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Exploring the use of novel programming models in land surface models

A wide range of programming models are currently under rapid development to meet the needs of application developers looking to work on more complex machines. These models fill a variety of roles. Some look to abstract supercomputer architecture, including both processors and memory, to present a strategy for portable performance across a wide range of machines. Others look to expose concurrency by explicitly constructing task-driven dependency graphs that allow a scheduler to find parallelism. Here we explore the implications for application codes of adopting two such programming models, Kokkos and Legion, one from each class of models. We specifically focus on the software design implications on refactoring existing applications, rather than the performance and performance tuning of these models. We identify a strategy for refactoring the Energy Exascale Earth System Model's Land Surface Model, an extremely complex code for climate applications, and prototype a series of mini-apps that explore the adoption of Kokkos and Legion. In doing this, we identify commonalities across the models, leading to a series of conclusions about application software design and refactoring for the adoption of novel programming models.

Coon, Ethan↗

U.S. Department of Energy Free-Air CO 2 Enrichment Experiments: FACE Results, Lessons, and Legacy

In the 1970s, growing concern about potential long-range consequences of carbon dioxide (CO 2 ) emissions from the combustion of fossil fuels prompted the U.S. Department of Energy (DOE) to begin developing a CO 2 research program. The goal was to obtain the scientific information needed to reduce uncertainty and develop a knowledgebase for decision-making. At its start in 1980, this program had three components: the global carbon cycle, climate effects, and vegetation effects. The vegetation effects component recognized that increased atmospheric CO 2 could be a potential benefit to vegetation and crops because CO 2 is an essential resource for plant growth. In addition to increasing crop yield, program developers and researchers recognized that this fertilizer effect could also result in greater storage of fossil fuel CO 2 by forests. Initial experiments were small in scale and scope and focused on the photosynthesis, physiology, and water use of crop plants, but the focus shifted toward responses of plants in natural systems, as needed for connections to the global carbon cycle. Program research investigated CO 2 interactions with other environmental variables, emphasizing field research whenever possible and recognizing that exposure to elevated CO 2 concentrations under realistic field conditions should lead to better predictions of plant response. Whole-ecosystem field experiments were instituted in low-stature ecosystems, but experiments to address forest responses necessarily relied on tree seedlings or saplings in open-top chambers (OTCs) and not within intact forest ecosystems. The need for larger-scale, longer-duration experiments in each of the world’s six major biomes (tundra, boreal forest, temperate forest, tropical forest, grassland, and desert) became clear, and for these experiments, free-air CO 2 exposure facilities were necessary. This report summarizes the objectives and main results of DOE-sponsored experiments employing such facilities, along with the outcomes from research on ecosystem responses using field chambers (see Fig. ES.1, p. x). Additionally, this report highlights the many successes of DOE CO 2 enrichment studies and considers the lessons learned that can be used to guide future initiatives.

54 ENVIRONMENTAL SCIENCES↗

Prenatal ethanol exposure-induced adrenal developmental abnormality of male offspring rats and its possible intrauterine programming mechanisms

