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At least 1,009 records · Page 56

RESIN: Responsible Innovation for Highly Recyclable Plastics - TASK 4: Risk Assessment Framework

This report covers the entirety of Task 4, but its main purpose is to deliver milestones ML4.4 and ML4.5, the last two SOPO milestones under Task 4. ML4.4 reports on the compatibility of polymer properties that affect both environmental performance and functional performance and the tradeoffs involved in turning these properties to the benefit of each. ML4.5 presents a complete set of information on the critical properties of benign target products, where benign products are defined as those with the shortest environmental lifetime which meet performance requirements. To support and provide context to the discussions of ML4.4 and ML4.5 and to provide a complete picture of Task 4, milestones 4.1-4.3 are briefly summarized at the beginning of the report. The discussion of ML4.4 introduces the notion of polymer persistence as a proxy for environmental risk. It then discusses the development and comparison of two machine leaning models explored for estimating polymer degradation rates, a random forest (RF) classifier and an RF regressor. Given the advantage of continuous outputs rather than simple classes, the RF regressor was incorporated in the Excel risk calculator, which to this point could implement the objectives of subtasks 4.1-4.3, estimating polymer release and redistribution. The ML4.4 discussion then addresses the effect of each of the three polymer features used by the RF regressor on polymer functional performance. These features are number molecular weight (Mn), glass transition temperature (T g ) and heat of fusion (H fus ). The discussion of ML4.5 reviews the conceptual framework of the risk model, which served as the foundation for developing the Excel risk calculator and describes the use of, and assumptions within, the calculator. Appendix A is further provided as a user’s guide for the calculator. To demonstrate how the calculator is intended to be used by developers in the design of low-risk polymers, an analysis of 27 hypothetical polymers defined by varying values for the three polymer features used by the RF regressor is presented. The range of parameter values selected produces estimates of polymer degradation rates and lifetimes that may be typical of various consumer products made from polyurethane polymers and shows how changes in polymer features affect lifetimes. The demonstration also predicts the final distribution of released polymer materials in environmental compartments as a function of consumer product mix and assumed leakage rates of end-of-life processes. Lastly, this report summarizes the achievement of Task 4 goals from original conception to final delivery and discusses how and to what degree to which each subtask goal was achieved.

36 MATERIALS SCIENCE↗

Better Climate Challenge: Greenhouse Gas Reporting Guidance

Better Climate Challenge Greenhouse Gas Reporting Guidance document can help you define the scope of your commitment, set your goal and base year, and annually report progress toward your goal for Better Climate Challenge Program. You will share GHG emissions and energy data across your building/plant portfolio with DOE, including owned and operated fleets. This document provides instructional guidance on how to quantify GHG emissions across your organization. Establishing an accurate GHG inventory is a critical first step to developing a plan to reduce emissions across your organization.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

Methane Pyrolysis for CO2-free H2 and Carbon Nanomaterials - CRADA 576 (Final Report)

In this CRADA project we continued to develop the Pacific Northwest National Laboratory (PNNL) patent-pending Regenerable Catalytic Pyrolysis (ReCaP) process technology for producing CO 2 -free hydrogen (H 2 ) from inexpensive and domestically-abundant natural gas (NG), while simultaneously reducing H 2 ’s net production cost to $\$$1.0/kg through the sale of valuable crystalline solid carbon co-product. Producing clean hydrogen at this price is a DOE Hydrogen Energy Earthshot goal. This effort builds on our prior catalyst and processing advances made thermocatalytic decomposition of methane (TCD). The additional scope performed here accelerated the commercial deployment of TCD for CO 2 -free H 2 and valuable solid carbon nanotubes (CNT) co-product, by i) scaling up the production of CNT co-product using a fluidized bed reactor (25 g catalyst scale versus the 1 g catalyst scale demonstrated prior), ii) producing approximately 1 kg of CNT byproduct, produced via multiple cycles of TCD, carbon-catalyst separation, and catalyst re-synthesis, to enable the production of sufficient quantities of solid carbon so as to explore its market potential, iii) understanding the quality of the co-product CNTs, produced at larger scale, using advanced characterization, and iv) beginning to explore multiple promising high volume carbon product applications (e.g., aluminum and polymer composites, steel additive, and cement reinforcement applications). We are in discussions with Department of Energy and potential commercial partners to continue funding of this effort with the goal to facilitate eventual commercial deployment.

