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FY2020 LDRD Annual Report

The Laboratory Directed Research and Development (LDRD) program funds scientific efforts to build upon the unique knowledge base of Savannah River National Laboratory (SRNL). The program yields foundational scientific research and development (R&D) essential to SRNL’s core business areas, while aligning optimally and continuously with SRNL’s Strategic Plan and providing long-term benefits to DOE and the National Nuclear Security Administration (NNSA), other customers, and stakeholders. While fiscal year (FY) 2020 presented unprecedented challenges due to the COVID-19 global pandemic, the SRNL research team continued to advance science and further technology through the support of the LDRD program.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Design and Development of a High Fidelity Cyber-Physical Testbed

In order to ensure that future critical infrastructure systems are resilient to various types of such advanced and persistent threats, it is important to develop and integrate tailored solutions that holistically address cyber-attack detection and mitigation in a timely manner such that adverse system impacts that impact a large population are avoided. Further, it is essential to create environments that allow control, protection and communication to exist within a realistic environment to analyze the effects of adverse conditions and system operating modes. This project aims to establish a high-fidelity testbed environment for modeling and simulating a single microgrid all the way up to a network of microgrids along with baseline controls, protection, and associated cyber communication. This is an important activity because accurately modeling and simulating the various power-electronics-based DERs and loads in a microgrid is critical to adequately capturing their behaviors over a wide range of off-normal conditions, as well as to evaluate the resilience of the system using the developed controls. The work presented in this report focuses on the process of building this high-fidelity testbed and the associated experimentation it enables. The model enables the creation of high-fidelity use cases and associated datasets that have been used extensively within the initiative to study resilience and support novel control development and prototyping. The work heavily leverages existing capability that is part of the high-fidelity cyber-physical system experimentation lab to create a power hardware-in-the-loop setup. The report also details the creation of an automated model building platform that can enable high-fidelity real-time models to be built without much effort allowing existing low-fidelity models to be analyzed in higher fidelity. Lastly, the report also discusses efforts center around scaling to large complex power system models to make the experimentation more effective.

97 MATHEMATICS AND COMPUTING↗

A Toolkit for Active Object-Oriented Databases with Application to Interoperability

In our original proposal we stated that our research would 'develop a novel technology that provides a foundation for collaborative information processing.' The essential ingredient of this technology is the notion of 'deltas,' which are first-class values representing collections of proposed updates to a database. The Heraclitus framework provides a variety of algebraic operators for building up, combining, inspecting, and comparing deltas. Deltas can be directly applied to the database to yield a new state, or used 'hypothetically' in queries against the state that would arise if the delta were applied. The central point here is that the step of elevating deltas to 'first-class' citizens in database programming languages will yield tremendous leverage on the problem of supporting updates in collaborative information processing. In short, our original intention was to develop the theoretical and practical foundation for a technology based on deltas in an object-oriented database context, develop a toolkit for active object-oriented databases, and apply this toward collaborative information processing.

King, Roger↗

A Toolkit for Active Object-Oriented Databases with Application to Interoperability

In our original proposal we stated that our research would 'develop a novel technology that provides a foundation for collaborative information processing.' The essential ingredient of this technology is the notion of 'deltas,' which are first-class values representing collections of proposed updates to a database. The Heraclitus framework provides a variety of algebraic operators for building up, combining, inspecting, and comparing deltas. Deltas can be directly applied to the database to yield a new state, or used 'hypothetically' in queries against the state that would arise if the delta were applied. The central point here is that the step of elevating deltas to 'first-class' citizens in database programming languages will yield tremendous leverage on the problem of supporting updates in collaborative information processing. In short, our original intention was to develop the theoretical and practical foundation for a technology based on deltas in an object- oriented database context, develop a toolkit for active object-oriented databases, and apply this toward collaborative information processing.