Fetal adrenal developmental status is the major determinant of fetal tissue maturation and offspring growth. We have previously proposed that prenatal ethanol exposure (PEE) suppresses fetal adrenal corticosterone (CORT) synthesis. Here, we focused on PEE-induced adrenal developmental abnormalities of male offspring rats before and after birth, and aimed to explore its intrauterine programming mechanisms. A rat model of intrauterine growth retardation (IUGR) was established by PEE (4 g/kg·d). In PEE fetus, increased serum CORT concentration and decreased insulin-like growth factor 1 (IGF1) concentration, with lower bodyweight and structural abnormalities as well as a decreased Ki67 expression (proliferative marker), were observed in the male fetal adrenal cortex. Adrenal glucocorticoid (GC)-metabolic activation system was enhanced while gene expression of IGF1 signaling pathway with steroidogenic acute regulatory protein (StAR), 3β-hydroxysteroid dehydrogenase (3β-HSD) was decreased. Furthermore, in the male adult offspring of PEE, serum CORT level was decreased but IGF1 was increased with partial catch-up growth, and Ki67 expression demonstrated no obvious change. Adrenal GC-metabolic activation system was inhibited, while IGF1 signaling pathway and 3β-HSD was enhanced with the steroidogenic factor 1 (SF1), and StAR was down-regulated in the adult adrenal. Based on these findings, we propose a “two-programming” mechanism for PEE-induced adrenal developmental toxicity: “the first programming” is a lower functional programming of adrenal steroidogenesis, and “the second programming” is GC-metabolic activation system-related GC-IGF1 axis programming. - Highlights: • Prenatal ethanol exposure induces adrenal developmental abnormality in offspring rats. • Prenatal ethanol exposure induces intrauterine programming of adrenal steroidogenesis. • Intrauterine GC-IGF1 axis programming might mediate adrenal developmental abnormality.

60 APPLIED LIFE SCIENCES↗

DUNE Software and Computing Research and Development

The international collaboration designing and constructing the Deep Underground Neutrino Experiment (DUNE) at the Long-Baseline Neutrino Facility (LBNF) has developed a two-phase strategy toward the implementation of this leading-edge, large-scale science project. The ambitious physics program of Phase I and Phase II of DUNE is dependent upon deployment and utilization of significant computing resources, and successful research and development of software (both infrastructure and algorithmic) in order to achieve these scientific goals. This submission discusses the computing resources projections, infrastructure support, and software development needed for DUNE during the coming decades as an input to the European Strategy for Particle Physics Update for 2026. The DUNE collaboration is submitting four main contributions to the 2026 Update of the European Strategy for Particle Physics process. This submission to the 'Computing' stream focuses on DUNE software and computing. Additional inputs related to the DUNE science program, DUNE detector technologies and R&D, and European contributions to Fermilab accelerator upgrades and facilities for the DUNE experiment, are also being submitted to other streams.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Advanced Simulation and Computing FY12-13 Implementation Plan, Volume 2, Revision 0.5

The Stockpile Stewardship Program (SSP) is a single, highly integrated technical program for maintaining the surety and reliability of the U.S. nuclear stockpile. The SSP uses nuclear test data, computational modeling and simulation, and experimental facilities to advance understanding of nuclear weapons. It includes stockpile surveillance, experimental research, development and engineering (D&E) programs, and an appropriately scaled production capability to support stockpile requirements. This integrated national program requires the continued use of experimental facilities and programs, and the computational enhancements to support these programs. The Advanced Simulation and Computing Program (ASC) is a cornerstone of the SSP, providing simulation capabilities and computational resources that support annual stockpile assessment and certification, 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 requires a balanced resource, including technical staff, hardware, simulation software, and computer science solutions. In its first decade, the ASC strategy focused on demonstrating simulation capabilities of unprecedented scale in three spatial dimensions. In its second decade, ASC is now focused on increasing predictive capabilities in a three-dimensional (3D) simulation environment while maintaining support to the SSP. The program continues to improve its unique tools for solving progressively more difficult stockpile problems (sufficient resolution, dimensionality, and scientific details), quantify critical margins and uncertainties, and resolve increasingly difficult analyses needed for the SSP. Moreover, ASC’s business model is integrated and focused on requirements-driven products that address long-standing technical questions related to enhanced predictive capability in the simulation tools.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Advanced Simulation and Computing Fiscal Year 14 Implementation Plan, Rev. 0.5