08 HYDROGEN↗

Novel subnanosecond rise, flattop, 100 kV high voltage pulse generator (ASAP-LDRD-22-0122)

We looked to build a new type of 100 kV pulse generator that we hope will avoid many of the problems seen with other commercially available pulse generators. We looked to exploit recent improvements in both lasers and solid-state pulse charge units along with an alternative triggering layout to build something new. For the pulse charging unit, we collaborated with Texas Tech to leverage their knowledge and expertise in pulse transformers and solid-state switching. The final result of the LDRD looks promising. Texas Tech was able to build a pulse charge unit that meets our specifications regarding output, and we were able to integrate it with a switch and a laser to create a device that meets the goals of the LDRD. There is still much work to do to advance the design further and improve reliability, but the proto-type design satisfies the goals we set for this LDRD.

42 ENGINEERING↗

Earthquake Relocation in Rock Valley, NV Using Absolute and Differential Times

In this brief report we document algorithmic choices and updates to our code related to the earthquake relocation portion of our tomographic imaging algorithm. We show results of these improvements by relocating over 40,000 events located within 20-30 km of the Rock Valley Direct Comparison (RV/DC) site using both absolute and differential arrival times within the context of two different 3-D Earth models. Accurate hypocentral locations and Earth models are important to the ultimate goals of the RV/DC program, which will co-locate a chemical explosion with a shallow earthquake within Rock Valley, southern Nevada, to investigate differences between the source types and improve our analysis algorithms for both types (Snelson et al., 2022). Our improvements to our relocation algorithms comprise just one step toward achieving these goals

58 GEOSCIENCES↗

Enhancing photonic systems using topology and non-Hermiticity

The broad goal of this project was to develop new analytical and numerical insights for how important photonic processes can be improved using recently discovered principles in topological and non-Hermitian physics. In particular, there are two recent discoveries that we aimed to harness to achieve this goal. First, it was discovered in condensed matter physics that crystalline symmetries can protect low-dimensional topologically protected states in lattices without the need for breaking time-reversal symmetry. These so-called ‘higher-order’ topological systems represent an important development for photonic systems, where it is very difficult to break time-reversal symmetry, and which had been previously thought necessary to realize topological phenomena. Second, the last decade has seen a significant amount of interest in phenomena which are unique to non-Hermitian systems, i.e., systems which do not conserve energy. For example, spatially patterned gain and loss can be used to realize exceptional points, which are degeneracies in a system’s spectrum where the system becomes defective, while the existence of radiative losses also enables a new route to confinement through bound states in the continuum. For such non-Hermitian phenomena, photonics again represents a critical platform, as photonic systems naturally lose light to their radiative environments, making them generally non-Hermitian, and it is also possible to incorporate additional gain or loss. Based on these broad principles, we pursued a range of projects to harness bound states in the continuum in a variety of different systems and architectures, develop real-space methods for classifying topological systems to yield better photonic design principles, and a novel Brillouin-based fiber laser for sensing strain.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

Understanding and Tailoring Diffusion and Co-Adsorption Inside the Confined Pores of Metal-Organic Frameworks (Final Scientific/Technical Report for Award DE-SC0019902)

