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Knowledge Spillovers and Cost Reductions in Solar Soft Costs

Despite the commonly acknowledged importance of knowledge spillovers in reducing solar soft costs, we are only beginning to answer a fundamental question: who learns what (knowledge acquisition), from whom (knowledge production), and how (spillover mechanisms)? Until recently, this important topic has been largely unexplored in the case of solar soft costs. Thus, this project set out to identify how knowledge spillovers affect soft costs in the U.S. photovoltaic (PV) installation industry, specifically how important spillovers are, what types of knowledge are most likely to spillover, and how networks of actors affect spillovers. Our findings offer insights for designing solutions that address problems associated with knowledge spillovers and that leverage spillovers to reduce solar soft costs. Recognizing the ambiguity in the definition of soft costs, i.e., “non-hardware costs,” and variability in soft cost categories, we developed the Solar Soft Cost Ontology (SSCO) to systematically identify key concepts related to soft costs, network actors, learning processes, and the relationships between them. This ontology served as a foundational organizational structure for the methodology of the remaining tasks: case studies, surveys, pricing analysis, patent analysis, network analysis, and project integration across tasks. While there is substantial learning among installers that is reducing the soft costs for PV installations, most of that learning is retained by firms rather than spread across the industry. The positive relationship between experience accumulation and cost reductions is typically explained as learning by doing (LBD), but we find that LBD effects are mediated by other learning mechanisms, including learning by searching and learning by interacting. Knowledge spillovers have significant potential to reduce solar PV soft costs, but successful knowledge spillover pathways are complex and non-trivial. There are a wide variety of ways to construct an installation business, thus categories of firms that can effectively cross-learn directly are small and what knowledge is relevant to whom is challenging and costly for firms to assess. This fragmentation limits the critical mass needed for spillover related soft cost reductions. Knowledge does not flow directly between installers. Indirect knowledge transfer pathways are critical: distributors, software providers, collaboratives, and hiring. Furthermore, diverse, more integrated knowledge networks tend to promote successful learning by organizations and across the system as a whole. Accordingly, we find the need to supporting the whole ecosystem using an integrated policy and programmatic approach to support installers, distributors, complementary sector, and facilitators. Overall, a deliberate policy-mix design is needed to reduce the solar PV deployment barrier in terms of installation cost reductions, because deployment policies could potentially interact with policies that facilitate network-building and technological innovation. A combination of deployment policies, innovation-support policies, and network-facilitating policies could potentially lead to a more desired market outcome through achieving higher joint learning rates from firms’ cumulative experiences developed in a more integrated production and deployment ecosystem.

14 SOLAR ENERGY↗

Federal Oversight of Hydrogen Systems

The application of hydrogen as an energy carrier has been expanding into industrial and transportation sectors enabling sustainable energy resources and providing a zero-emission energy infrastructure. The hydrogen supply infrastructure includes processes from production and storage, to transportation and distribution, to end use. Each portion of the hydrogen supply infrastructure is regulated by international, federal, state, and local entities. Regulations are enforced by entities which provide guidance and updates as necessary. While energy sources such as natural gas are currently regulated via the Code of Federal Regulations and United States Code, there might be some ambiguity as to which regulations are applicable to hydrogen and where regulatory gaps may exist. This report contains an overview of the regulations that apply to hydrogen, and those that may indirectly cover hydrogen as an energy carrier participating in a sustainable zero emission global energy system. As part of this effort, the infrastructure of hydrogen systems and regulation enforcement entities are defined, and a visual map and reference table are developed. This regulatory map and table can be used to identify the boundaries of federal oversight for each component of the hydrogen supply value chain which includes production, storage, distribution, and use.

08 HYDROGEN↗

Miscalculation, Misperception and Risk Reduction

In the current security environment, the most likely wars for which the US and its allies must be prepared are wars against nuclear-armed states. Such wars bring unique risks of both vertical and horizontal escalation. Some are “accepted risks;” for example, the US may choose to escalate a conflict to clarify its commitment to an issue and defend its interest. Other are “unacceptable risks;” especially, the risk of miscalculation by the U.S. or an adversary. The focus here is on this latter category. Miscalculation is an error of judgment—the failure to accurately assess a situation. Miscalculation can result from hidden, incomplete, or ambiguous information, or from inaccurate processing of available information because of bias, overconfidence, denial, delusion, etc. Miscalculation is related to misperception. For some, they are synonymous. This paper characterizes the risks of miscalculation and introduces a discussion of a risk mitigation strategy.