The Stockpile Stewardship Program (SSP) is a single, highly integrated technical program for maintaining the surety and reliability of the U.S. nuclear stockpile. The SSP uses nuclear test data, computational modeling and simulation, and experimental facilities to advance understanding of nuclear weapons. It includes stockpile surveillance, experimental research, development and engineering programs, and an appropriately scaled production capability to support stockpile requirements. This integrated national program requires the continued use of experimental facilities and programs, and the computational enhancements to support these programs. The Advanced Simulation and Computing Program (ASC) is a cornerstone of the SSP, providing simulation capabilities and computational resources that support annual stockpile assessment and certification, 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 requires a balanced resource, including technical staff, hardware, simulation software, and computer science solutions. In its first decade, the ASC strategy focused on demonstrating simulation capabilities of unprecedented scale in three spatial dimensions. In its second decade, ASC is now focused on increasing predictive capabilities in a three-dimensional (3D) simulation environment while maintaining support to the SSP. The program continues to improve its unique tools for solving progressively more difficult stockpile problems (sufficient resolution, dimensionality, and scientific details), quantify critical margins and uncertainties, and resolve increasingly difficult analyses needed for the SSP. Moreover, ASC’s business model is integrated and focused on requirements-driven products that address long-standing technical questions related to enhanced predictive capability in the simulation tools.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

The pNab experiment and the quest for ever better neutron beam polarization

The Nab and pNAB collaborations are conducting a program of studies of free neutron beta decay, with the primary goal of testing the unitarity of the Cabbibo-Kobayashi-Maskawa matrix that describes quark mixing due to the weak interaction. For this purpose, a large, novel electromagnetic spectrometer, the Nab spectrometer, has been designed, built, and placed in use to determine the correlation coefficients in unpolarized neutron beta decay: "a", the neutrino-electron correlation coefficient; and "b", the Fierz term. The subject of this paper is pNAB, the second phase of the program, that will deploy the same spectrometer with a polarized neutron beam to determine "A", the beta asymmetry; and "B", the neutrino asymmetry coefficients. A focus of this paper will be on the strategies to provide a high and precisely known neutron beam polarization.

Baessler, Stefan↗

Strengthening Retrofit Markets for Comprehensive Savings in Multifamily Buildings (Interim Final Report)