The aim of this program was to gain a fundamental understanding of the behavior of various guest molecules in nano-confined environments, such as metal organic frameworks (MOFs), using a combination of novel synthesis, ab initio modeling, and in situ characterization. Through this project, we developed a concise understanding of the mechanisms that control adsorption/desorption of gaseous molecules and their mixtures, leading to design/synthesis guidelines for MOFs with desired functionality. We further developed methods to disentangle kinetic from thermodynamic effects during adsorption, as well as to characterize the interactions at play. In the first funding cycle, the focus was on the unambiguously characterization of co-adsorption and diffusion of gasses/vapors and their mixtures. In the second funding cycle, the focus was on characterizing the effects of the nano-confinement on the kinetics and thermodynamics of adsorption processes inside MOFs, again with an emphasis on mixtures of gasses and vapors. The nano-confinement can tip the thermodynamic vs. kinetic balance, and current understanding and theory based on single-component analysis can lead to incorrect predictions for mixtures. This is of particular interest in real-world applications, where gasses/vapors are typically mixed, contain impurities, or are often exposed to humid conditions. Our main findings were: (i) within confined environments the adsorption behavior of mixed gasses/vapors can be drastically different from the “sum” of the corresponding single phases; (ii) co-adsorption is often competitive and detrimental to performance, but it can also be cooperative and beneficial; (iii) in some co-adsorbed gasses/vapors, molecules that are strongly bound in the single-component phase can be replaced by molecules that are nominally weaker bound (molecular exchange) due to guest-guest interactions that lower the kinetic barriers and favor the final adsorption state; (iv) kinetic and thermodynamic effects can be precisely controlled through pore-size engineering and synthesis; and, (v) kinetic effects can be identified and disentangled from thermodynamic effects during adsorption through a series of sequential and simultaneous gas loading measurements. The short-term goal of this program was the controlling and understanding of common MOF systems in real-world situations where gasses/vapors are mixed, which will have an important impact on industrial processes and applications from gas storage and sequestration to catalysis and sensors. The long-term goals include the development of theoretical and experimental methods for gaining a fundamental understanding of adsorption/reaction processes within MOFs, as well as new guidelines for synthesizing MOFs with tailored physical and chemical properties.

36 MATERIALS SCIENCE↗

Opportunities for New Nuclear at Existing/Planned Sites

To meet future energy and environment goals, the U.S. seeks to triple nuclear energy capacity by 2050. Achieving this goal, will require a historic and sustained deployment of nuclear reactors. Opportunities exist to accelerate near-term deployment. This analysis considers opportunities to utilize existing nuclear reactor sites for the deployment of AP1000 reactors, as one opportunity to increase nuclear energy capacity in the near-term.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

Annual Report for Structure-Aware Unsupervised, Transformational Machine Learning for Drug Discovery

The major goal of this project is to develop machine learning (ML) methods to enable improved predictive power on real drug discovery for novel targets. More specifically, we plan to demonstrate the capability and effectiveness of ML tools utilizing unlabeled large-volume protein-ligand datasets. We also plan to demonstrate the capability and effectiveness of the developed methods by testing on a realistic drug discovery task to identify pan-coronavirus protease inhibitors such as SARS-CoV-2. While the overall goals and milestones remain consistent with the original proposal, certain technical details have been modified, which we will describe in this report.

97 MATHEMATICS AND COMPUTING↗

Multigrid Reduction in Time for Chaotic and Hyperbolic Problems (Final Report)

The coming massive parallelism of exascale computing presents a pressing challenge for the many DOE simulations of time-dependent partial differential equations (PDEs), which typically use traditional sequential time stepping methods. Since this traditional approach is inherently serial, it presents a sequential bottleneck when moving to exascale computing, because future performance gains will come through greater concurrency, not faster clock speeds. Thus, the goal of this work is to research parallelism in time, i.e., methods that compute multiple time values simultaneously, not sequentially. The focus will be on hyperbolic and chaotic problems of interest to DOE, with the goal of enabling scalable simulations of time-dependent hyperbolic and chaotic problems on future architectures. The chosen methodology for solving these problems parallel-in-time is multigrid, because multigrid (when it works) is a powerful, optimal, and scalable solver for discretized PDEs. Multigrid is already commonly used in many DOE simulations for scalably and optimally solving space-only PDE problems. The areas of hyperbolic and chaotic problems are chosen because of their relevance to problems of programmatic interest to DOE. However, these problems are also well-known to be difficult for parallel-in-time methods, with the most common method, parareal, diverging in many cases. The current state of-the-art for parallel-in-time at LLNL is the multigrid reduction in time (MGRIT) XBraid package, which also struggles for such problems, while still showing some improvement over parareal. In summary, new methods are needed for an efficient parallel-in-time scheme for hyperbolic and chaotic problems, and this work shall research promising new multigrid methods in this area. In particular, this work shall continue researching the directions from the current collaboration with Dr. Falgout, which are laid out in the work Toward Parallel in Time for Chaotic Dynamical Systems and showed the first known results of a parallel-in-time speedup for a chaotic problem. This work outlines two key improvements to XBraid for chaotic problems, the so-called “theta” and “delta-correction” methods. Here, these two improvements will be further researched and improved (including with a new relaxation method inspired by on Least Squares Shadowing (LSS)) and explored for more complicated problems.

