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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 595 records · Page 33
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Dynamically morphing microchannels in liquid crystal elastomer coatings containing disclinations

Liquid crystal elastomers (LCEs) hold a major promise as a versatile material platform for smart soft coatings, since their orientational order can be predesigned to program a desired dynamic profile. In this work, we introduce temperature-responsive dynamic coatings based on LCEs with arrays of singular defects-disclinations that run parallel to the surface. The disclinations form in response to antagonistic patterns of the molecular orientation at the top and bottom surfaces, imposed by the plasmonic mask photoalignment. Upon heating, an initially flat LCE coating develops linear microchannels located above each disclination. The stimulus that causes a non-flat profile of LCE coatings upon heating is the activation force induced by the gradients of molecular orientation around disclinations. To describe the formation of microchannels and their thermal response, we adopt a Frank-Oseen model of disclinations in patterned director field and propose a linear elasticity theory to connect the complex spatially-varying molecular orientation to the displacements of the LCE. The thermo-responsive surface profiles predicted by the theory and by the finite element modeling are in good agreement with the experimental data; in particular, higher gradients of molecular orientation produce a stronger modulation of the coating profile. The elastic theory and the finite element simulations allow us to estimate the material parameter that characterizes the elastomer coating’s response to the thermal activation. The disclinations containing LCEs show potential as soft dynamic coatings with a predesigned responsive surface profile.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Codon bias, nucleotide selection, and genome size predict in situ bacterial growth rate and transcription in rewetted soil

In soils, the first rain after a prolonged dry period represents a major pulse event impacting soil microbial community function, yet we lack a full understanding of the genomic traits associated with the microbial response to rewetting. Genomic traits such as codon usage bias and genome size have been linked to bacterial growth in soils—however, often through measurements in culture. Here, we used metagenome-assembled genomes (MAGs) with 18 O-water stable isotope probing and metatranscriptomics to track genomic traits associated with growth and transcription of soil microorganisms over one week following rewetting of a grassland soil. We found that codon bias in ribosomal protein genes was the strongest predictor of growth rate. We also found higher growth rates in bacteria with smaller genomes, suggesting that reduced genome size enables a faster response to pulses in soil bacteria. Faster transcriptional upregulation of ribosomal protein genes was associated with high codon bias and increased nucleotide skew. We found that several of these relationships existed within phyla, indicating that these associations between genomic traits and activity could be generalized characteristics of soil bacteria. Finally, we used publicly available metagenomes to assess the distribution of codon bias across a pH gradient and found that microbial communities in higher pH soils—which are often more water limited and pulse driven—have higher codon usage bias in their ribosomal protein genes. Together, these results provide evidence that genomic characteristics affect soil microbial activity during rewetting and pose a potential fitness advantage for soil bacteria where water and nutrient availability are episodic.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2020

Quasi-equilibrium predictions of water desorption kinetics from rapidly-heated metal oxide surfaces

Controlling sub-microsecond desorption of water and other impurities from electrode surfaces at high heating rates is crucial for pulsed power applications. Despite the short time scales involved, quasi-equilibrium ideas based on transition state theory (TST) and Arrhenius temperature dependence have been widely applied to fit desorption activation free energies. Here, we apply molecular dynamics (MD) simulations in conjunction with equilibrium potential-of-mean-force (PMF) techniques to directly compute the activation free energies (ΔG*) associated with desorption of intact water molecules from Fe 2 O 3 and Cr 2 O 3 (0001) surfaces. The desorption free energy profiles are diffuse, without maxima, and have substantial dependences on temperature and surface water coverage. Incorporating the predicted ΔG* into an analytical form gives rate equations that are in reasonable agreement with non-equilibrium molecular dynamics desorption simulations. We also show that different ΔG* analytical functional forms which give similar predictions at a particular heating rate can yield desorption times that differ by up to a factor of four or more when the ramp rate is extrapolated by 8 orders of magnitude. This highlights the importance of constructing a physically-motivated ΔG* functional form to predict fast desorption kinetics.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

H-lignin can be deposited independently of CINNAMYL ALCOHOL DEHYDROGENASE C and D in Arabidopsis