King, Roger↗

The Role of Probabilistic Design Analysis Methods in Safety and Affordability

For the last several years, NASA and its contractors have been working together to build space launch systems to commercialize space. Developing commercial affordable and safe launch systems becomes very important and requires a paradigm shift. This paradigm shift enforces the need for an integrated systems engineering environment where cost, safety, reliability, and performance need to be considered to optimize the launch system design. In such an environment, rule based and deterministic engineering design practices alone may not be sufficient to optimize margins and fault tolerance to reduce cost. As a result, introduction of Probabilistic Design Analysis (PDA) methods to support the current deterministic engineering design practices becomes a necessity to reduce cost without compromising reliability and safety. This paper discusses the importance of PDA methods in NASA's new commercial environment, their applications, and the key role they can play in designing reliable, safe, and affordable launch systems. More specifically, this paper discusses: 1) The involvement of NASA in PDA 2) Why PDA is needed 3) A PDA model structure 4) A PDA example application 5) PDA link to safety and affordability.

Safie, Fayssal M.↗

NASA Initiatives to Support Renewable Energy and Sustainable Infrastructure

Initiatives to build and manage climate-resilient infrastructure require spatially explicit environmental and climate information. NASA’s vantage point of Earth from space provides valuable observations that, in concert with additional information, can be used to inform both the design and operation of infrastructure that builds resilience to climate stressors. In this presentation, we provide an overview of how NASA Earth science is used to support decision-making associated with climate adaptation and mitigation, with a particular focus on renewable energy and sustainable infrastructure. Much of this work is currently delivered through NASA’s Prediction of Worldwide Energy Resources (POWER) project, which generates high quality solar and meteorological data products that are customized to the needs of user communities. Importantly, these products are delivered through a variety of web-based applications that make it easier for users to access relevant and timely information. We will highlight several examples of how the impact of POWER is scaled via a robust user community and discuss further plans to expand impact. Additionally, this presentation will highlight efforts of the NASA Earth Science Division’s Energy & Infrastructure Applications program to expand collaborative activities with researchers and practitioners that work on renewable energy and sustainable infrastructure.

Allison K Leidner↗

Development of a Test-Bed for Testing and Refining EarthEn’s Supercritical CO 2 Based Energy Storage System

EarthEn’s energy storage concept leverages supercritical carbon dioxide (sCO 2 ) as a working fluid and relies on compact, high-performance components operating at elevated pressures and temperatures. To accelerate component development and reduce technical risk prior to larger-scale demonstrations, Oak Ridge National Laboratory (ORNL) developed a 100 kW-scale sCO 2 test-bed under a Cooperative Research and Development Agreement with EarthEn (CRADA NO. NFE-24-10050). The objective of the work was to design and construct a flexible experimental facility capable of reproducing key thermodynamic state points and heat-transfer conditions relevant to EarthEn’s thermal energy storage (TES) cycle, with particular emphasis on enabling development and evaluation of next-generation heat exchangers and TES concepts. The test-bed consists of a closed-loop sCO 2 circulation system housed within an open-topped enclosure. In its as-installed configuration, dense-phase sCO 2 is recirculated through a printed circuit recuperator, an electrically heated section, a throttling device used to simulate turbine expansion, and a water-cooled printed circuit heat exchanger that rejects heat to the building chilled-water system before returning to the pump. The pump is driven by a variable frequency drive, enabling controlled adjustment of flow and operating point. A comprehensive instrumentation suite was integrated to support both safe operation and high-quality data collection. Installed sensors include Coriolis flow meters for sCO 2 flow rate and density, resistance temperature detectors and thermocouples distributed throughout the loop (including the heated section and key heat exchanger ports), and pressure transducers for absolute and differential pressure measurements. The facility was designed to support high-pressure (19 MPa nominal) and high-temperature (575°C nominal) operation with credited overpressure protection provided by a rupture disk. Nominal operating conditions were selected to support 100 kW-class testing while maintaining flexibility for non-heated and heated shakedown, control development, and future integration of advanced TES test sections. In parallel with facility development, a system-level thermal-hydraulic model was created using Modelica-based tools to support component sizing, anticipate performance over targeted test conditions, and establish a framework for future model calibration against experimental data. At the conclusion of the project performance period, the facility was in final assembly, and the pressure boundary was nearly completed. However, several practical challenges associated with high-pressure/high-temperature systems and specialized component procurement impacted schedule and prevented initial pump-driven operation and full commissioning within the available resources. This report documents the as-built design, operating capabilities, and instrumentation, and it summarizes key lessons learned related to heater fabrication and testing, first-of-a-kind assembly factors, specialty flange supply constraints, and fill pump corrective actions. Finally, it outlines a phased plan for future commissioning and experimental campaigns, including control and instrumentation shakedown, heater characterization, model calibration, and testing at state points representative of EarthEn’s TES cycle.

