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Active Debris Removal - A Grand Engineering Challenge for the Twenty-First Century

The collision between Iridium 33 and Cosmos 2251 in 2009 underlined the potential of an ongoing collision cascade effect (the Kessler Syndrome ) in the near-Earth orbital debris environment. A 2006 NASA analysis of the instability of the debris population in the low Earth orbit (LEO, the region below 2000 km altitude) shows that the environment has reached a point where the debris population will continue to increase in the next 200 years, even without any future launches. The increase is driven by fragments generated via collisions among existing objects in LEO. In reality, the situation will be worse than this prediction because satellite launches will continue and unexpected major breakups may continue to occur. Mitigation measures commonly adopted by the international space community (such as the 25-year rule) will help, but will be insufficient to stop the population growth. To better preserve the near-Earth space environment for future generations, active debris removal (ADR) should be considered. The idea of active debris removal is not new. However, due to the monumental technical, resource, operational, legal, and political challenges associated with removing objects from orbit, it has not yet been widely considered feasible. The recent major breakup events and the environment modeling efforts have certainly reignited the interest in using active debris removal to remediate the environment. This trend is further highlighted by the National Space Policy of the United States of America, released by the White House in June 2010, where the President explicitly directs NASA and the Department of Defense to pursue research and development of technology and techniques, to mitigate and remove on-orbit debris, reduce hazards, and increase understanding of the current and future debris environment. A 2009 modeling study by the NASA Orbital Debris Program Office has shown that, in order to maintain the LEO debris population at a constant level for the next 200 years, an active debris removal of about five objects per year is needed. The targets identified for removal are those with the highest mass and collision probability products. Analyses from the study indicate that the majority of those objects are spent upper stages with masses ranging from 1 to more than 8 metric tons, residing in several altitude regions and concentrated in about 10 inclination bands. To remove five of those objects per year in a cost-effective manner truly represents a grand challenge in engineering and technology development. An end-to-end debris removal operation includes, in general terms, launches orbit rendezvous, precision tracking, stabilization (of the tumbling motion), capture, and deorbit of the targets. An ADR system deigned to remove a single object is not very cost-effective. Therefore, the repeatability of the removal system is almost a requirement. Some of the technologies involved in the ADR process do exist, but the difficulty is to make them more cost effective. Other technologies, such as ways to stabilize a massive tumbling upper stage and the capture mechanisms, are new and will require major innovative research and development efforts. This paper summarizes an updated assessment of the environment, including what needs to be done to control the population growth, and outlines the major engineering and technology challenges to carry out active debris removal to preserve the environment.

Liou, Jer-Chyi↗

The SGI/CRAY T3E: Experiences and Insights

The focus of the HPCC Earth and Space Sciences (ESS) Project is capability computing - pushing highly scalable computing testbeds to their performance limits. The drivers of this focus are the Grand Challenge problems in Earth and space science: those that could not be addressed in a capacity computing environment where large jobs must continually compete for resources. These Grand Challenge codes require a high degree of communication, large memory, and very large I/O (throughout the duration of the processing, not just in loading initial conditions and saving final results). This set of parameters led to the selection of an SGI/Cray T3E as the current ESS Computing Testbed. The T3E at the Goddard Space Flight Center is a unique computational resource within NASA. As such, it must be managed to effectively support the diverse research efforts across the NASA research community yet still enable the ESS Grand Challenge Investigator teams to achieve their performance milestones, for which the system was intended. To date, all Grand Challenge Investigator teams have achieved the 10 GFLOPS milestone, eight of nine have achieved the 50 GFLOPS milestone, and three have achieved the 100 GFLOPS milestone. In addition, many technical papers have been published highlighting results achieved on the NASA T3E, including some at this Workshop. The successes enabled by the NASA T3E computing environment are best illustrated by the 512 PE upgrade funded by the NASA Earth Science Enterprise earlier this year. Never before has an HPCC computing testbed been so well received by the general NASA science community that it was deemed critical to the success of a core NASA science effort. NASA looks forward to many more success stories before the conclusion of the NASA-SGI/Cray cooperative agreement in June 1999.

