. Another goal of the detector is to serve as prototype of a larger neutrino-less double beta decay experiment, currently being considered by DOE-OS. EXO-200 has already been extremely successful in both areas and is, in fact, leading the way world-wide in this area of fundamental physics. In the initial part of the grant the EXO-200 collaboration acquired 200kg of xenon enriched to 80% in the isotope 136 that is a candidate for double beta decay. At the time this was the largest isotope separation program carried out for fundamental science. The enrichment was done in Russia, providing a rare and valuable opportunity for US scientists to work alongside Russian colleagues, in some cases from the former closed cities of their military complex. By now the EXO-200 collaboration include institutions from the US, Canada, South Korea, China, Germany, Switzerland and Russia. Many collaborating scientists from these countries have taken shifts at WIPP or at the various remote monitoring sites world-wide. EXO-200 detector construction was completed in early 2010, with the time projection chamber (TPC) installation in the cleanrooms already placed in NeXA. Detector commissioning at WIPP followed, with the last phase, the filling of the TPC with liquid Xenon, occurring in the spring 2011. EXO-200 is described in [1]. Low background data taking started on Jun 1, 2011 and within the first month of data the 2-neutrino double beta decay of 136Xe was discovered, as reported in [2]. More data provided the best half-life measurement of any 2-neutrino double-beta decay modes [3]. Until Feb 2014 the detector ran continuously producing some of the world leading results in the field and, in particular, two of the most sensitive searches for neutrinoless double beta decay [4,5]. These measurements show that the half life of this decay is longer than 1015 times the age of the universe. This is one of the leading results in this field world-wide and succeeded to put the DOE-funded research on the world stage in a very cost-effective way. Other results from EXO-200 include a search for exotic double-beta decay modes [6], a detailed report on the state of the art background levels achieved in the detector [7], the study of rare ion and neutral atom motion and neutralization rates in liquid Xenon [8], a study of the cosmogenic backgrounds in the detector at WIPP’s depth [9], a search for Lorentz and CPT symmetries violation [10] and a search for double-beta decay to excited states [11]. In Feb 2014 the EXO-200 detector was severely disrupted by the accidents in the WIPP underground (unrelated to EXO-200). The EXO-200 operations team was able to recover the unique stockpile of enriched Xenon to high pressure cylinders and warm-up the detector to room temperature without damaging the very delicate equipment. This was a very impressive achievement as no plan had been made to complete these operations entirely from remote. This validates the robustness of well-designed liquid xenon detectors for this and other measurements in particle and nuclear astrophysics. The operations team re-gained almost regular access to the WIPP underground and the EXO-200 detector in Jan 2015 and spent calendar 2015 cleaning up the soot from the WIPP fire, assessing the damage to the EXO-200 infrastructure, correcting such damage and restarting the detector. This process was successfully carried out and culminated in the re-filling of the detector with liquid xenon, in Jan 2016. As of late Jan 2016 EXO-200 is taking data again. The collaboration is in the process of upgrading the readout electronics and restarting a radon abatement system that had been commissioned just before the Feb 2014 events. The upgraded electronics will provide lower readout noise and, in turn, better signal to background discrimination. The radon abatement system will further reduce the radon in a small air-gap between the EXO-200 cryostat and the lead shielding. In a review in Jun 2015 DOE-OS approved EXO-200 for 2.5 more years of running at the end of which we expect to improve the sensitivity to the neutrino-less double-beta decay by a factor two or three. For the last 5 years the EXO-200 detector, located in the WIPP underground, has been at the center of the hunt for new physics beyond the Standard Model of particle physics!

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Lawrence Livermore National Laboratories Perspective on Code Development and High Performance Computing Resources in Support of the National HED/ICF Effort

Through its Advanced Scientific Computing (ASC) and Inertial Confinement Fusion (ICF) code development efforts, Lawrence Livermore National Laboratory (LLNL) provides a world leading numerical simulation capability for the National HED/ICF program in support of the Stockpile Stewardship Program (SSP). In addition the ASC effort provides high performance computing platform capabilities upon which these codes are run. LLNL remains committed to, and will work with, the national HED/ICF program community to help insure numerical simulation needs are met and to make those capabilities available, consistent with programmatic priorities and available resources.