45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEF↗

A Machine Learns to Predict the Stability of Highly Diverse Multi-planetary Systems

Machine learning has proven to be an invaluable tool for characterizing the stability of planets in simplified planetary systems. In this work, we investigate the performance of a machine learning classifier on tightlypacked systems containing a rich diversity of planets, from Earths to Jupiters. Using information derived from short numerical simulations about a planet’s early orbital evolution and its relationship with the most massive planets in the system, we train a random forest classifier to predict instability with a > 88 percent accuracy. Our classifier relies on relative planet masses and the standard deviation of eccentricity for much of its predictive power. Most misclassified planets lie along a multi-dimensional boundary between stable and unstable planets, indicating that their early orbital evolution is ambiguous. The major reason for misclassification in this work is timescale: because our classifier uses information from only the first 137 years of simulation data, it is blind to late time interactions that cause or prevent instability. Machine learning methods like those utilized in this work provide powerful tools to complement numerical simulations across a wide range of planetary architectures.

79 ASTRONOMY AND ASTROPHYSICS↗

Photo-cleaned Backgroundless Ion Chambers (Final Report for PDRD SR18010)

Ion chambers are often employed to measure the concentration of tritium within flowing gases. In real world environments the active surfaces of ion chambers become covered with tritiated surface contaminants. This tritiated surface contamination will create a large background response that can mask the signature of interest, which is the tritium concentration in the gas phase. Previous efforts to reduce the effects of surface contamination in ion chambers utilize inert coatings (e.g., gold) and low surface area electrodes (e.g., wire mesh), but this route only reduces the effect and does not necessarily alter the ratio of surface contamination to current collection area. Additionally, gold coating may add a substantial cost to the instrument. In the Tritium Facility, ion chambers are periodically cleaned using an alcohol-based process. This process is time consuming and often leads to ion chamber wear and breakage. In addition, periodic cleaning does not address tritium level ambiguities in gloveboxes. An ideal solution to this issue would be to either develop an ion chamber that does not accrue surface contamination, or one that is self-cleaning while it is in operation.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

On the Determination of the Radiation Doses at Hiroshima [Slides]

Essentially all knowledge regarding the chronic effects of radiation exposure is derived from statistical analyses of the survivors of Hiroshima and Nagasaki. However, we were then, and are now, uncertain about the exposures. That is: We know the effects through observations and statistical analyses, but we can only estimate the doses. Other complications include the fact that Little Boy was truly unique. It was never tested, measurements of yield were ambiguous, calculations of yield were not consistent, and calibration measurements were not made, could not be made.

61 RADIATION PROTECTION AND DOSIMETRY↗

Geothermal Fault Zone and Fluid Imaging through Joint Airborne ZTEM and Ground MT Data Inversion Analysis