Bernard, Lisa Hamet↗

Sustainable Aviation Fuel (SAF) State-of-Industry Report: State of SAF Production Process

GHG emissions related to commercial air travel were already significant, at 10% of the domestic transportation emissions and 3% of the global greenhouse gas emissions prior to the pandemic, and are expected to double by 2050, even with modest projected growth in air travel. Since Sustainable Aviation Fuel (SAF) is the only way that medium to long haul commercial aviation can be decarbonized, a US government wide "SAF Grand Challenge" was issued to encourage industry to develop capabilities to produce SAF, to reduce cost, improve sustainability, build value chains, and to scale production capabilities (1). The targets are to expand current domestic SAF 2022 production by 200X to 3 billion gallons per year by 2030, and then further by 12X to 35 billion gallons by 2050, while achieving life cycle GHG reduction of 50% relative to fossil Jet A. Following the SAF Grand Challenge, the DOE, USDA, EPA and FAA collaboratively developed a comprehensive strategy, outlined in the "SAF Grand Challenge Roadmap" (2), to inform stakeholders of the actions necessary to achieve the above volumetric targets. The purpose of this study is to provide an assessment of the current state of the SAF production industry and identify challenges and hurdles that industry may face in delivering the 2030 goals. This assessment is for the potential feedstocks and conversion pathways expected to contribute to 2030 goals and will generally follow action areas in the SAF Grand Challenge: feedstocks, conversion technology, supply chain, and policy & valuation.

09 BIOMASS FUELS↗

Annual Scientific Focus Area Report for the Energy Exascale Earth System Model Project: Phase II

The project's long-term goal is to assert and maintain an international scientific leadership position in the development of Earth system models that address the grand challenge of actionable predictions of Earth system variability and change, with an emphasis on the most critical scientific questions facing the nation and DOE. The grand challenge will be addressed by overcoming three major limitations: Pushing the high-resolution frontier of Earth system modeling through a combination of strategic model development and computational advances targeting exascale computers and beyond. Bridging the gap in scales and processes by developing a new class of models that couple the natural, managed, and man-made systems across scales to address energy sector vulnerability to variability and change. The project will achieve its goal through four intersecting project elements: A series of prediction and simulation experiments addressing scientific questions and mission needs; A well-documented and tested, continuously advancing, evolving, and improving system of model codes that comprise the E3SM Earth system model; The ability to use effectively leading (and “bleeding”) edge computational facilities soon after their deployment at DOE national laboratories; and An infrastructure to support code development, hypothesis testing, simulation execution, and analysis of results. To achieve the Grand Challenge of actionable Earth system predictions to address the most critical scientific questions facing our nation and DOE, the E3SM project defined its strategy in a fifteen-year roadmap with four intersecting project elements: A series of prediction and simulation experiments addressing scientific questions and mission needs; A well-documented and tested, continuously advancing, evolving, and improving system of model codes that comprise the E3SM Earth system model ; The ability to use effectively leading (and “bleeding”) edge computational facilities soon after their deployment at DOE national laboratories; and An infrastructure to support code development, hypothesis testing, simulation execution, and analysis of results. Figure 1 depicts the E3SM Project Roadmap, showing the relationships among the first three major project elements: the simulations, the modeling system to perform those simulations, and the machines on which they will be executed. Unlike the other three elements that have distinct but overlapping phases, the fourth element, the infrastructure, will evolve continuously based on the requirements imposed by project needs.

54 ENVIRONMENTAL SCIENCES↗

The U.S. CMS HL-LHC R&D Strategic Plan

The HL-LHC run is anticipated to start at the end of this decade and will pose a significant challenge for the scale of the HEP software and computing infrastructure. The mission of the U.S. CMS Software & Computing Operations Program is to develop and operate the software and computing resources necessary to process CMS data expeditiously and to enable U.S. physicists to fully participate in the physics of CMS. We have developed a strategic plan to prioritize R&D efforts to reach this goal for the HL-LHC. This plan includes four grand challenges: modernizing physics software and improving algorithms, building infrastructure for exabyte-scale datasets, transforming the scientific data analysis process and transitioning from R&D to operations. We are involved in a variety of R&D projects that fall within these grand challenges. In this talk, we will introduce our four grand challenges and outline the R&D program of the U.S. CMS Software & Computing Operations Program.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

The Asteroid Impact and Deflection Assessment Mission and its Potential Contributions to Human Exploration of Asteroids