Energy efficiency is vitally important in Maine. Nearly 70% of Maine households rely on fuel oil as their primary energy source for home heating, a higher share than in any other state. Coupled with the state's long, cold winters, Maine's dependence on oil renders homeowners particularly vulnerable to fluctuating fuel costs. With $\$$4.5 million in seed funding from the Energy Department's Better Buildings Neighborhood Program, the Governor's Energy Office (GEO), through Efficiency Maine Trust (the Trust), is spurring Maine landlords to lower their monthly energy bills and improve comfort for their tenants during the state's cold winter months and increasingly warmer summers. Maine's aging multifamily housing stock can be expensive to heat and costly to maintain. It is not unusual to find buildings with little or no insulation, drafty windows, and significant air leaks, making them ideal candidates for energy efficiency upgrades. Maine modeled its Multifamily Efficiency Program (MEP) after the state's highly successful Home Energy Savings Program (HESP) for single-family homes. HESP provided cash incentives and financing opportunities to owners of one-to four-unit structures, which resulted in thousands of energy assessments and whole-house energy upgrades in 225 communities. Maine's new MEP multifamily energy efficiency upgrade and weatherization initiative focuses on small to medium-sized (i.e., five to 20 units) apartment buildings. The program's energy efficiency upgrades will provide at least 20% energy savings for each upgraded multifamily unit. The Trust’s MEP relies on a network of approved program partners who help move projects through the pipeline from assessment to upgrade. MEP has two components: benchmarking and development of an Energy Reduction Plan (ERP). Using the ENERGY STAR® Portfolio Manager benchmarking tool, MEP provides an assessment of current energy usage in the building, establishes a baseline for future energy efficiency improvements, and enables tracking and monitoring of future energy usage at the building— all at no cost to the building owner. The ERP is developed by a program partner using either the Trust’s approved modeling or prescriptive tools; it provides detailed information about the current energy related conditions in the building and recommends energy efficiency, health, and safety improvements. The Trust's delivery contractor provides quality assurance and controls throughout the process. Through this effort, MEP's goal is to establish a self-sustaining, market-driven program, demonstrating the value of energy efficiency to other building owners. The increasing value of properties across the state will help incentivize these owners to continue upgrades after the grant period has ended. Targeting urban areas in Maine with dense clusters of multifamily units—such as Portland, Lewiston- Auburn, Bangor, and Augusta—MEP engaged a variety of stakeholder groups early on to design its multifamily program. Through direct emails and its website, program officials invited lending institutions, building professionals, engineering firms, equipment distributors, and local property owners associations to attend open meetings around the state to learn about the goals of the multifamily program and to help define its parameters. These meetings helped program administrators understand the diversity of the customer base: some owners are individuals with a single building, while other owners are groups of people or management companies with an entire portfolio of multifamily buildings. The diversity of the customer base notwithstanding, owners see MEP as an opportunity to make gains in their respective properties. Consistently high turnouts at stakeholder meetings fueled greater customer interest as awareness of the program spread through word of mouth. The program also gained traction by utilizing the program partner networks and building on the legacy of the Trust’s successful HESP for single-family residences. MEP offers significant incentives for building owners to participate in the upgrade program. Wholebuilding benchmarking services are available to most multifamily housing buildings free of charge. The service provides the building owner with an assessment of the building's current energy efficiency as compared to other multifamily buildings on a national scale, establishes a baseline to measure future improvements, and enables owners to track monthly energy consumption using the ENERGY STAR Portfolio Manager. Once the benchmarking process is complete, the program links building owners with approved program partners (e.g., energy professionals, home performance contractors) to identify and implement specific energy-saving opportunities in the building. Program partners can also provide project quotes with estimated financing incentives and payback period calculations that enable building owners to make informed decisions. What's more, the Trust provides two financial incentives for successful completion of program milestones. The first is a per-unit incentive for completion of an approved ERP (i.e., $\$$100 per unit if a prescriptive path is followed, and $\$$200 per unit for a modeled ERP). Upon final inspection of the installed project scope of work, an incentive of $\$$1,400 per unit or 50% of installed cost—whichever is less—is paid. The Trust originally established a $\$$1 million loan-loss reserve fund (LLRF) to further enhance financing opportunities for qualified multifamily building owners. This funding mechanism was designed to connect building owners with lenders that retain the mortgages for their properties and encourages the lenders to offer financing for energy efficiency improvements. However, there has been no interest in the LLRF and therefore the LLRF has been reduced. Ultimately, MEP plans to build an online tool for building owners to assess opportunities to make upgrades in their multifamily units. The tool will include a performance rating system to provide a way for building owners to more easily understand energy use in their building, and how it could be improved with energy efficiency upgrades. Prospective tenants will also be able to use the rating system to make informed decisions about where to rent. Furthermore, the rating can be incorporated into real estate listings as a way for prospective home buyers and the real estate financial community to evaluate a home's operating costs. The Trust’s MEP has identified the state's most experienced energy professionals, vendors, suppliers, and contractors that install energy efficiency equipment in the multifamily sector to be qualified program partners. To be eligible for partnership, energy assessment professionals and contractors are required to have demonstrated experience in the multifamily sector and hold associated professional certifications, such as Building Operator Certification (BOC), Certified Energy Manager (CEM), Professional Engineer (PE), or Building Performance Institute (BPI) Multifamily Building Analyst. Widespread program interest has enabled the Trust to redirect funds that might otherwise be needed for program promotion to building capacity through contractor training. In addition to boosting professional training and certification opportunities, MEP teaches its partners how to market the multifamily program to prospective multifamily homeowners.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Fusion Safety Program Peer Review (August 31 and September 1, 1999) [Slides]