25 ENERGY STORAGE↗

A Cryogenic Fluid System Simulation in Support of Integrated Systems Health Management

Simulations serve as important tools throughout the design and operation of engineering systems. In the context of sys-tems health management, simulations serve many uses. For one, the underlying physical models can be used by model-based health management tools to develop diagnostic and prognostic models. These simulations should incorporate both nominal and faulty behavior with the ability to inject various faults into the system. Such simulations can there-fore be used for operator training, for both nominal and faulty situations, as well as for developing and prototyping health management algorithms. In this paper, we describe a methodology for building such simulations. We discuss the design decisions and tools used to build a simulation of a cryogenic fluid test bed, and how it serves as a core technology for systems health management development and maturation.

cryogenics↗

A research agenda for the science of actionable knowledge: Drawing from a review of the most misguided to the most enlightened claims in the science-policy interface literature

Linking science with action affords a prime opportunity to leverage greater societal impact from research and increase the use of evidence in decision-making. Success in these areas depends critically upon processes of producing and mobilizing knowledge, as well as supporting and making decisions. For decades, scholars have idealized and described these social processes in different ways, resulting in numerous assumptions that now variously guide engagements at the interface of science and society. We systematically catalog these assumptions based on prior research on the science-policy interface, and further distill them into a set of 26 claims. We then elicit expert perspectives (n = 16) about these claims to assess the extent to which they are accurate or merit further examination. Out of this process, we construct a research agenda to motivate future scientific research on actionable knowledge, prioritizing areas that experts identified as critical gaps in understanding of the science-society interface. The resulting agenda focuses on how to define success, support intermediaries, build trust, and evaluate the importance of consensus and its alternatives – all in the diverse contexts of science-society-decision-making interactions. We further raise questions about the centrality of knowledge in these interactions, discussing how a governance lens might be generative of efforts to support more equitable processes and outcomes. We offer these suggestions with hopes of furthering the science of actionable knowledge as a transdisciplinary area of inquiry.

99 GENERAL AND MISCELLANEOUS↗

Analyzing the co-evolution of green technology diffusion and consumers’ pro-environmental attitudes: An agent-based model

Massive diffusion of green technologies is significant for building a cleaner world. However, the process of technology diffusion is usually slow and complex. An in-depth understanding of the mechanism regarding green technology diffusion is an essential precondition for effectively stimulating this process. Green technology diffusion heavily involves both social and technological changes. Although existing studies have provided rich knowledge about identifying critical drivers and barriers affecting green technology diffusion, research that considers consumers’ pro-environmental attitudes and green technology diffusion as an evolving system is still sparse. Aiming at exploring the co-evolution of consumers’ pro-environmental attitudes and green technology diffusion, this paper builds an agent-based model that integrates the relative agreement model with technology diffusion theories to conduct a sequence of controlled numerical experiments, which progressively unveil how attitudinal and technological factors impact green technology diffusion. The main findings include that (1) improving consumers’ pro-environmental attitudes is prominently beneficial to green technology diffusion and maturation; (2) technology maturity has very limited impact on consumers’ first-time purchases but significantly affects consumers’ satisfaction, which would further impact consumers’ repeat purchases; (3) consumers that do not support green technologies frequently emerge during the evolution of attitudes (despite the high technology maturity), which corresponds to the emergence of the anti-environmental groups observed in the real world; (4) active interactions between non-adopters enable their attitudes to converge, which results in the polarization of consumers’ attitudes.