The joint ESA and NASA Asteroid Impact and Deflection Assessment (AIDA) mission will directly address aspects of NASA's Asteroid Initiative and will contribute to future human exploration. The NASA Asteroid Initiative is comprised of two major components: the Grand Challenge and the Asteroid Mission. The first component, the Grand Challenge, focuses on protecting Earth's population from asteroid impacts by detecting potentially hazardous objects with enough warning time to either prevent them from impacting the planet, or to implement civil defense procedures. The Asteroid Mission, involves sending astronauts to study and sample a near-Earth asteroid (NEA) prior to conducting exploration missions of the Martian system, which includes Phobos and Deimos. AIDA's primary objective is to demonstrate a kinetic impact deflection and characterize the binary NEA Didymos. The science and technical data obtained from AIDA will aid in the planning of future human exploration missions to NEAs and other small bodies. The dual robotic missions of AIDA, ESA's Asteroid Impact Monitor (AIM) and NASA's Double Asteroid Redirection Test (DART), will provide a great deal of technical and engineering data on spacecraft operations for future human space exploration while conducting in-depth scientific examinations of the binary target Didymos both prior to and after the kinetic impact demonstration. The knowledge gained from this mission will help identify asteroidal physical properties in order to maximize operational efficiency and reduce mission risk for future small body missions. The AIDA data will help fill crucial strategic knowledge gaps concerning asteroid physical characteristics that are relevant for human exploration considerations at similar small body destinations.

Abell, Paul A.↗

Robotic Reconnaissance Missions to Small Bodies and Their Potential Contributions to Human Exploration

Introduction: Robotic reconnaissance missions to small bodies will directly address aspects of NASA's Asteroid Initiative and will contribute to future human exploration. The NASA Asteroid Initiative is comprised of two major components: the Grand Challenge and the Asteroid Mission. The first component, the Grand Challenge, focuses on protecting Earth's population from asteroid impacts by detecting potentially hazardous objects with enough warning time to either prevent them from impacting the planet, or to implement civil defense procedures. The Asteroid Mission involves sending astronauts to study and sample a near- Earth asteroid (NEA) prior to conducting exploration missions of the Martian system, which includes Phobos and Deimos. The science and technical data obtained from robotic precursor missions that investigate the surface and interior physical characteristics of an object will help identify the pertinent physical properties that will maximize operational efficiency and reduce mission risk for both robotic assets and crew operating in close proximity to, or at the surface of, a small body. These data will help fill crucial strategic knowledge gaps (SKGs) concerning asteroid physical characteristics that are relevant for human exploration considerations at similar small body destinations. Small Body Strategic Knowledge Gaps: For the past several years NASA has been interested in identifying the key SKGs related to future human destinations. These SKGs highlight the various unknowns and/or data gaps of targets that the science and engineering communities would like to have filled in prior to committing crews to explore the Solar System. An action team from the Small Bodies Assessment Group (SBAG) was formed specifically to identify the small body SKGs under the direction of the Human Exploration and Operations Missions Directorate (HEOMD), given NASA's recent interest in NEAs and the Martian moons as potential human destinations [1]. The action team organized the SKGs into four broad themes: 1) Identify human mission targets; 2) Understand how to work on and interact with the small body surface; 3) Understand the small body environment and its potential risk/benefit to crew, systems, and operational assets; and 4) Understand the small body resource potential. Each of these themes were then further subdivided into categories to address specific SKG issues. Robotic Precursor Contributions to SKGs: Robotic reconnaissance missions should be able to address specific aspects related to SKG themes 1 through 4. Theme 1 deals with the identification of human mission targets within the NEA population. The current guideline indicates that human missions to fastspinning, tumbling, or binary asteroids may be too risky to conduct successfully from an operational perspective. However, no spacecraft mission has been to any of these types of NEAs before. Theme 2 addresses the concerns about interacting on the small body surface under microgravity conditions, and how the surface and/or sub-surface properties affect or restrict the interaction for human exploration. The combination of remote sensing instruments and in situ payloads will provide good insight into the asteroid's surface and subsurface properties. SKG theme 3 deals with the environment in and around the small body that may present a nuisance or hazard to any assets operating in close proximity. Impact and surface experiments will help address issues related to particle size, particle longevity, internal structure, and the near-surface mechanical stability of the asteroid. Understanding or constraining these physical characteristics are important for mission planning. Theme 4 addresses the resource potential of the small body. This is a particularly important aspect of human exploration since the identification and utilization of resources is a key aspect for deep space mission architectures to the Martian system (i.e., Phobos and Deimos). Conclusions: Robotic reconnaissance of small bodies can provide a wealth of information relevant to the science and planetary defense of NEAs. However, such missions to investigate NEAs can also provide key insights into small body strategic knowledge gaps and contribute to the overall success for human exploration missions to asteroids.