97 MATHEMATICS AND COMPUTING↗

Product Innovation to Increase Low-to-Moderate-Income Customers' Adoption of Community Solar PV

This study aims to comprehensively analyze community solar project preferences for consumers and suppliers by conducting three distinct analyses. First we analyze the predictors of community solar contract adoption to understand how individual priorities affect the probability of adoption. Using an original data set of survey responses from potential community solar customers, we analyzed the predictors of contract adoption by employing a weighted logit model. We find that individuals who were previously familiar with community solar projects were significantly more likely to adopt than those who were not familiar. Secondly, a survey of community solar developers and financiers identified industry perceived barriers to community solar access and inclusion. Thirdly, we gathered payment performance information from community solar initiatives to measure how financial risks are perceived and how they interact with customer demographics. Our study is beneficial to the public by providing insights into the drivers and barriers of community solar adoption and sheds light on the importance of understanding individual priorities in designing effective community solar policies. The community solar industry has changed significantly since the beginning of this project. The industry continues to grow at a rapid rate, with an additional 7 gigawatts expected to come online between 2022 and 2027. With federal pressure to meet climate goals, as the harms of climate change continue to impact everybody, legislators are looking to community solar as a method to achieving their states energy policy goals. These new policies that push for low-to-moderate inclusion, coupled with the increase in community solar capacity illustrate a new era for the community solar industry. A number of policies have arisen in the last few months that push for more inclusive practices including the groundbreaking Solar for All program run by the EPA. The research created a “best practice” contract that can then be used, in conjunction with the manuscript and validated study, to pitch the industry on a more inclusive community solar product.

14 SOLAR ENERGY↗

Towards a Workforce Roadmap for Distributed Wind: Phase 1 - Identifying Needs and Barriers

Despite recent policy, research efforts, and resources available for utility-scale and offshore wind workforce development, the distributed wind (DW) industry has yet to make similar advances to address its workforce challenges. This report initiates the phased development of a DW workforce roadmap to provide a foundation for roadmap development. Phase 1, contained in this report, uses desk-based research on clean energy workforce approaches and a DW interested-party survey to discuss needs and barriers hindering the workforce from expanding. Findings are summarized into goals and solutions for Phase 2 of roadmap development, which identifies actors responsible for implementing solutions identified in Phase 1. Phase 1 results suggest that the sector's small size and limited growth motivate the short-term need for skilled workers or candidates with well-rounded and multifaceted abilities. Long-term expansion plans must diversify positions while capitalizing on existing utility-scale wind and offshore workforce efforts, as well as other renewable sector best practices where possible. The findings in this report can advance workforce development in the DW sector by aligning interested industry parties around common goals to address challenges. Training providers, installers, operators, manufacturers, federal agencies, national laboratories, academic partners, and labor unions can utilize the findings to help promote sustainable growth of the DW sector.

17 WIND ENERGY↗

Enabling Capabilities and Resources: 2024 Principal Investigator Meeting Proceedings

As a major supporter of basic genome-enabled research, BER’s Biological Systems Science Division (BSSD) fosters scientific discovery by funding - fundamental biological research across disciplines in conjunction with enabling investigational tools and computational capabilities that include world-class user facilities. The overarching goal of BSSD is to provide the necessary fundamental science to understand, predict, manipulate, and design biological systems that underpin innovations for bioenergy and bioproduct production and enhance understanding of natural, DOE-relevant environmental processes (Biological Systems Science Division Strategic Plan, 2021). To accelerate the U.S. bioeconomy, BSSD pursues innovative science underpinning advances in sustainable biofuels and bioproducts and the development of next-generation technologies and computational resources for systems biology research. The 2024 BSSD Enabling Capabilities and Resources (ECR) Principal Investigator (PI) meeting brought together PIs across the BSSD ECR portfolio to confer on shared interests and opportunities. The meeting was held concurrently with the Genomic Science program (GSP) PI meeting to optimize collaboration on research to advance bioenergy and the bioeconomy. Rick Stevens of Argonne National Laboratory gave a keynote on How Generative Artificial Intelligence Can Impact Biological Research (see Keynote: How Generative Artificial Intelligence Can Impact Biological Research, this page). Plenary presentations included several joint sessions that illuminated the integration and understanding of the larger BSSD mission. GSP’s objective is to provide systems-level understanding of plants, microbes, and their communities through its Bioenergy Research, Biosystems Design, and Environmental Microbiome Research portfolios. The objective of the ECR portfolio is to support development of computational and instrumental platforms to advance fundamental GSP research—and BER more broadly— toward the overall goal of understanding the functional principles of living systems and their response to environmental challenges.