ABM↗

Makah Tribe Climate Assessment, Adaptation, and Resilience Planning

Our aim was to develop a Climate Adaptation and Resilience Plan through gathering community input through personal interviews and individual surveys, building from our Climate Impacts Assessment work completed in 2018. This project has collected traditional, cultural, and local knowledge to support the ongoing multi-departmental environmental planning processes of the Makah Tribe. This information was then used to identify specific human wellbeing indicators to inform and enhance Makah tribal policy, management, and decision-making processes. Combined our tribal environmental planning to include the work of the Tribal Resilience Work Group (TRWG) and Oil Spill Work Group (OSWG), which relied on publicly available Western science-based data. While this information provided a strong basis for tribal environmental planning, it does not capture the unique traditional, cultural needs, and local knowledge and tribal voices of the Makah community.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

High Resolution X-Ray Explorer (HIREX)

SAO is involved in a study to determine the feasibility of building an orbiting telescope capable of resolving 7 km structure on the Sun. In order to achieve the required imaging the telescope must have a resolution 0.01 arcsec. This fact challenges the state of the art of orbiting telescopes in several areas: Mirror Figuring; Optical Metrology; Optical Mounting; Mirror Figure Control; System Alignment; Optical Stability; Observatory Pointing; and Image Stability. The telescope design concept is based on a 0.6 m Gregorian-style telescope with a 240 meter effective focal length. This is achieved with 2 mirrors supported at opposite ends of a 35 m space-deployable boom. The telescope mirrors are coated with multilayers designed to reflect a broad XUV passband. A third, small mirror, near the focal plane performs the function of selecting the narrow band that is finally imaged. Image stabilization to the 0.005 arcsec level is achieved by active control of the secondary mirror. The primary mirror is held unadjustably to the spacecraft, its pointing set by the spacecraft orientation. The secondary mirror is mounted on a 6-axis stage that permits its position to be changed to align the telescope in space. The stage is intended for intermittent adjustment, both because of its speed of travel, and the TBD alignment procedure. The third mirror is called the TXI (Tuneable X-ray Imager). It is mounted on a gimbal that permits it to be tipped over a 60 degree range, selecting between the individual wavelengths in the initial bandpass. It can also rotated completely out of the way to allow the full, broadband EUV flux to strike the focal plane. Finally, the focal plane assembly is designed to rotate on the outer edge of a circle centered on the TXI mirror rotation axis. This permits the focal plane to move to the location that the TXI redirects the light once it has been set to a given wavelength response. The Engineering Study is divided into the following areas: Mirror Fabrication and Metrology; Optical Layout-Trade Study between On-axis and Off-axis; Overall System Design; and Pointing Control/Image Stabilization. The observational goals of the mission are described in the Mission Requirements document. The work is being performed to the requirements called out in the Science Requirements document.

Goulb, Leon↗

Climate Scenarios for the NASA / USAID SERVIR Project: Challenges for Multiple Planning Horizons

SERVIR, an acronym meaning "to serve" in Spanish, is a joint venture between NASA and the U.S. Agency for International Development (USAID) which provides satellite-based Earth observation data, modeling, and science applications to help developing nations in Central America, East Africa and the Himalayas improve environmental decision making. Anticipating climate variability / climate change impacts has now become an important component of the SERVIR efforts to build capacity in these regions. Uncertainty in hydrometeorological components of climate variations and exposure to extreme events across scales from weather to climate are of particular concern. We report here on work to construct scenarios or outlooks that are being developed as input drivers for decision support systems (DSSs) in a variety of settings. These DSSs are being developed jointly by a broad array NASA Applied Science Team (AST) Investigations and user communities in the three SERVIR Hub Regions, Central America, East Africa and the Himalayas. Issues span hydrologic / water resources modeling, agricultural productivity, and forest carbon reserves. The scenarios needed for these efforts encompass seasonal forecasts, interannual outlooks, and likely decadal / multi-decadal trends. Providing these scenarios across the different AST efforts enables some level of integration in considering regional responses to climate events. We will discuss a number of challenges in developing this continuum of scenarios including the identification and "mining" of predictability, addressing multiple continental regions, issues of downscaling global model integrations to regional / local applications (i.e. hydrologic and crop modeling). We compare / contrast the role of the U.S. National Multi- Model Experiment initiative in seasonal forecasts and the CMIP-5 climate model experiments in supporting these efforts. Examples of these scenarios, their use, and an assessment of their utility as well as limitations will be presented.