Abell, P. A.↗

Robotic Missions to Small Bodies and Their Potential Contributions to Human Exploration and Planetary Defense

Introduction: Robotic missions to small bodies will directly address aspects of NASA's Asteroid Initiative and will contribute to future human exploration and planetary defense. The NASA Asteroid Initiative is comprised of two major components: the Grand Challenge and the Asteroid Mission. The first component, the Grand Challenge, focuses on protecting Earth's population from asteroid impacts by detecting potentially hazardous objects with enough warning time to either prevent them from impacting the planet, or to implement civil defense procedures. The Asteroid Mission involves sending astronauts to study and sample a near-Earth asteroid (NEA) prior to conducting exploration missions of the Martian system, which includes Phobos and Deimos. The science and technical data obtained from robotic precursor missions that investigate the surface and interior physical characteristics of an object will help identify the pertinent physical properties that will maximize operational efficiency and reduce mission risk for both robotic assets and crew operating in close proximity to, or at the surface of, a small body. These data will help fill crucial strategic knowledge gaps (SKGs) concerning asteroid physical characteristics that are relevant for human exploration considerations at similar small body destinations. These data can also be applied for gaining an understanding of pertinent small body physical characteristics that would also be beneficial for formulating future impact mitigation procedures. Small Body Strategic Knowledge Gaps: For the past several years NASA has been interested in identifying the key SKGs related to future human destinations. These SKGs highlight the various unknowns and/or data gaps of targets that the science and engineering communities would like to have filled in prior to committing crews to explore the Solar System. An action team from the Small Bodies Assessment Group (SBAG) was formed specifically to identify the small body SKGs under the direction of the Human Exploration and Operations Missions Directorate (HEOMD), given NASA's recent interest in NEAs and the Martian moons as potential human destinations. The action team organized the SKGs into four broad themes: 1) Identify human mission targets; 2) Understand how to work on and interact with the small body surface; 3) Understand the small body environment and its potential risk/benefit to crew, systems, and operational assets; and 4) Understand the small body resource potential. Of these four SKG themes, the first three have significant overlap with planetary defense considerations. The data obtained from investigations of small body physical characteristics under these three themes can be directly applicable to planetary defense initiatives. Conclusions: Missions to investigate small bodies can address small body strategic knowledge gaps and contribute to the overall success for human exploration missions to asteroids and the Martian moons. In addition, such reconnaissance of small bodies can also provide a wealth of information relevant to the science and planetary defense of NEAs.