Abstract Lignin contributes substantially to the recalcitrance of biomass toward saccharification. To circumvent this problem, researchers have genetically altered lignin, although, in a number of cases, these efforts have resulted in an undesirable yield penalty. Recent findings have shown that by knocking out two subunits (MED5A and MED5B) of the transcriptional regulatory complex Mediator, the stunted growth phenotype of mutants in p-coumaroyl shikimate 3′-hydroxylase, reduced epidermal fluorescence 8-1 (ref8-1), can be alleviated. Furthermore, these plants synthesize a lignin polymer almost entirely derived from p-coumaryl alcohol. Plants deficient in cinnamyl alcohol dehydrogenase (CAD) are notable in that they primarily incorporate coniferaldehyde and sinapaldehyde into their lignin. We tested the hypothesis that by stacking mutations in the genes encoding for the CAD paralogs C and D on an Arabidopsis (Arabidopsis thaliana) med5a/5b ref8-1 genetic background, the biosynthesis of p-coumaryl alcohol would be blocked, making p-coumaraldehyde available for polymerization into a novel kind of lignin. The med5a/5b ref8-1 cadc cadd plants are viable, but lignin analysis demonstrated that they continue to synthesize p-hydroxyphenyl lignin despite being mutated for the CADs typically considered to be required for monolignol biosynthesis. In addition, enzyme activity tests showed that even in the absence of CADC and CADD, there is high CAD activity in stems. We tested the potential involvement of other CADs in p-coumaraldehyde biosynthesis in the quintuple mutant by mutating them using the CRISPR/Cas9 system. Lignin analysis demonstrated that the resulting hextuple mutant plants continue to deposit p-coumaryl alcohol-derived lignin, demonstrating a route for the synthesis of p-hydroxyphenyl lignin in Arabidopsis independent of four CAD isoforms.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2021

Investigation of the effect of local atomic polarization on field-enhanced ion transport in insulating binary oxides: The case of CeO 2

Over the course of more than 70 years, several theoretical models for electric field-enhanced ion diffusion in crystalline insulators have been presented. However, there is no assessment of the validity of these models despite the urge to have a correct description of field-enhanced ion diffusion in several emerging technologies. Herein, an assessment of five models was carried out by computing the field-dependent migration enthalpy ΔH mig (E) for the oxide ion in CeO 2 . The input to these models is the zero-field and zero-temperature migration pathway and/or the activation barrier obtained from an interatomic potential. ΔH mig (E) from these models was compared with reference values obtained from a set of classical molecular-dynamics simulations in the temperature range of 1000 ≤ T ≤ 1600 K and the electric field range of 0 ≤ E ≤ 30 MV/cm. It is revealed that the most successful theoretical models are those that consider local polarization effects induced in the diffusing ion itself and its vicinity. However, all the models did not account for the effect of the electric field and finite temperature on the local polarization, leading to discrepancies between the predicted and the reference ΔH mig (E), particularly at high fields. By comparing results from a rigid-ion potential and a polarizable core-shell potential, it is concluded that an intraionic polarization degree of freedom in the polarizable potential is an important factor in predicting ΔH mig (E), regardless of the field-enhanced diffusion model particularly for low to moderate field. Finally, future more accurate treatments should consider the field- and temperature-dependent interionic and intraionic local polarization effects.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Malicious Cyber Activity Detection using Zigzag Persistence

In this study we synthesize zigzag persistence from topological data analysis with autoencoder-based approaches to detect malicious cyber activity, and derive analytic insights. Cybersecurity aims to safeguard computers, networks, and servers from various forms of malicious attacks, including network damage, data theft, and activity monitoring. We focus on the cybersecurity domain and investigate the detection of malicious activity using log data. We consider the dynamics of the log data and explore the changing topology of a hypergraph representation of this data to gain insights into the underlying activity. These hypergraphs capture complex interactions between processes, together with their temporal information. To study the changing topology we use zigzag persistence, which captures how topological features persist at multiple dimensions over time. We observe that this detects malicious activity in a cyber data set. To automate this detection we implement an autoencoder trained on a vectorization of the resulting zigzag persistence barcodes. Our experimental results demonstrate the effectiveness of the autoencoder in detecting malicious activity. Overall, this study highlights the potential of zigzag persistence and its combination with temporal hypergraphs for analyzing cybersecurity log data and detecting malicious behavior.

hypergraphs, temporal hypergraph, topological data↗
DOE OSTI2023

Coordination of Networked Microgrids for Supporting Voltages of Bulk Power Systems

Active distribution system resources have the potential to support the bulk power system (BPS) during abnormal conditions, increasing reliability and resilience of power systems and end-use customers. This paper investigates for the first time the BPS voltage support provided by networked microgrids at the feeder level. A peer-to-peer (P2P) communication control framework is introduced to enable the coordination of multiple microgrids in a mixed ownership environment. This allows the microgrids to run a consensus algorithm (CA) to distributedly determine their own reactive power injections. Thus, the reactive power injection contribution is realized in a fair manner by having the same ratio of reactive power injection to the reactive power headroom for all microgrids. The CA implementation and performance within the P2P network framework are demonstrated on the IEEE 39-bus testcase system with 10 microgrids part of the distribution feeder assumed to be connected to one of the BPS buses.