Robertson, Franklin R.↗

Gateway Implementation of Cybersecurity Requirements

Cyber threats are a constant present-day reality for any type of business -- Space exploration is not excluded from these threats either. The Gateway Program is one of NASA’s latest initiatives that extend space exploration beyond low earth orbit. Gateway allows for NASA to prove technologies and mature systems necessary to live and work on another celestial body before embarking on multi-year missions to Mars. The Gateway is a small, human-tended space station in orbit around the Moon. With the increased autonomy, distance and criticality of systems, cybersecurity is one of the critical subsystems that touches and integrates with most if not all subsystems of the Gateway. Building a gateway to the lunar orbit is no simple task. In this presentation, we outline an approach that the Gateway team adopted in creating a cyber safe and robust vehicle to support operations and assure protection of the critical functions. Gateway Program is required to implement National Institute of Standards and Technology (NIST) guidelines to adhere to the Federal Information Security Modernization Act (FISMA). NIST provides a framework for managing and controlling cybersecurity risks by defining cybersecurity controls and methodologies for implementation. The NIST framework is based upon the system, data within the system, integrations with external systems, and risk assessments to determine impacts for each of those systems. The goals and objectives are to identify appropriate security controls that fulfill and map to the NIST 800-53 framework. The implementation process involves developing an organizational understanding to manage cybersecurity risk to systems, people, assets, data, and capabilities. NIST Security controls are interpreted and defined within the Gateway vehicle requirements subsystems specifications. This paper details the approach, implementation, and challenges faced during the development and design phases to address cyber threats during the Gateway vehicle operations.

Svetlana Hanson↗

Gateway Implementation of Cybersecurity Requirements

Cybersecurity threats are a constant present-day reality for any type of business -- Space exploration is not excluded from these threats either. The Gateway Program is one of NASA’s latest initiatives that extend space exploration beyond low earth orbit. Gateway allows for NASA to prove technologies and mature systems necessary to live and work on another celestial body before embarking on multi-year missions to Mars. The Gateway is a small, human-tended space station in orbit around the Moon. With the increased autonomy, distance and criticality of systems, cybersecurity is a critical discipline that touches and integrates with most if not all subsystems of the Gateway. Building a gateway to the lunar orbit is no simple task. In this presentation, we outline an approach that the Gateway team adopted in creating a cyber safe and robust vehicle to support operations and assure protection of the critical functions. Gateway Program is required to implement National Institute of Standards and Technology (NIST) guidelines to adhere to the Federal Information Security Modernization Act (FISMA). NIST provides a framework for managing and controlling cybersecurity risks by defining cybersecurity controls and methodologies for implementation. The NIST framework is based upon the system, data within the system, integrations with external systems, and risk assessments to determine impacts for each of those systems. The goals and objectives are to identify appropriate security controls that fulfil and map to the NIST 800-53 framework. The implementation process involves developing an organizational understanding to manage cybersecurity risk to systems, people, assets, data, and capabilities. NIST Security controls are interpreted and defined within the Gateway vehicle requirements subsystems specifications. This paper details the approach, implementation, and challenges faced during the development and design phases to address cyber threats during the Gateway vehicle operations.