Abell, Paul A.↗

Optimal Fragmentation and Dispersion of Hazardous Near-Earth Objects

The complex problem of protecting the Earth from the possibility of a catastrophic impact by a hazardous near-Earth object (NEO) has been recently reassessed in [1]. In a letter on NEOs from the White House Office of Science and Technology Policy (OSTP) to the U.S. Senate and Congress in 2010, the White House OSTP strongly recommended that NASA take the lead in conducting research activities for NEO detection, characterization, and deflection technologies. Furthermore, President Obama's new National Space Policy specifically directs NASA to "pursue capabilities, in cooperation with other departments, agencies, and commercial partners, to detect, track, catalog, and characterize NEOs to reduce the risk of harm to humans from an unexpected impact on our planet." The Planetary Defense Task Force of the NASA Advisory Council also recommended that the NASA Office of the Chief Technologist (OCT) begin efforts to investigate asteroid deflection techniques. With national interest growing in the United States, the NEO threat detection and mitigation problem was recently identified as one of NASA's Space Technology Grand Challenges. An innovative solution to NASA's NEO Impact Threat Mitigation Grand Challenge problem was developed through a NIAC Phase I study (9/16/11 - 9/15/12), and it will be further investigated for a NIAC Phase II study (9/10/12 - 9/9/14). Various NEO deflection technologies, including nuclear explosions, kinetic impactors, and slow-pull gravity tractors, have been proposed and examined during the past two decades. Still, there is no consensus on how to reliably deflect or disrupt hazardous NEOs in a timely manner. It is expected that the most probable mission scenarios will have a mission lead time much shorter than 10 years, so the use of nuclear explosives becomes the most feasible method for planetary defense. Direct intercept missions with a short warning time will result in arrival closing velocities of 10-30 kilometers per second with respect to the target asteroid. Given such a large arrival delta V requirement, a rendezvous mission to the target asteroid is infeasible with existing launch vehicles. Furthermore, state-of-the-art penetrating subsurface nuclear explosion technology limits the penetrator's impact velocity to less than approximately 300 meters per second because higher impact velocities prematurely destroy the nuclear fuzing mechanisms. Therefore, significant advances in hypervelocity nuclear interceptor/ penetrator technology must be achieved to enable a last-minute nuclear disruption mission with intercept velocities as high as 30 kilometers per second. Consequently, a HAIV (Hypervelocity Asteroid Intercept Vehicle) mission architecture (Figure 1.1), which blends a hypervelocity kinetic impactor with a subsurface nuclear explosion for optimal fragmentation and dispersion of hazardous NEOs, has been developed through a Phase I study, and it will be further developed and validated through a Phase II study.

Asteroid↗

NASA Institute for Advanced Concepts

The purpose of NASA Institute for Advanced Concepts (NIAC) is to provide an independent, open forum for the external analysis and definition of space and aeronautics advanced concepts to complement the advanced concepts activities conducted within the NASA Enterprises. The NIAC will issue Calls for Proposals during each year of operation and will select revolutionary advanced concepts for grant or contract awards through a peer review process. Final selection of awards will be with the concurrence of NASA's Chief Technologist. The operation of the NIAC is reviewed biannually by the NIAC Science, Exploration and Technology Council (NSETC) whose members are drawn from the senior levels of industry and universities. The process of defining the technical scope of the initial Call for Proposals was begun with the NIAC "Grand Challenges" workshop conducted on May 21-22, 1998 in Columbia, Maryland. These "Grand Challenges" resulting from this workshop became the essence of the technical scope for the first Phase I Call for Proposals which was released on June 19, 1998 with a due date of July 31, 1998. The first Phase I Call for Proposals attracted 119 proposals. After a thorough peer review, prioritization by NIAC and technical concurrence by NASA, sixteen subgrants were awarded. The second Phase I Call for Proposals was released on November 23, 1998 with a due date of January 31, 1999. Sixty-three (63) proposals were received in response to this Call. On December 2-3, 1998, the NSETC met to review the progress and future plans of the NIAC. The next NSETC meeting is scheduled for August 5-6, 1999. The first Phase II Call for Proposals was released to the current Phase I grantees on February 3,1999 with a due date of May 31, 1999. Plans for the second year of the contract include a continuation of the sequence of Phase I and Phase II Calls for Proposals and hosting the first NIAC Annual Meeting and USRA/NIAC Technical Symposium in NASA HQ.

Cassanova, Robert A.↗

The Challenge Ahead: A Critical Perspective on Meeting U.S. Growth Targets for Sustainable Aviation Fuel

With demand for jet fuel expected to more than double by 2050 and triple by 2070, continued and accelerated efforts to decarbonize the global aviation sector are needed to curtail rising emissions and avert the worst outcomes of climate change. In response to this call-to-action, the United States has unveiled the Sustainable Aviation Fuel (SAF) Grand Challenge, which seeks to expedite the development of alternative fuel pathways that offer a minimum of a 50% reduction in life cycle greenhouse gas emissions compared to conventional jet fuel. However, there is growing concern on whether sufficient biomass will be readily available to satisfy the projected sharp rise in demand for SAF. Carbon dioxide point-source emissions combined with rising supply from direct air capture efforts have the potential to complement and offset any supply gaps for biomass-derived SAF and other use cases. Independent of the chosen feedstock and conversion technology, numerous challenges persist across SAF production in seeking to drive down fuel cost and carbon intensity. To hit the 2030 target of 3 billion gal/yr, this means about a 100% compound annual growth rate in volumetric SAF production (about 130 times scale-up) will need to be realized. To achieve the stretch goal of 35 billion gallons of SAF per year by 2050, volumetric production must increase by a factor of 12 from the 3-billion-gal/year 2030 target of SAF Grand Challenge. The comparatively longer runway for 2050 combined with significant production volume growth suggests a more inclusive "all-hands-on-deck"-style approach will likely play a role. A key component in success lies in the coordinated research, development, demonstration, and deployment efforts by multiple federal agencies and industry partnerships.