This project has aimed to achieve detailed electrical resistivity resolution at geothermal reservoir scales by combining airborne natural electromagnetic (EM) field surveying (ZTEM) with ground magnetotelluric (MT) measurements to approximate an airborne MT geophysical method. MT alone is relatively expensive and may have permitting challenges in sensitive areas. Airborne ZTEM field data contains only the magnetic field, requires a background assumption, and has been limited to relatively high frequencies, thus suffering uniqueness problems. Based on proto-type 2D simulations, ZTEM ambiguities may be reduced through formal incorporation with possibly sparse ground MT soundings, which we pursued in full 3D for this project. The methodology was tested at the high-temperature Roosevelt Hot Springs geothermal system, Utah, which was considered advantageous given the near total exposure of crystalline reservoir rocks across the project area. ZTEM and ground MT survey data were acquired in 2017, subcontracted to outside parties with which we have worked in the past. These included 80 remote-referenced tensor MT soundings over the Mineral Mountains and adjacent Roosevelt Hot Spring producing geothermal system. These MT stations abut later coverage of a similar number of MT stations taken for the Utah FORGE project providing excellent total data aperture to re-solve structure beneath both project areas better than either set alone. The airborne ZTEM survey covered 704 line kilometers in E-W flight lines with a 250 m line spacing. Although this survey was timed during a maintenance-related shutdown of power production at the Roosevelt Hot Springs, other noise sources difficult to identify but including two high-voltage state-scale transmission lines compromised the ZTEM survey badly leading to unusable responses. Thus, with DOE management concurrence, the project proceeded to emphasize inversion and interpretation of the joint SubTER-FORGE MT data sets with regard to the Roosevelt Hot Springs reservoir recharge and to deep heat sources for both it and the Utah FORGE EGS project area. We also investigated the joint ZTEM-MT sampling concept with data sets from the Eleven Mile Canyon prospect area donated by the U.S. Navy (A. Sabin, PoC). Inversion of the SubTER-FORGE MT data using the HexMT 3D finite element algorithm reveals a large, low-resistivity anomaly extending sub-vertically through the depth range of the crust beneath the western Mineral Mountains. The steep conductive zone connects in the lower crust to a more tabular conductor characteristic of much of the Great Basin that generally is ascribed to current mafic magmatic underplating, hybridization and fluid release. The location of the resolved anomaly relative to the recent (0.5-0.8 Ma) eruptive centers of the Mineral Mountains implicates it as remnants of the magma body which fed these centers. This structure appears to be currently feeding heat and fluids upward into the Roosevelt Hot Springs hydrothermal system, as well as heat laterally to the FORGE project area. Separate and joint inversion models were carried out for the donated Eleven Mile Canyon MT-ZTEM data set to demonstrate concept. ZTEM only inversion showed two main alteration zones in the western portion of the project area known from geological mapping. Joint inversion including an E-W profile of MT soundings sharpened these features considerably. It also resolved in much greater detail the graben related normal faulting structure of the central project area which lies at depths exceeding the sensitivity of ZTEM alone. The sparse number of MT da-ta relative to the ZTEM required upweighting the former by a factor of several, but an exact procedure awaits future research. Our final impression is that sparse MT data can improve resolution of the subsurface over that of ZTEM alone. However, well sampled MT data are to be preferred and offer the simplicity of interpreting just one data type, and possess the superior resolution capability coming with the electric field everywhere, and from their high bandwidth.

15 GEOTHERMAL ENERGY↗

Big Data Synchrophasor Monitoring and Analytics for Resiliency Tracking (BDSMART)

This report contains key findings from a project titled Big Data Synchrophasor Monitoring and Analytics for Resiliency Tracking (BDSMART), which was carried out through a collaborative effort of a team of researchers from Texas A&M Engineering Experiment Station, Temple University, and Quanta Technology, LLC. The in-kind support came from OSIsoft (acquired by AVEVA), which provided their PI Historian software to demonstrate the use case of streaming PMU data. The first section of the report describes the project goals and objectives related to the development of Machine Learning (ML) models capable of detecting and classifying events by processing phasor measurements captured in the field by Phasor Measurement Units (PMUs). The data for this study was contributed by the utilities/ISOs from the Western and Eastern interconnects and ERCOT, further referred to as Interconnect B (IC B), Interconnect A (IC A), and Interconnect C (IC C), respectively. The approach that the BDSMART Research Team proposed and the key research tasks defined by the team are outlined in this section. The next section describes the technical approach. We first discuss the data constraints related to the PMU measurements and data interpretation constraints imposed by the data contributors. They provided neither the topological information of the grid nor PMU placement locations and captured recorded data at very few locations in the system with the reporting rate of either 30 or 60 fps. The recordings are mostly positive sequence voltage, frequency, and ROCOF, and in some limited cases, three-phase voltages and currents. We then reflect on the bad data issues that stem from poor recording practices and vague definitions of the PMU status bits to supposedly be used for bad data identification. Finally, the data discovery points to imprecise time stamps with incomplete event start/end time, as well as inconsistent and incomplete event labeling, which combined make the implementation of the data models using supervising learning quite challenging. Following the data discovery study, we hypothesize that because the IC B data has the most complete labels, we should focus our model development on that data and then test it on data from other interconnects. We also define the common metrics used to evaluate the results from the ML algorithm tests. We concluded this section by summarizing the common ML models we used and explaining how we implemented and tested them. The issues from this section are expanded in the Training Dataset Report from this project. The final section of this report deals with the accomplishments and conclusions. As the accomplishments, we formulate the problem we are solving and what is achieved by solving the problem. We then reflect on each of the analytics tools we developed and point out the performance of each tool when applied to solving the mentioned problems. We reference this work for further details to the papers we published on each tool. In the conclusions, we give recommendations on how to improve future PMU recording practices to facilitate the ML algorithm implementation and guidance for the future standardization work aimed at clarifying the ambiguities associated with the PMU status bits. We finally list future tasks that can bring about further improvements in the proposed algorithms. The issues from this section are expanded in the Training, and Test Dataset Report filed at the project completion date.