42 ENGINEERING↗

CTE Measurements for Loading Scenarios

The goals are to 1. understand full field thermal expansion of system parts by using strain gauges, DIC, and possibly ESPI. This is ultimately used to update a Finite Element Model relating to stockpile stewardship. 2. To verify the resolution of digital image correlation methods for thermal expansion measurements (CTE). A few conclusions: To this point, the DIC data shows more noise (less resolution) than we would like and Strain Gauge data is sound but it is more localized than full field.

42 ENGINEERING↗

Livermore Accelerator Source for Radionuclide Science (LASRS)

The Livermore Accelerator Source for Radionuclide Science (LASRS) will generate intense photon and neutron beams to address important gaps in the study of radionuclide science that directly impact Stockpile Stewardship, Nuclear Forensics, and Nuclear Material Detection. The co-location of MeV-scale neutral and photon sources with radiochemical analytics provides a unique facility to meet current and future challenges in nuclear security and nuclear science.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Neutron and X-ray Detectors

The Basic Energy Sciences (BES) X-ray and neutron user facilities attract more than 12,000 researchers each year to perform cutting-edge science at these state-of-the-art sources. While impressive breakthroughs in X-ray and neutron sources give us the powerful illumination needed to peer into the nano- to mesoscale world, a stumbling block continues to be the distinct lag in detector development, which is slowing progress toward data collection and analysis. Urgently needed detector improvements would reveal chemical composition and bonding in 3-D and in real time, allow researchers to watch “movies” of essential life processes as they happen, and make much more efficient use of every X-ray and neutron produced by the source The immense scientific potential that will come from better detectors has triggered worldwide activity in this area. Europe in particular has made impressive strides, outpacing the United States on several fronts. Maintaining a vital U.S. leadership in this key research endeavor will require targeted investments in detector R&D and infrastructure. To clarify the gap between detector development and source advances, and to identify opportunities to maximize the scientific impact of BES user facilities, a workshop on Neutron and X-ray Detectors was held August 1-3, 2012, in Gaithersburg, Maryland. Participants from universities, national laboratories, and commercial organizations from the United States and around the globe participated in plenary sessions, breakout groups, and joint open-discussion summary sessions. Sources have become immensely more powerful and are now brighter (more particles focused onto the sample per second) and more precise (higher spatial, spectral, and temporal resolution). To fully utilize these source advances, detectors must become faster, more efficient, and more discriminating. In supporting the mission of today’s cutting-edge neutron and X-ray sources, the workshop identified six detector research challenges (and two computing hurdles that result from the corresponding increase in data volume) for the detector community to overcome in order to realize the full potential of BES neutron and X-ray facilities. Resolving these detector impediments will improve scientific productivity both by enabling new types of experiments, which will expand the scientific breadth at the X-ray and neutron facilities, and by potentially reducing the beam time required for a given experiment. These research priorities are summarized in the table below. Note that multiple, simultaneous detector improvements are often required to take full advantage of brighter sources. High-efficiency hard X-ray sensors: The fraction of incident particles that are actually detected defines detector efficiency. Silicon, the most common direct-detection X-ray sensor material, is (for typical sensor thicknesses) 100% efficient at 8 keV, 25%efficient at 20 keV, and only 3% efficient at 50 keV. Other materials are needed for hard X-rays. Replacement for 3He for neutron detectors: 3He has long been the neutron detection medium of choice because of its high cross section over a wide neutron energy range for the reaction 3He + n —> 3H + 1H + 0.764 MeV. 3He stockpiles are rapidly dwindling, and what is available can be had only at prohibitively high prices. Doped scintillators hold promise as ways to capture neutrons and convert them into light, although work is needed on brighter, more efficient scintillator solutions. Neutron detectors also require advances in speed and resolution. Fast-framing X-ray detectors: Today’s brighter X-ray sources make time-resolved studies possible. For example, hybrid X-ray pixel detectors, initially developed for particle physics, are becoming fairly mature X-ray detectors, with considerable development in Europe. To truly enable time-resolved studies, higher frame rates and dynamic range are required, and smaller pixel sizes are desirable. High-speed spectroscopic X-ray detectors: Improvements in the readout speed and energy resolution of X-ray detectors are essential to enable chemically sensitive microscopies. Advances would make it possible to take images with simultaneous spatial and chemical information. Very high-energy-resolution X-ray detectors: The energy resolution of semiconductor detectors, while suitable for a wide range of applications, is far less than what can be achieved with X-ray optics. A direct detector that could rival the energy resolution of optics could dramatically improve the efficiency of a multitude of experiments, as experiments are often repeated at a number of different energies. Very high-energy-resolution detectors could make these experiments parallel, rather than serial. Low-background, high-spatial-resolution neutron detectors: Low-background detectors would significantly improve experiments that probe excitations (phonons, spin excitations, rotation, and diffusion in polymers and molecular substances, etc.) in condensed matter. Improved spatial resolution would greatly benefit radiography, tomography, phase-contrast imaging, and holography. Improved acquisition and visualization tools: In the past, with the limited variety of slow detectors, it was straightforward to visualize data as it was being acquired (and adjust experimental conditions accordingly) to create a compact data set that the user could easily transport. As detector complexity and data rates explode, this becomes much more challenging. Three goals were identified as important for coping with the growing data volume from high-speed detectors: Facilitate better algorithm development. In particular, algorithms that can minimize the quantity of data stored. Improve community-driven mechanisms to reduce data protocols and enhance quantitative, interactive visualization tools. Develop and distribute community-developed, detector-specific simulation tools. Aim for parallelization to take advantage of high-performance analysis platforms. Improved analysis work flows: Standardize the format of metadata that accompanies detector data and describes the experimental setup and conditions. Develop a standardized user interface and software framework for analysis and data management. The diversity of detector improvements required is necessarily as broad as the range of scientific experimentation at BES facilities. This workshop identified a variety of avenues by which detector R&D can enable enhanced science at BES facilities. The Research Directions listed above will be addressed by focused R&D and detector engineering, both of which require specialized infrastructure and skills. While U.S. leadership in neutron and X-ray detectors lags behind other countries in several areas, significant talent exists across the complex. A forum of technical experts, facilities management, and BES could be a venue to provide further definition.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