Vu, Thanh Long↗
DOE OSTI2020

Optimizing Piezoelectric Material Location and Size for Multiple-Mode Vibration Reduction of Turbomachinery Blades

Modern turbomachinery blades have extremely low inherent damping, which can lead to high transient vibrations and failure through high-cycle fatigue. Smart materials enable vibration reduction while meeting strict blade requirements such as weight and aerodynamic efficiency. In particular, piezoelectric-based vibration reduction offers the potential to reduce vibration semi-actively while simultaneously harvesting sufficient energy to power the implementation. The placement and the size of the piezoelectric material is critical to the vibration reduction capabilities of the system. Furthermore, the implementation should target multiple vibration modes. In this study, we develop a procedure to optimize electromechanical coupling across multiple vibration modes for a representative turbomachinery blade with surface-mounted piezoelectric patches. Experimental validation demonstrates good coupling across three targeted modes with a single piezoelectric patch. Placing the piezoelectric material in regions of high signed strain energy for all targeted modes enables vibration reduction across all of the targeted modes.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Multi-principal elemental intermetallic nanoparticles synthesized via a disorder-to-order transition

Nanoscale multi-principal element intermetallics (MPEIs) may provide a broad and tunable compositional space of active, high–surface area materials with potential applications such as catalysis and magnetics. However, MPEI nanoparticles are challenging to fabricate because of the tendency of the particles to grow/agglomerate or phase-separated during annealing. Here, we demonstrate a disorder-to-order phase transition approach that enables the synthesis of ultrasmall (4 to 5 nm) and stable MPEI nanoparticles (up to eight elements). We apply just 5 min of Joule heating to promote the phase transition of the nanoparticles into L1 0 intermetallic structure, which is then preserved by rapidly cooling. This disorder-to-order transition results in phase-stable nanoscale MPEIs with compositions (e.g., PtPdAuFeCoNiCuSn), which have not been previously attained by traditional synthetic methods. This synthesis strategy offers a new paradigm for developing previously unexplored MPEI nanoparticles by accessing a nanoscale-size regime and novel compositions with potentially broad applications.

25 ENERGY STORAGE↗
DOE OSTI2020

Knocking out barriers to engineered cell activity

Engineered T cell therapies are revolutionizing cancer treatment by achieving long-lasting remission in blood-related cancers, such as leukemia and lymphoma. These therapies involve removal of patient T cells, “reprogramming” them to attack cancer cells, and then transferring them back into the patient. Targeted gene inactivation (knockout) using CRISPR-Cas9 can enhance T cell activity (1, 2) and has the potential to expand cell therapy applications. Until now, it has been unknown whether CRISPR-Cas9–edited T cells would be tolerated and thrive once reinfused into a human. On page 1001 of this issue, Stadtmauer et al. (3) present data from a phase 1 clinical trial (designed to test safety and feasibility) on the first cancer patients treated with CRISPR-Cas9–modified T cells. The findings represent an important advance in the therapeutic application of gene editing and highlight the potential to accelerate development of cell-based therapies.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2026

Dynamic asymmetric strain imprinted into substrates by an oxide thin film

In film-substrate systems, the substrate role is often considered to be limited to providing static mechanical constraints. Dynamic film-substrate interactions when a structural change in the film modifies the substrate are generally disregarded. Here, using combined x-ray and electron microscopies, we observed that an electrically induced filament in a vanadium dioxide film created strong asymmetric strain in an underlying sapphire substrate. This asymmetric substrate strain fed back into the film and defined the filament expansion direction, revealing the importance of film-substrate dynamic interactions in determining film functionality. Furthermore, the strain imprint propagated at least tens of micrometers deep into the substrate, exceeding the film thickness by more than 200-fold, potentially enabling substrate functionalization as an active mechanical coupling media in three-dimensional integrated microelectronic architectures.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Electro–Oxidation of Nitroxide Radicals: Adsorption–Mediated Charge Transfer Probed Using SERS and Potentiometry