The Fusion Safety Program Peer Review conference, held on August 31 and September 1, 1999, focuses on advancing the understanding and management of radioactive and hazardous materials within deuterium-tritium (D-T) fusion machines. The conference aims to investigate the behavior of significant sources of radioactive materials, such as activation products, dust, tritium, and beryllium. Additionally, it seeks to comprehend how various energy sources in fusion facilities—such as magnets, plasma, decay heat, and chemical reactions—can mobilize these materials. A key objective of the conference is to develop integrated, state-of-the-art analytic tools to demonstrate the safety and environmental potential of fusion technology. Furthermore, the conference assesses and evaluates safety and environmental issues associated with emerging fusion concepts, including those in the ARIES, ALPS, APEX, and IFE projects. This comprehensive approach aims to ensure the safe and sustainable advancement of fusion energy.

70 - PLASMA PHYSICS AND FUSION TECHNOLOGY↗

UC Davis Fuel Cell, Hydrogen, and Hybrid Vehicle (FCH2V) GATE Center of Excellence

This is the final report of the UC Davis Fuel Cell, Hydrogen, and Hybrid Vehicle (FCH2V) GATE Center of Excellence which spanned from 2005-2012. The U.S. Department of Energy (DOE) established the Graduate Automotive Technology Education (GATE) Program, to provide a new generation of engineers and scientists with knowledge and skills to create advanced automotive technologies. The UC Davis Fuel Cell, Hydrogen, and Hybrid Vehicle (FCH2V) GATE Center of Excellence established in 2005 is focused on research, education, industrial collaboration and outreach within automotive technology. UC Davis has had two independent GATE centers with separate well-defined objectives and research programs from 1998. The Fuel Cell Center, administered by ITS-Davis, has focused on fuel cell technology. The Hybrid-Electric Vehicle Design Center (HEV Center), administered by the Department of Mechanical and Aeronautical Engineering, has focused on the development of plug-in hybrid technology using internal combustion engines. The merger of these two centers in 2005 has broadened the scope of research and lead to higher visibility of the activity. UC Davis's existing GATE centers have become the campus's research focal points on fuel cells and hybrid-electric vehicles, and the home for graduate students who are studying advanced automotive technologies. The centers have been highly successful in attracting, training, and placing top-notch students into fuel cell and hybrid programs in both industry and government.

30 DIRECT ENERGY CONVERSION↗

Technology and Innovation Roadmap

This Technology and Innovation Roadmap outlines the Hanford Tank Waste Operations & Closure, LLC (H2C) strategic approach for advancing the Hanford Tank Waste Treatment Mission (HTWTM) through technology development. Our focus is on addressing technology needs that address risks, enhance efficiency, ensure worker safety, and uphold environmental standards. This Roadmap identifies key technology initiatives essential for the successful completion of the Hanford Site tank waste cleanup. Updated annually, it incorporates insights from the U.S. Department of Energy (DOE), the Integrated Tank Disposition Contractor (ITDC) H2C, recognized national lab experts, and fieldwork specialists. The Roadmap includes approximately 100 technology elements, each detailed in Technology Element Description Summaries (TEDS) and summarized in catalog sheets. These elements are crucial for aligning technology development activities with mission objectives across the HTWTM. With the initiation of the Direct-Feed Low-Activity Waste (DFLAW) program and the operation of the Tank Side Cesium Removal (TSCR) system, our focus now shifts to the support of scaled up production in East Area; applying similar and exploring new treatment alternatives to West Area Tank Waste; and advancing retrieval, delivery and treatment technologies for waste managed as high-level waste (HLW) across the Hanford tank farms. This transition is reflected in the technology and maturation (TM&E) charts, which highlight the evolving technology priorities. This document serves as a guide for navigating the challenges and opportunities in technology development at the Hanford Site.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

CRADA Number NFE-18-07325 with TCPoly, Inc. (CRADA Final Report)

TCPoly is commercializing high performance composite materials for the 3D printing industry and the company focus is manufacturing high thermal conductivity plastics for 3D printing of heat exchangers, electronic cooling devices, and mold tooling. Through the Innovation Crossroads Program, I was able to collaborate with ORNL researchers to expand the company’s technology offering and revamp the company’s business model and focus.