97 MATHEMATICS AND COMPUTING↗

(U) Average Scattering Angle Cosine Sensitivities

The Evaluated Nuclear Data File (ENDF) provides covariances of the average scattering angle cosine $\overline{μ}$ for 117 nuclides, and the NJOY nuclear data processing code can process these covariances. To propagate them to the uncertainty of a response due to uncertainties in $\overline{μ}$ requires sensitivities of the response with respect to $\overline{μ}$. This report uses NJOY’s definition of $\overline{μ}$ and derives a relationship between the sensitivity of a response to $\overline{μ}$ and the sensitivity of the response to the anisotropic P 1 elastic scattering cross section. This relationship has been implemented in the multigroup neutron sensitivity code SENSMG, which relies on the discrete ordinates code PARTISN for the neutron transport calculations. Kodeli has also calculated sensitivities with respect to $\overline{μ}$ and associated uncertainties. However, the formal derivation of this paper shows that the definition of the sensitivity with respect to $\overline{μ}$ is ambiguous because there are multiple ways to change $\overline{μ}$ by changing scattering cross sections. Here we derive two such ways. Both are implemented in SENSMG. This report is organized as follows. Section II discusses $\overline{μ}$ and its significance. Section III presents the equations used for the sensitivity of a response with respect to $\overline{μ}$, and Section IV discusses how to compute these sensitivities with SENSMG and MCNP6.3. Section V is a fast-spectrum test problem, and Sec. VI is a thermal-spectrum problem. Section VII is a summary. The example problem inputs are listed in the appendix.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Systematic Extraction of Pion Parton Distributions Using Threshold Resummation and Applications to Pion TMDs

Following our recent Monte Carlo determination of the pion?s PDFs from Drell-Yan (DY) and leading neutron electroproduction data from the Jefferson Lab Angular Momentum (JAM) collaboration, we extend the analysis by including effects from threshold resummation. At higher orders in the strong coupling, ?S, soft gluon emissions cause large logarithmic corrections, which become important in the qq¯ channel of the DY partonic cross section near threshold. These corrections can be summed over all orders of ?S. However, different prescriptions exist for how the threshold resummation is implemented, for instance, using varying levels of approximation in the Minimal Prescription with cosine, expansion, and double Mellin methods. We present the Monte Carlo results of the first simultaneous fit of the valence, sea, and gluon distributions in the pion taking into account the ambiguities in the resummation calculations. The wide ranges of valence distributions at large x and the effective behavior of the valence distribution as x approaches 1 is discussed. While the PDFs are extracted through collinear factorization, we additionally present a dedicated study to the low and large lepton pair transverse momentum distributions (TMDs) in the same DY experimental data. By adjusting the nonperturbative TMD components, we analyze the degree of compatibility between data and theory across all regions of transverse momentum dependence. We attempt to match the description of the low transverse momentum region using Collins-Soper-Sterman (CSS) formalism and the large transverse momentum region, which is best described using collinear factorization.

Sato, Nobuo↗

On the flow-stress model of Preston, Tonks, and Wallace - Observations, parameter constraints, and implementations (Rev. 1)