09 BIOMASS FUELS↗

Accelerator and Beam Physics Research Goals and Opportunities

This report is a summary of two preparatory workshops, documenting the community vision for the national accelerator and beam physics research program. It identifies the Grand Challenges of accelerator and beam physics (ABP) field and documents research opportunities to address these Grand Challenges. This report will be used to develop a strategic research roadmap for the field of accelerator science.

43 PARTICLE ACCELERATORS↗

Parallel Computational Fluid Dynamics: Current Status and Future Requirements

One or the key objectives of the Applied Research Branch in the Numerical Aerodynamic Simulation (NAS) Systems Division at NASA Allies Research Center is the accelerated introduction of highly parallel machines into a full operational environment. In this report we discuss the performance results obtained from the implementation of some computational fluid dynamics (CFD) applications on the Connection Machine CM-2 and the Intel iPSC/860. We summarize some of the experiences made so far with the parallel testbed machines at the NAS Applied Research Branch. Then we discuss the long term computational requirements for accomplishing some of the grand challenge problems in computational aerosciences. We argue that only massively parallel machines will be able to meet these grand challenge requirements, and we outline the computer science and algorithm research challenges ahead.

Simon, Horst D.↗

The 200 Gbps Challenge: Imagining HL-LHC analysis facilities

The IRIS-HEP software institute, as a contributor to the broader HEP Python ecosystem, is developing scalable analysis infrastructure and software tools to address the upcoming HL-LHC computing challenges with new approaches and paradigms, driven by our vision of what HL-LHC analysis will require. The institute uses a "Grand Challenge" format, constructing a series of increasingly large, complex, and realistic exercises to show the vision of HL-LHC analysis. Recently, the focus has been demonstrating the IRIS-HEP analysis infrastructure at scale and evaluating technology readiness for production. As a part of the Analysis Grand Challenge activities, the institute executed a "200 Gbps Challenge", aiming to show sustained data rates into the event processing of multiple analysis pipelines. The challenge integrated teams internal and external to the institute, including operations and facilities, analysis software tools, innovative data delivery and management services, and scalable analysis infrastructure. The challenge showcases the prototypes - including software, services, and facilities - built to process around 200 TB of data in both the CMS NanoAOD and ATLAS PHYSLITE data formats with test pipelines. The teams were able to sustain the 200 Gbps target across multiple pipelines. The pipelines focusing on event rate were able to process at over 30 MHz. These target rates are demanding; the activity revealed considerations for future testing at this scale and changes necessary for physicists to work at this scale in the future. The 200 Gbps Challenge has established a baseline on today's facilities, setting the stage for the next exercise at twice the scale.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Storage Futures Study: Distributed Solar and Storage Outlook: Methodology and Scenarios

This report is one in a series of NREL’s Storage Futures Study (SFS) publications. The SFS is a multiyear research project that explores the role and impact of energy storage in the evolution and operation of the U.S. power sector. The SFS is designed to examine the potential impact of energy storage technology advancement on the deployment of utility-scale storage and the adoption of distributed storage, and the implications for future power system infrastructure investment and operations. The research findings and supporting data will be published as a series of reports, with each report being released on its completion. The table below lists the specific research topics planned for examination under the SFS and the associated publication formats. This report, the fourth in the SFS series, provides a set of scenarios for cost-effectiveness and customer adoption for a range of scenarios that include future technology costs and valuation of backup power. The SFS series provides data and analysis in support of the U.S. Department of Energy’s Energy Storage Grand Challenge, a comprehensive program to accelerate the development, commercialization, and utilization of next-generation energy storage technologies and sustain American global leadership in energy storage. The Energy Storage Grand Challenge employs a use case framework to ensure storage technologies can cost-effectively meet specific needs, and it incorporates a broad range of technologies in several categories: electrochemical, electromechanical, thermal, flexible generation, flexible buildings, and power electronics. More information, any supporting data associated with this report, links to other reports in the series, and other information about the broader study are available at https://www.nrel.gov/analysis/storage-futures.html.