36 MATERIALS SCIENCE↗

State Indicators for Advancing Demand Flexibility and Energy Efficiency in Buildings - Part I [Slides]

This slide deck report identifies objectives and key indicators for state activities that advance demand flexibility in buildings — legislation, utility regulatory proceedings, executive orders and programs. It also illustrates progress to date and identifies trends, gaps, and opportunities. Part I of the report focuses on (1) demand response and (2) energy efficiency targeted to reduce peak demand or integrate with demand response. This section covers building energy codes, appliance and equipment standards, resource standards, utility planning, utility programs, advanced metering infrastructure and meter data, rate design, state programs, state energy planning, and related state policies and regulations. Part II of the report addresses traditional energy efficiency indicators, including utility and state programs, codes, and standards that support annual energy savings. See the additional links for an infographic, library of cited state documents on demand flexibility, and presentation to the NASEO-NARUC Grid-Interactive Efficient Buildings Working Group.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Nucleon Structure Studies at Jefferson Lab and the Electron Ion Collider

The research programs of Thomas Jefferson Laboratory (JLab) and the future Electron- Ion Collider (EIC) focus on one of the main goals of strong interaction studies : understanding the structure of nucleons in terms of the quarks and gluons composing them. Their structure is encoded in functions such as Generalized Parton Distributions (GPDs), which describe how quarks and gluons’ transverse position and longitudinal momentum are distributed inside nucleons. GPDs allow to obtain three-dimensional pictures of nucleons and to understand some of their fundamental properties, such as their internal pressure or the emergence of their spin from the dynamics of the partons composing them. At JLab and the EIC, electron beams are used to probe nucleons. Measurement of reactions such as Deeply Virtual Compton Scattering (DVCS) allows access to GPDs. The first longitudinally polarized-target experiment of the CLAS12 program at Jlab took place in 2022-2023. Combining polarized electron beams and nucleon targets, this experiment offers unique access to observables that allow the measurement of different types of GPDs. In particular, the DVCS beam- and target-spin asymmetries for protons and neutrons in deuterium will be measured for the first time. They give access to kinds of GPDs that are still poorly known, and the comparison between proton and neutron data will allow the extraction of the flavor dependence of the structure of nucleons. Specific analysis methods have been implemented to work with a polarized nuclear target and are presented in this thesis. These methods allow to obtain preliminary results for the asymmetries, waiting for the complete statistics to be available. In the long term, the experimental program for the EIC has been established with a strong emphasis on the measurement of the structure of nucleons at high energy. Measurements of reactions such as DVCS impose strict requirements on the electromagnetic calorimeter that will allow to measure the energy of the scattered electrons and photons. This calorimeter, which is under development, will be based on scintillating crystals read by Silicon Photomultipliers (SiPMs). A new type of glass-based scintillating material was tested, evaluating the possibilities to meet the technical requirements concerning their light yield and resistance to radiation damage in particular. Several models of SiPMs have been characterized, demonstrating they can operate over the vast energy range necessary to address the physics case at the EIC and providing guidelines for developing their readout electronics.

Pilleux, Noemie↗

Summary of BISON Milestones: NEAMS FY2020 Report

This summary report contains an overview of work performed under the work package entitled "FY2020 NEAMS Advanced Fuels Performance'', which is focused on the development and support of the fuel performance code BISON. The second chapter lists FY20 milestones titles, completion schedule, and milestone level. Subsequent chapters summarize and demonstrate completion of the milestones. The last chapter outlines FY21 proposed future work. In FY20, the NEAMS program emphasized development of BISON for its application to advanced reactors. While there are a variety of advanced fuel concepts, based on interaction with industry and the Nuclear Regulatory Commission, the fuel types we chose to develop were metallic fast reactor, UN/UC and particle fuels. The last chapter of this report documents proposed work for FY21. We plan to continue work on metallic and particle fuel in terms of developing/calibrating models and to begin rigorous validation/assessment for both fuel types. Due to the merger of the NEAMS and CASL programs, FY21 will see a return to light water reactor model development and simulation; this time focused on advanced technology fuels. Additionally, we seek to improve BISON, fundamentally. As such, we plan improvements to BISON and MOOSE in terms of algorithmic robustness, performance, ease-of-use, and quality assurance.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Foundations for Engineering Education for Distributed Energy Resources (FEEDER)