A detailed discussion about the PTW flow-stress model has been presented, including theoretical considerations, model calibrations to experimental data, and model implementations in LANL ASC hydro-codes. The main findings are: In order to reproduce the intended behavior of the PTW model at high strain rates, the following conditions on the model parameters need to be valid: y 1 ≥ s 0 and y 2 ≥ β ; When the conditions above are not satisfied, PTW and PTW_Mod1 have slightly different behavior in the phonon-drag regime, and should be treated as different models. PTW exhibits a discontinuity above the critical strain rate. PTW_Mod1 does not show such a discontinuity but implies a different strain-rate dependence at high strain rates. Examples of this behavior include older calibrations for stainless steel and depleted uranium; In the thermal-activation regime, some flexibility was introduced in the original PTW model to allow for different rate-dependent behaviors at intermediate strain rates. Example: copper. However, many material calibrations do not require this extra flexibility, and the complexity and ambiguity of the intended behavior can be partially blamed for the inconsistent model implementations across ASC codes; The limit for the material constant p going to zero is well defined and leads to a simplified flow-stress equation, discontinuity free; Modern calibrations of the PTW parameters are done using Impala. Constraints on the PTW parameters are enforced; Implementation of the PTW model in LANL ASC hydro-codes suffered of several shortcom ings. At the time of writing, FLAG and xRAGE contain consistent and correct implemen tations of the PTW and PTW_Mod1 models. Corresponding changes to Pagosa have been suggested.

36 MATERIALS SCIENCE↗

Integration of Hybrids into Wholesale Power Markets

With growing commercial activity around utility-scale hybrid storage projects in the Unites States, independent system operators (ISOs) and regional transmission organizations (RTOs) are faced with making decisions on how to represent such emerging technology resources in the market clearing software through the definition of hybrid resource participation models. System operators are facing increasing uncertainties around efficient and reliable ways to operate these resources given the ambiguity around their impacts, particularly when high levels of hybrid resources are present. This study aimed to evaluate and compare the performance implications of different hybrid resource participation models in a realistic wholesale electricity market setting with significant deployment of hybrid resources, and to provide the industry with metrics that quantify the advantages and disadvantages of different participation options using realistic electricity market simulations. The different participation models are compared in terms of the impact to reliability of the overall system, the ability of the market to access the full capabilities of hybrid resources as measured by the economic efficiency, and asset profitability.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

ENDF-6 Formats Manual - Data Formats and Procedures for the Evaluated Nuclear Data Files ENDF/B-VI, ENDF/B-VII and ENDF/B-VIII

This revision of “ENDF-6 Formats Manual” pertains to version 6 of the ENDF formats. The seventh and eighth versions of the ENDF/B library, namely ENDF/B-VII and ENDF/B VIII, use the ENDF-6 format. The manual is based on the previous version of the document, revised in June 2005, In some cases the older version from October 1991 was consulted in order to resolve some ambiguities and errors that were introduced when the reference document was translated from WordPerfect in Word format.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Radiometric Testing of Germicidal UV Products, Round 1: UV-C Towers and Whole-Room Luminaires (CALiPER Summary Report)

This summary report analyzes the independently tested performance of 13 germicidal ultraviolet (GUV) products purchased between February and July 2022. A companion full report (DOE 2023) provides additional information and discussion of the tested products, test methods, and results. The products were of three different types: • Seven portable, consumer-oriented GUV towers designed to be placed on the floor or a desk of an unoccupied room to disinfect air and surfaces. Five of these products used LED sources and two products had low-pressure mercury (LPM) sources. • One GUV whole-room luminaire designed to be installed on a ceiling to disinfect air when a room is occupied. This product had LED sources. • Five GUV troffer or high-bay style whole-room luminaires designed to be installed in or suspended from a ceiling to disinfect air and surfaces when a room is unoccupied. All five had LPM sources. Product testing covered radiometric and electrical performance for all 13 products as well as photobiological safety evaluation if product documentation included testable claims. Measurement results enable comparison between products and against manufacturer or vendor claims. Testing identified numerous issues related to the accuracy of claimed GUV product performance. Claims were often untestable, contradictory, ambiguous, or used incorrect units and/or terminology. When claims were testable, they often did not match test results. For example, three LED products that claimed to emit UV-C emitted only UV-A. Product claim issues were more common among consumer-oriented tower products, but all product types exhibited problems with accurate performance claims. The UV-C radiant efficiency (calculated as UV-C output power divided by electrical input power) of the products varied widely, even among similar products using the same source technologies. For example, the UV-C radiant efficiency of LPM products varied by greater than a factor of three for the same product type, indicating a large potential energy savings opportunity for products that are better designed for efficiency. LED products had orders-of-magnitude lower UV-C radiant efficiency than LPM products. This study also identified several testing challenges and limitations. Most significant among these is the capability to accurately test and report the performance of larger GUV products. Whereas integrating spheres are used to quickly measure total radiant flux (i.e., output power) and spectral distribution, goniometers are used to measure radiant intensity distribution (from which radiant flux can be calculated). Integrating spheres require a specialized and costly coating to test UV, and the testing laboratory for this round of products had only a 20-inch diameter hemisphere with this capability. The integrating sphere accommodated just 2 of the 10 UV-C emitting products. Goniometer testing had a different size limitation in that mirrors typically used to increase goniometer test distance to the far field reflect little to no UV. As a result, the study evaluated only 6 of 13 products in the far field. Electronic files of UV-C intensity data for the other 7 products, which would typically be imported into design software for designing GUV applications, may not be reliable for predicting irradiance at arbitrary far-field distances (IES 2022a; CIE 2020). Specifiers and buyers of GUV products need accurate performance claims and data to deploy GUV technology safely and effectively. This CALiPER GUV Round 1 report demonstrates the significant education and training manufacturers and vendors still require to accurately test and report the performance of their GUV products. Further industry standards and guidelines may address testing limitations and improve test methods, product performance, and the accuracy of performance claims.