25 ENERGY STORAGE↗

Tunable plasmon-enhanced second-order optical nonlinearity in transition-metal dichalcogenide nanotriangles (Final Report for SC0008712)

The control of light-matter interaction at the nanoscale is a grand challenge that cuts across modern photonics, plasmonics, and optoelectronics. The development of simulation tools for predictive modeling of nanostructured light emitters and absorbers is critical to successfully tackling this grand challenge. Existing state-of-the-art tools are not suitable for the following reasons: a) Phenomenological models of materials, commonly employed in the full-wave solutions to Maxwell’s equations, are fit to experimental data for bulk materials and fall short when attempting to analyze nanostructures. b) Nonlinearities in optical response can arise solely from nanostructuring, and require time-dependent quantum electronic transport techniques to capture. c) Emergent materials with exotic and tunable physical properties are increasingly used, but their properties are very sensitive to the substrate, impurities, and edge termination, and require an accurate description of interband and intraband processes, as well as dissipation. d) Microscopic modeling of electronic transport usually employs simplified electrodynamics, and realistic models that couple full electronic transport with full-wave electrodynamics are needed for accurate photonics simulations. The objective of this project was to computational tools that will overcome the limitations faced by current modeling tools and provide an unprecedented level of accuracy for predictive modeling of light-matter interaction at the nanoscale.

36 MATERIALS SCIENCE↗

ExaWind: Opportunity for Discovery

The predictive simulation of the dynamics of modern wind turbines and wind farms is a high-performance-computing (HPC) grand challenge. Modern wind turbines are the largest rotating machines in the world, with rotor diameters exceeding 200 meters, and with heights well into the atmospheric boundary layer. To address this grand challenge, the U.S. Department of Energy (DOE) Wind Energy Technologies Office and the Exascale Computing Project have been supporting the creation of the ExaWind modeling and simulation environment since 2016. ExaWind is composed of the incompressible-flow computational-fluid-dynamics (CFD) solvers AMR-Wind and Nalu-Wind and the wind-turbine-dynamics solver OpenFAST. In our hybrid CFD approach, Nalu-Wind unstructured-grid models resolve the near-body flow around the turbine; those models are embedded in, and two-way coupled to, an AMR-Wind structured-grid mesh through overset meshes. In this talk I give an overview of ExaWind software stack and describe how it is being used to address important problems in wind energy.

computational fluid dynamics↗

Towards Predictive Plasma Science and Engineering through Revolutionary Multi-Scale Algorithms and Models (Final Report)

This report describes the high-level accomplishments from the Plasma Science and Engineering Grand Challenge LDRD at Sandia National Laboratories. The Laboratory has a need to demonstrate predictive capabilities to model plasma phenomena in order to rapidly accelerate engineering development in several mission areas. The purpose of this Grand Challenge LDRD was to advance the fundamental models, methods, and algorithms along with supporting electrode science foundation to enable a revolutionary shift towards predictive plasma engineering design principles. This project integrated the SNL knowledge base in computer science, plasma physics, materials science, applied mathematics, and relevant application engineering to establish new cross-laboratory collaborations on these topics. As an initial exemplar, this project focused efforts on improving multi-scale modeling capabilities that are utilized to predict the electrical power delivery on large-scale pulsed power accelerators. Specifically, this LDRD was structured into three primary research thrusts that, when integrated, enable complex simulations of these devices: (1) the exploration of multi-scale models describing the desorption of contaminants from pulsed power electrodes, (2) the development of improved algorithms and code technologies to treat the multi-physics phenomena required to predict device performance, and (3) the creation of a rigorous verification and validation infrastructure to evaluate the codes and models across a range of challenge problems. These components were integrated into initial demonstrations of the largest simulations of multi-level vacuum power flow completed to-date, executed on the leading HPC computing machines available in the NNSA complex today. These preliminary studies indicate relevant pulsed power engineering design simulations can now be completed in (of order) several days, a significant improvement over pre-LDRD levels of performance.

42 ENGINEERING↗