59 BASIC BIOLOGICAL SCIENCES↗

Design Requirements and Software Specification for the Autonomous Energy Management Software System for Small Commercial Buildings

Commercial buildings are responsible for approximately 20 percent of the total United States energy consumption and greenhouse gas emissions. Over 85 percent of these buildings lack building automation systems. Many of these buildings are small (<50,000 square feet), underserved, and use rooftop units for heating, ventilation, and air-conditioning needs. Because these buildings lack proper energy management systems, they have several operational deficiencies that lead to excess energy consumption. Studies have shown that managing the rooftop units heating and cooling set points, schedules, setbacks, and optimal start can result in 20 to 25 percent reduction in electricity consumption in small commercial buildings. In addition, improving demand flexibility of these buildings will result additional cost savings for the building owner. Therefore, the Department of Energy’s Building Technologies Office approved a project to address the needs for small commercial buildings. The project is led by Pacific Northwest National Laboratory (PNNL) with Intellimation LLC as the cooperative research and development agreement partner. The primary goal of the project is to develop and validate an autonomous energy management software (AEMS) system that will continuously optimize small commercial building operations by minimizing energy consumption and cost, while providing a solution for maximizing decarbonization benefits from electrification of buildings. The work will leverage the vast experience of PNNL research and development staff who have over two decades of experience in developing and successfully transferring software technologies to the private sector. This solution will be jointly developed with Intellimation, a company that plans to use it to scale their building energy efficiency (EE) and grid services offering. Widespread deployment of the AEMS system will improve the EE and demand flexibility of the building commercial building stock. It should also support cities and states in meeting their climate change mitigation goals. This document describes the various EE and grid service features of the AEMS system, infrastructure and data required to implement those features, and how the features should be automated. It also details how the various features will be tested and validated, including field validation. The document also details what flexibility the users have and how they will be able to leverage those capabilities exercise those. The intent is to create an AEMS system that would support scalable deployment, requires minimal configuration, and is easy to maintain over its expected lifespan. The initial alpha release of AEMS system is planned for March 2023, and the beta release is planned for the summer of 2023. The final release is planned for March 2024. Section 2 of the report documents the relevant building types that AEMS is suitable for. Section 3 documents EE features that will be supported. It will also include the data requirements, hardware requirements, implementation details, and how EE features will be tested and validated. Grid service features will be documented in section 4, including data requirements, hardware requirements, implementation details, and how the services will be tested and validated. Planned next steps are described in section 5.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Northwest Combined Heat and Power Technical Assistance Partnership: Final Scientific/Technical Report