Cybersecurity↗

Wood template-supported phase change material composites for durable and form-stable thermal energy storage in buildings

Here, to reduce and shift peak energy loads in buildings, phase change materials (PCMs) with high transition enthalpies and transition temperatures near human thermal comfort are desirable for thermal energy storage (TES). Traditional solid/liquid PCMs suffer from leakage during thermal cycling, requiring encapsulation that lowers heat storage capacity. Wood templates (WTs), with porous and hierarchical structures, provide natural encapsulation scaffolds for PCM containment. Polyethylene glycol (PEG) is a compatible PCM with WTs, but when infiltrated alone, ~30 wt% of PEG binds to wood with no detectable phase change, limiting TES efficiency. To address this, we developed a method to (1) improve the form stability of balsa and pine-based composites (BWT + PCMs and PWT + PCMs) and (2) reduce inactive PCM within the composites to ~10 wt%. BWT + PCMs exhibit transition properties upwards of 114.2 J/g at 25.4 degrees C, with no degradation after 1000 thermal cycles, and similar stiffness compared to raw balsa. Meanwhile, PWT + PCMs exhibit 25 % higher storage efficiency with the addition of poly(ethylene glycol) diacrylate compared to solely PEG-infiltrated PWT. PWT + PCM retains 84 % of raw pine's mechanical stiffness, sufficient for light-duty construction. Our shape-stabilized WT + PCM composites enrich the functionality of wood materials as both ideal TES material candidates and light-duty building construction applications.

25 ENERGY STORAGE↗

Dual Channel Dual Staging: Hierarchical and Portable Staging for GPU-Based In-Situ Workflow

In-situ workflows have emerged as an attractive approach for addressing data movement challenges at very large scales. Since GPU-based architectures dominate the HPC landscapes, porting these in-situ workflows, and, specifically, the inter-application data exchange, to GPU-based systems can be challenging. Technologies such as GPUDirect RDMA (GDR), which is typically used for I/O in GPU applications as an optimization that circumvents the CPU overhead, can be leveraged to support bulk data exchanges between GPU applications. However, current GDR design often lacks performance portability across HPC clusters built with different hardware configurations. Furthermore, the local CPU may also be effectively used as an auxiliary communication mechanism to offload data exchanges. In this paper, we present a dual channel dual staging approach for efficient, scalable, and performance-portable inter-application data exchange for in-situ workflows. This approach exploits the data access pattern within in-situ workflows along with the inherent execution asynchrony to accelerate data exchanges and, at the same time, improve performance portability. Specifically, the dual channel dual staging method leverages both the local CPU and the remote data staging server to build a hierarchical joint staging area and uses this staging area to transform blocking inter-application bulk data exchanges into best-effort local data movements between GPU and CPU. The dual channel dual staging is implemented as a portability extension of the Dataspaces-GPU staging framework. We present an experimental evaluation of its performance, portability, and scalability using this implementation on three leadership GPU clusters. The evaluation results demonstrate that the dual channel dual staging method saves up to 75% in data-exchange time compared to host-based, GDR, and alternate portable designs, while maintaining scalability (up to 512 GPUs) and performance portability across the three platforms.

Zhang, Bo [University of Utah]↗

The IDAES process modeling framework and model library—Flexibility for process simulation and optimization

Abstract Energy systems and manufacturing processes of the 21st century are becoming increasingly dynamic and interconnected, which require new capabilities to effectively model and optimize their design and operations. Such next generation computational tools must leverage state‐of‐the‐art techniques in optimization and be able to rapidly incorporate new advances. To address these requirements, we have developed the Institute for the Design of Advanced Energy Systems (IDAES) Integrated Platform, which builds on the strengths of both process simulators (model libraries) and algebraic modeling languages (advanced solvers). This paper specifically presents the IDAES Core Modeling Framework (IDAES‐CMF), along with a case study demonstrating the application of the framework to solve process optimization problems. Capabilities provided by this framework include a flexible, modifiable, open‐source platform for optimization of process flowsheets utilizing state‐of‐the‐art solvers and solution techniques, fully open and extensible libraries of dynamic unit operations models and thermophysical property models, and integrated support for superstructure‐based conceptual design and optimization under uncertainty.

42 ENGINEERING↗