Organic compounds containing nitroxide radicals such as 4–hydroxy–2,2,6,6–tetramethylpiperidine–1–oxyl (4–hydroxy–TEMPO) are redox–active and are of interest for potential applications in redox flow batteries. The mechanisms governing charge–transfer reactions of such compounds are not well understood. Specifically, the anodic charge transfer coefficient (αa) corresponding to the electro–oxidation of 4–hydroxy–TEMPO in an aqueous medium is ~0.9, i.e., αa deviates considerably from the expected value (0.5) for a symmetric single–step one–electron transfer redox reaction. In a previous publication (J. Electrochem. Soc., 2020, 167, 143505), we have proposed a reaction mechanism to explain such asymmetric behavior by invoking adsorption–desorption processes. In the proposed mechanism, reversible oxidation of 4–hydroxy–TEMPO leads to the adsorption of the oxidation product, which then undergoes slow rate–limiting desorption from the electrode surface. In the present contribution, supporting evidence is provided for this mechanism. In situ surface–enhanced Raman spectroscopy combined with density functional theory simulations are employed to confirm the presence of surface–adsorbed species at a Au electrode during electro–oxidation of 4–hydroxy–TEMPO. Furthermore, we employ chronopotentiometry to track the gradual re–equilibration of the electrode–electrolyte interface following the electro–oxidation of 4–hydroxy–TEMPO. Analysis of the chronopotentiometry data further suggests the presence of adsorbed species, which were previously proposed and are now confirmed by direct spectroscopic evidence.

25 ENERGY STORAGE↗
DOE OSTI2025

Direct Conversion of MnO2 into Atomic Mn Sites for Oxygen Reduction

Development of platinum group metal (PGM)-free catalysts has been investigated to replace the platinum group metal catalyst in future inexpensive polymer electrolyte membrane (PEM) fuel cells. Usually, synthetic methods for these PGM-free catalysts involve introducing transition-metal salts or molecules. Herein, we demonstrate a facile synthetic method to prepare PGM-free Mn-N-C catalysts by directly converting manganese oxides into highly active MnN4 sites. Typically, MnO2 is used as a Mn source. Ammonium chloride and benzimidazole are introduced during high-temperature treatment to enhance catalytic activity and stability further. Ammonia generated from the decomposition of ammonium chloride can improve the intrinsic ORR activity of MnNx moieties through chemical or electronic effects by introducing additional nitrogen groups. The Mn-N-C catalyst exhibits promising ORR activity, achieving a half-wave potential of 0.83 V in 0.5 M H2SO4, outperforming most PGM-free ORR catalysts. The robust carbon structure resulting from organic-molecule treatment is also verified by electrochemical and physical characterization, thereby improving the catalyst's durability.

Yang, Xiaoxuan↗
DOE OSTI2020

A pipeline for targeted metagenomics of environmental bacteria

Background:Metagenomics and single cell genomics provide a window into the genetic repertoire of yet uncultivated microorganisms, but both methods are usually taxonomically untargeted. The combination of fluorescence in situ hybridization (FISH) and fluorescence activated cell sorting (FACS) has the potential to enrich taxonomically well-defined clades for genomic analyses. Methods:Cells hybridized with a taxon-specific FISH probe are enriched based on their fluorescence signal via flow cytometric cell sorting. A recently developed FISH procedure, the hybridization chain reaction (HCR)-FISH, provides the high signal intensities required for flow cytometric sorting while maintaining the integrity of the cellular DNA for subsequent genome sequencing. Sorted cells are subjected to shotgun sequencing, resulting in targeted metagenomes of low diversity. Results: Pure cultures of different taxonomic groups were used to (1) adapt and optimize the HCR-FISH protocol and (2) assess the effects of various cell fixation methods on both the signal intensity for cell sorting and the quality of subsequent genome amplification and sequencing. Best results were obtained for ethanol-fixed cells in terms of both HCR-FISH signal intensity and genome assembly quality. Our newly developed pipeline was successfully applied to a marine plankton sample from the North Sea yielding good quality metagenome assembled genomes from a yet uncultivated flavobacterial clade. Conclusions: With the developed pipeline, targeted metagenomes at various taxonomic levels can be efficiently retrieved from environmental samples. The resulting metagenome assembled genomes allow for the description of yet uncharacterized microbial clades.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2021