During the years of 2018 through 2023, The Washington State University Energy Program (WSU EP) operated the Northwest Combined Heat and Power Technical Assistance Partnership under contract to the US Department of Energy’s Advanced Manufacturing Office (AMO), a part of DOE’s larger Office of Energy Efficiency and Renewable Energy. This contract provided direction and funding for providing technical outreach, information and technical/economic analysis services in support of expanding development of Combined Heat and Power (CHP) over a four state region in the Pacific Northwest. The states served included Alaska, Idaho, Oregon and Washington. During the duration of this contract, the WSU EP delivered performed specific assigned tasks and provided services of various generally prescribed types, with the overall goal of increasing adoption of CHP as an efficient heat and power supply in the region. Indications – though not formally evaluated to our knowledge – are that this goal was achieved. Over many years, the WSU team has provided support for CHP developments in these states under similar previous Department of Energy contracts, and many such projects have been built. While the early-phase outreach, education and techno-economic assessments that the NW CHP TAP provides rarely immediately result in project construction, there is no doubt that the WSU EP team has had substantial influence in the construction of a number of important CHP projects in the region. Examples of projects implemented directly under the current team’s guidance and services during this contract cycle include an 875 kilowatt biomass fueled CHP system installed at the University of Idaho, and 5 megawatt natural gas fueled CHP system at the University of Montana ( UM Breaks Ground on New Power Facility, Slashes Emissions 30% (umt.edu) ). Many other CHP systems recently installed are also either directly or at least partially the result of information and technical services provided by the team. Finally, though much more difficult to quantify and less glamorous, the team has helped countless organizations to understand CHP and determine whether and how CHP may be a fit for them, before they consider paying for engineering services. Whether the ultimate outcome has been to include CHP or not, the expert skills provided by the NW CHP TAP team have provided real value to these organizations considering this relatively complex technology. Over the duration of the contract our team provided 71 Initial Technical Assessments and 17 Advanced Technical Assessments; 53 End-User Engagements and 33 Stakeholder Engagements of various types; 42 Technical Profiles (Project Profiles, Program Profiles and Policy Profiles), and produced 14 technical articles for the Department of Energy. Unfortunately, these quantities provide no measure of the value that the team has provided. Only our clients can judge that, and we are confident that they are pleased with the benefits we have offered them.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

Electromagnetic Radioisotope Separator for Methods Development, Testing, and Training

The major goal of the project is the construction and operation of an electromagnetic isotope separator. Included in that goal is the construction and installation of a high throughput surface ion source, with specific applicability to the Lanthanides. The surface ion source features a single-piece titanium crucible insert that mates with a tantalum hot surface ionizer. The titanium crucible, which does not readily activate, can be loaded with samarium and then irradiated simultaneously, greatly reducing operator dose.

07 ISOTOPE AND RADIATION SOURCES↗

Quantum Monte Carlo Calculations of Chemical Binding and Reactions

The auxiliary field quantum Monte Carlo method developed by the PIs has been shown to provide the most accurate description of strongly correlated electronic systems, from molecules to solids. Unlike other explicitly many‐body approaches, the quantum Monte Carlo method scales as a low order polynomial of systems size, similar to mean‐field methods such as density functional theory. However, the auxiliary field quantum Monte Carlo algorithm is significantly more expensive than traditional density functional calculations. This creates a bottleneck for applications to extended systems, such as large molecules and solids. One principal objective of this proposal was to develop new auxiliary field quantum Monte Carlo computational strategies to achieve improved scaling with system size, using downfolding and localization schemes, without sacrificing the predictive power of the calculations. A second goal is to extend the reach of auxiliary field quantum Monte Carlo to calculate excited states. This final report summarizes what has been achieved during the course the project toward these goals.

97 MATHEMATICS AND COMPUTING↗

End-Use Savings Shapes Measure Documentation: Window Film

This documentation focuses on a single end-use savings shape measure - window film. The window film studied in this analysis, called solar control film, is a passive retrofit solution for windows that does not involve window replacement. This type of film is composed of transparent, tinted, or metalized laminated polyester layers and can be attached to an existing window surface (either on the exterior or interior side of the window). The properties of the window film are designed to shift the thermal and optical performances of the overall glazing system in order to serve various needs the customer would have (e.g., heat, glare). While the practical goal of purchasing and installing a window film varies widely in the real market, this study only focuses on the goal of energy savings, and highlighting the corresponding emissions. Other important aspects that customers typically consider include visual comfort, privacy, aesthetics, ultraviolet protection, etc. Thus, in practice, customers often choose a window film product not only to save energy (or cost) but also to mitigate issues around glare, excessive light, daytime privacy, or inconsistent appearance of the building. Window film products that were modeled in this analysis significantly reduced the solar heat gain coefficient of the overall glazing system, resulting in better energy savings for buildings in hot climate regions. However, significantly reducing the solar heat gain coefficient that can block unfavorable heat during the summer can actually harm blocking favorable heat during the winter. By applying window films on a stock of buildings covering various load and weather conditions, this analysis highlights when (e.g., time of day) and where (e.g., geospacial location) we can save energy with window films.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