Foundations for Engineering Education for Distributed Energy Resources (FEEDER), as one of the four Distributed Technology Training Consortia (DTTCs) of the Grid Engineering for Accelerated Renewable Energy Deployment (GEARED) National Network, provided programs to meet the project goals, and works closely with the GEARED National Network Administrator (NNA) to foster student competence and career interest in advanced engineering and professional skills that support a robust electrical utility sector. This educational effort also included annual gatherings to share best practices and specific advances in knowledge, instructional best practice and educational integration throughout disciplines supporting power systems analysis and integration of distributed generation, with a focus on renewable energy. This effort aligned with the goals and objectives of the Department of Energy SunShot initiative. The project goals included the creation of a larger skilled electric grid workforce that is able to manage widespread deployment of distributed energy resources by developing and sharing new courses and curricula across the participating FEEDER institutions. FEEDER was expanded to add four institutions under the Solar Training & Education for Professionals (STEP) program, with the title Strategic Expansion to Achieve GEARED Goals and award number DE- EE0007327. Program components were selected based on gap analysis and advices of FEEDER industry advisory board, with a focus on student participation in power programs, research and formative experiences that led them to successful careers in power-related industries.

14 SOLAR ENERGY↗

The MoSeS dynamic omnigami paradigm for smart shape and composition programmable 2D materials

The properties of 2D materials can be broadly tuned through alloying and phase and strain engineering. Shape programmable materials offer tremendous functionality, but sub-micron objects are typically unachievable with conventional thin films. Here we propose a new approach, combining phase/strain engineering with shape programming, to form 3D objects by patterned alloying of 2D transition metal dichalcogenide (TMD) monolayers. Conjugately, monolayers can be compositionally patterned using non-flat substrates. For concreteness, we focus on the TMD alloy MoSe 2c S 2 (1–c) ; i.e., MoSeS. These 2D materials down-scale shape/composition programming to nanoscale objects/patterns, provide control of both bending and stretching deformations, are reversibly actuatable with electric fields, and possess the extraordinary and diverse properties of TMDs. Utilizing a first principles-informed continuum model, we demonstrate how a variety of shapes/composition patterns can be programmed and reversibly modulated across length scales. Furthermore, the vast space of possible designs and scales enables novel material properties and thus new applications spanning flexible electronics/optics, catalysis, responsive coatings, and soft robotics.

36 MATERIALS SCIENCE↗

Advanced Simulation and Computing FY17 Implementation Plan, Version 0

The Stockpile Stewardship Program (SSP) is an integrated technical program for maintaining the safety, surety, and reliability of the U.S. nuclear stockpile. The SSP uses nuclear test data, computational modeling and simulation, and experimental facilities to advance understanding of nuclear weapons. It includes stockpile surveillance, experimental research, development and engineering programs, and an appropriately scaled production capability to support stockpile requirements. This integrated national program requires the continued use of experimental facilities and programs, and the computational capabilities to support these programs. The Advanced Simulation and Computing Program (ASC) is a cornerstone of the SSP, providing simulation capabilities and computational resources that support annual stockpile assessment and certification, 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 requires a balance of resource, including technical staff, hardware, simulation software, and computer science solutions. ASC is now focused on increasing predictive capabilities in a three-dimensional (3D) simulation environment while maintaining support to the SSP. The program continues to improve its unique tools for 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 away from the original test base. 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 counter nuclear terrorism.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