FY2020 Savannah River Site Composite Analysis Annual Summary Review

This document provides the Department of Energy (DOE) Order 435.1 and its manual, Radioactive Waste Management (DOE 2021a, 2021b) required Annual Review for the Savannah River Site (SRS) Composite Analysis (CA). Progress made to-date toward addressing the secondary issue from the LFRG review of the 2010 SRS CA has focused primarily upon inventory estimate improvements. Inventory impacts dose in a linear fashion and reduces the uncertainty with the CA conclusions. Maintenance items are addressed, as funding allows, based on the relative risk associated with meeting the performance objectives. Currently, there is minimal risk in exceeding the DOE 100 mrem/yr CA primary dose limit or the DOE 30 mrem/yr dose constraint (administrative limit). Proposed activities, discoveries, new information and changes potentially affecting the 2010 SRS CA are documented in this and earlier Annual Summary reports, and a consolidated list of changes since the 2010 CA is documented in this report. The impact to the CA of changes arising from updated performance assessment (PA) baselines [i.e., Saltstone Disposal Facility (SDF), E-Area Low-Level Waste Facility (ELLWF), and F & H Tank Farm (FTF & HTF) closures] is expected to be minor for the following reasons: The primary contributors to the SRS CA dose impact at the Upper Three Runs (UTR) point of assessment (POA) are the H-Canyon and Mixed Waste Management Facility (MWMF), contributing 68% and 9%, respectively, to the dose impact at that POA. The combined contribution to the UTR dose impact from all PA’s (SDF, ELLWF, FTF and HTF) is ~2% of this total. The 2010 SRS CA model validation performed indicates that the CA projected dose, while generally conservative, provides a reasonable representation of the maximum annual doses. Doses evaluated are well below the SRS established 15 mrem/yr administrative limit (Crapse et al. 2011). Based on the assessment presented within this annual review and collective engineering judgement, the conclusions of the 2010 SRS CA remain valid and there is reasonable assurance that SRS will meet the performance objectives delineated in DOE Manual 435.1-1. The 2010 SRS CA should be updated to incorporate PA changes, proposed changes to inventories and sources and model improvements accumulated since the 2010 CA. The timing will be dependent on the completion of the ongoing E-Area PA revision.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2022

An Introduction to Los Alamos National Laboratory [Slides]

The Weapon Systems Engineering Division (W) provides the system engineering and program management necessary to sustain the safety, reliability, and security of the Los Alamos National Laboratory’s assets in the active United States nuclear stockpile - the B61, W76, W78 and W88. The Division generates key certification data for Annual Assessment supporting the Laboratory Director's letter to the President on the health of those warheads. This role demands ongoing surveillance of the active stockpile and evaluation of the potential impact of any issues through design, engineering, fabrication, testing using state-of-the-art computational simulation tools and engineering test facilities. The Division works in close liaison with the several production facilities across the nuclear security complex as well as with the customers in the US Navy and Air Force.

98 NUCLEAR DISARMAMENT, SAFEGUARDS, AND PHYSICAL P↗
DOE OSTI2022

Enhancing Risk Analysis of Accidental Release Using CFD Modeling and Machine Learning

This project report presents the results from the AU31 project that is entitled “Enhancing Risk Analysis of Accidental Release Using CFD Modeling and Machine Learning” performed between FY2021 and FY2022. The technical objective of this project is to enhance risk analysis of accidental release of radioactive materials and provide novel risk forecasting and capabilities for assessing unplanned hazardous chemical releases for the U.S. Department of Energy (DOE). The approach includes a cross-platform finite element analysis of airborne chemical release, machine learning (ML) for simulation and forecasting, and a big data approach to data management, transformation and analysis capable of handling petabyte-scale unstructured and structured data. The outcome of these findings were assembled and accessible as a final output via an intuitive web hosted geospatial-based user interface for demonstration and general dissemination. These new results also provide a mechanism of combining this knowledge in a risk analysis framework tool. The geospatial analysis and output can utilize 5 years of qualified meteorological data to illustrate projected plume footprints that are generated from computational aspects of this study. Specifically, we show the development of a geospatial risk analysis capabilities to respond to and plan for accidental release of radioactive materials and to provide a risk forecasting tool for assessing hazardous chemical releases for the DOE. The focus of this effort is germane to common practices in risk analysis; and it is highly relevant to the timely and transparent release of information related to materials at risk including hazardous materials and chemical vapors and rapid assessment of the potential impacts on the workforce at active sites across the DOE complex.