An Overview of the Monte Carlo Methods, Codes, & Applications Group

This report sketches the work of the Group to deliver first-principle Monte Carlo methods, production quality codes, and radiation transport-based computational and experimental assessments using the codes MCNP and MCATK for such applications as criticality safety, non-proliferation, nuclear energy, nuclear threat reduction and response, radiation detection and measurement, radiation health protection, and stockpile stewardship.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Radioisotopic Thermoelectric Generator (RTG) Surveillance

This lecture discusses stockpile stewardship efforts and the role surveillance plays in the process. Performance of the RTGs is described, and the question of the absence of anticipated He is addressed.

07 ISOTOPE AND RADIATION SOURCES↗

Development and Execution of a Large-scale DDT Tube Test for IHE Material Qualification

Insensitive High Explosive (IHE) Materials are defined in Chapter IX of the DOE Explosive Safety Standard (DOE-STD-1212-2012) as being materials that are massdetonable explosives that are so insensitive that the probability of accidental initiation or transition from burning to detonation is negligible1. There are currently a number of tests included in the standard that are required to qualify a material as IHE, however, none of the tests directly evaluate for the transition from burning to detonation (aka deflagration-to-detonation transition, DDT). Currently, there is a DOE complex-wide effort to revisit the IHE definition in DOE-STD-1212-2012 and change the qualification requirements. The proposal lays out a new approach, requiring fewer, but more appropriate tests, for IHE Material qualification. One of these new tests is the Deflagration-to-Detonation Test. According to the redefinition proposal, the purpose of the new deflagration-todetonation test is “to demonstrate that an IHE material will not undergo deflagration-to-detonation under stockpile relevant conditions of scale, confinement, and material condition. Inherent in this test design is the assumption that ignition does occur, with onset of deflagration. The test design will incorporate large margins and replicates to account for the stochastic nature of DDT events.” In short, the philosophy behind this approach is that if a material fails to undergo DDT in a significant over-test, then it is extremely unlikely to do so in realistic conditions. This effort will be valuable for the B61 LEP to satisfy their need qualify the new production lots of PBX 9502. The work described in this report is intended as a preliminary investigation to support the proposed design of an overly conservative, easily fielded DDT test for updated IHE Material Qualification standard. Specifically, we evaluated the aspects of confinement, geometry, material morphology and temperature. We also developed and tested a thermally robust igniter system.