42 ENGINEERING↗
DOE OSTI2023

Advanced Simulation and Computing: ASC FY24 Implementation Plan

The DOE National Nuclear Security Administration (NNSA) Stockpile Stewardship Program (SSP) is an integrated technical program for maintaining the safety, security, and reliability of the U.S. nuclear stockpile. The SSP incorporates nuclear test data, computational modeling and simulation, and experimental facilities to advance understanding of nuclear weapons. The suite of data analyzed comes from activities including previous nuclear tests, stockpile surveillance, experimental research, and development and engineering programs. This integrated national program requires the continued use of experimental facilities and the computational capabilities to support the SSP missions. These component parts, in addition to an appropriately scaled production capability, enable NNSA to support stockpile requirements. The ultimate goal of the SSP, and thus of the Advanced Simulation and Computing (ASC) program, is to ensure that the U.S. maintains a safe, secure, and effective strategic deterrent. The ASC program is a cornerstone of the SSP, providing simulation capabilities and computational resources to support the annual stockpile assessment and certification process, study advanced nuclear weapons design and manufacturing processes, analyze accident scenarios and weapons aging, and provide the tools to enable stockpile Life Extension Programs (LEPs) and the resolution of Significant Finding Investigations (SFIs). This work requires a balance of resources, including technical staff, hardware, simulation software, and computer science solutions. The ASC program focuses on increasing the predictive capabilities in a three-dimensional (3D) simulation environment while maintaining support to the SSP. The Program continues to improve its unique tools for understanding and solving progressively more difficult stockpile problems (sufficient resolution, dimensionality, and scientific details), and quantifying critical margins and uncertainties. Resolving each issue requires increasingly difficult analyses because the aging process has progressively moved the stockpile further from the original test base. While the focus remains on the U.S. nuclear weapons program, where possible, the Program also enables the use of high-performance computing (HPC) and simulation tools to address broader national security needs, such as foreign nuclear weapon assessments and nuclear counterterrorism. The 2022 Nuclear Posture Review (NPR) calls for NNSA to “deliver a modern, adaptive nuclear security enterprise based on an integrated strategy for risk management, production-based resilience, science and technology innovation, and workforce initiatives.” Furthermore, “NNSA will establish a Science and Technology Innovation Initiative to accelerate the integration of science and technology (S&T) throughout its activities.” Executing this strategy necessitates the continued emphasis on developing and sustaining high-quality scientific and engineering staff, as well as supporting computational and experimental capabilities. These components constitute the foundation of the nuclear weapons program. The continued success of the SSP and LEPs is predicated upon the ability to credibly certify the stockpile, without a return to underground nuclear tests (UGTs). Shortly after the nuclear test moratorium entered into force in 1992, the Accelerated Strategic Computing Initiative (ASCI) was established to provide an extensive simulation capability to underpin stockpile certification. While computing and simulation have always been essential to the success of the nuclear weapons program, the program goal of ASCI was to execute NNSA’s vision of using these tools in support of the stockpile stewardship mission. The ASCI program was essential to the successful demonstration of the SSP, providing critical nuclear weapons simulation and modeling capabilities. ASCI officially evolved into the ASC program in fiscal year (FY) 2005, but the mission remains essentially the same: provide the simulation and computational capabilities that underpin the ability to maintain a safe, secure, effective nuclear weapon stockpile, without returning to underground nuclear testing. The capabilities that the ASC program provides at the national laboratories play a vital role in the nuclear security enterprise and are necessary for fulfilling the stockpile stewardship and life extension requirements outlined for NNSA. The Program develops modern simulation tools that provide insights into stockpile aging issues, provide the computational and simulation tools that enable designers and analysts to certify the current stockpile and life-extended nuclear weapons, and inform the decision-making process when any modifications in nuclear warheads or the associated manufacturing processes are deemed necessary. Furthermore, ASC is enhancing the predictive simulation capabilities that are essential to evaluate weapons effects, design experiments, and ensure test readiness. The ASC program continues to improve its unique tools to solve stockpile problems— with a focus on sufficient resolution, dimensionality, and scientific detail—to enable Quantification of Margins and Uncertainties (QMU) and to resolve the increasingly difficult analyses needed for stockpile stewardship. The needs of the Stockpile Management and Production Modernization programs (formerly Directed Stockpile Work) also drive the requirements for simulation and computational resources. These requirements include planned LEPs, stockpile support activities, and mitigation efforts against the potential for technical surprise. All of the weapons within the current stockpile are in some stage of the life extension process. The simulation and computational capabilities are crucial for successful execution of these life extensions and for ensuring NNSA can certify these life-extended weapons without conducting a UGT.

97 MATHEMATICS AND COMPUTING↗