36 MATERIALS SCIENCE↗

Modeling Manufacturing Impacts on Aging and Reliability of Polyurethane Foams

Polyurethane is a complex multiphase material that evolves from a viscous liquid to a system of percolating bubbles, which are created via a CO2 generating reaction. The continuous phase polymerizes to a solid during the foaming process generating heat. Foams introduced into a mold increase their volume up to tenfold, and the dynamics of the expansion process may lead to voids and will produce gradients in density and degree of polymerization. These inhomogeneities can lead to structural stability issues upon aging. For instance, structural components in weapon systems have been shown to change shape as they age depending on their molding history, which can threaten critical tolerances. The purpose of this project is to develop a Cradle-to-Grave multiphysics model, which allows us to predict the material properties of foam from its birth through aging in the stockpile, where its dimensional stability is important.

36 MATERIALS SCIENCE↗

New Capabilities for Hostile Environments on Z Grand Challenge LDRD - Final Status

The purpose of this project was to develop new physical simulation capabilities in order to support the science-based qualification of nonnuclear weapon components in hostile radiation environments. The project contributes directly to the goals of maintaining a safe, secure, and effective US nuclear stockpile, maintaining strategic deterrence at lower nuclear force levels, extending the life of the nuclear deterrent capability, and to be ready for technological surprise.

45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEF↗

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↗

Proton Radiography at Los Alamos

The proton radiography (pRad) facility at Los Alamos National Lab uses high energy protons to acquire multiple frame flash radiographic sequences at megahertz speeds: that is, it can make movies of the inside of explosions as they happen. The facility is primarily used to study the damage to and failure of metals subjected to the shock forces of high explosives as well as to study the detonation of the explosives themselves. Applications include improving our understanding of the underlying physical processes that drive the performance of the nuclear weapons in the United States stockpile and developing novel armor technologies in collaboration with the Army Research Lab. The principle and techniques of pRad will be described, and examples of some recent results will be shown.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Scope Complexity Options Risks Excursions (SCORE) Factor Mathematical Description.

The purpose of the Scope, Complexity, Options, Risks, Excursions (SCORE) model is to estimate the relative complexity of design variants of future warhead options, resulting in scores. SCORE factors extend this capability by providing estimates of complexity relative to a base system (i.e., all design options are normalized to one weapon system). First, a clearly defined set of scope elements for a warhead option is established. The complexity of each scope element is estimated by Subject Matter Experts (SMEs), including a level of uncertainty, relative to a specific reference system. When determining factors, complexity estimates for a scope element can be directly tied to the base system or chained together via comparable scope elements in a string of reference systems that ends with the base system. The SCORE analysis process is a growing multi-organizational Nuclear Security Enterprise (NSE) effort, under the management of the NA-12 led Enterprise Modeling and Analysis Consortium (EMAC). Historically, it has provided the data elicitation, integration, and computation needed to support the out-year Life Extension Program (LEP) cost estimates included in the Stockpile Stewardship Management Plan (SSMP).

45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEF↗

Scope Complexity Options Risks Excursions (SCORE) Version 3.0 Mathematical Description.

The purpose of the Scope, Complexity, Options, Risks, Excursions (SCORE) model is to estimate the relative complexity of design variants of future warhead options. The results of this model allow those considering these options to understand the complexity tradeoffs between proposed warhead options. The core idea of SCORE is to divide a warhead option into a well- defined set of scope elements and then estimate the complexity of each scope element against a well understood reference system. The uncertainty associated with estimates can also be captured. A weighted summation of the relative complexity of each scope element is used to determine the total complexity of the proposed warhead option or portions of the warhead option (i.e., a National Work Breakdown Structure code). The SCORE analysis process is a growing multi-organizational Nuclear Security Enterprise (NSE) effort, under the management of the NA- 12 led Enterprise Modeling and Analysis Consortium (EMAC), that has provided the data elicitation, integration and computation needed to support the out-year Life Extension Program (LEP) cost estimates included in the Stockpile Stewardship Management Plan (SSMP).

45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEF↗