42 ENGINEERING↗

Radiometric Testing of Germicidal UV Products, Round 1: UV-C Towers and Whole-Room Luminaires (CALiPER Full Report)

This report analyzes the independently tested performance of 13 germicidal ultraviolet (GUV) products purchased between February and July 2022. The products were of three different types: • Seven portable, consumer-oriented GUV towers designed to be placed on the floor or a desk of an unoccupied room to disinfect air and surfaces. Five of these products used LED sources and two products had low-pressure mercury (LPM) sources. • One GUV whole-room luminaire designed to be installed on a ceiling to disinfect air when a room is occupied. This product had LED sources. • Five GUV troffer or high-bay style whole-room luminaires designed to be installed in or suspended from a ceiling to disinfect air and surfaces when a room is unoccupied. All five had LPM sources. Product testing covered radiometric and electrical performance for all 13 products as well as photobiological safety evaluation if product documentation included testable claims. Measurement results enable comparison between products and against manufacturer or vendor claims. Testing identified numerous issues related to the accuracy of claimed GUV product performance. Claims were often untestable, contradictory, ambiguous, or used incorrect units and/or terminology. When claims were testable, they often did not match test results. For example, three LED products that claimed to emit UV-C emitted only UV-A. Product claim issues were more common among consumer-oriented tower products, but all product types exhibited problems with accurate performance claims. The UV-C radiant efficiency (calculated as UV-C output power divided by electrical input power) of the products varied widely, even among similar products using the same source technologies. For example, the UV-C radiant efficiency of LPM products varied by greater than a factor of three for the same product type, indicating a large potential energy savings opportunity for products that are better designed for efficiency. LED products had orders-of-magnitude lower UV-C radiant efficiency than LPM products. This study also identified several testing challenges and limitations. Most significant among these is the capability to accurately test and report the performance of larger GUV products. Whereas integrating spheres are used to quickly measure total radiant flux (i.e., output power) and spectral distribution, goniometers are used to measure radiant intensity distribution (from which radiant flux can be calculated). Integrating spheres require a specialized and costly coating to test UV, and the testing laboratory for this round of products had only a 20-inch diameter hemisphere with this capability. The integrating sphere accommodated just 2 of the 10 UV-C emitting products. Goniometer testing had a different size limitation in that mirrors typically used to increase goniometer test distance to the far field reflect little to no UV. As a result, the study evaluated only 6 of 13 products in the far field. Electronic files of UV-C intensity data for the other 7 products, which would typically be imported into design software for designing GUV applications, may not be reliable for predicting irradiance at arbitrary far-field distances (IES 2022a; CIE 2020). Specifiers and buyers of GUV products need accurate performance claims and data to deploy GUV technology safely and effectively. This CALiPER GUV Round 1 report demonstrates the significant education and training manufacturers and vendors still require to accurately test and report the performance of their GUV products. Further industry standards and guidelines may address testing limitations and improve test methods, product performance, and the accuracy of performance claims.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Modeling Gray Zone Tactics Used Against Green Energy Supply Chains

This report documents a project demonstrating capabilities within Lawrence Livermore National Laboratory’s Cyber and Infrastructure Resilience program to place newly developed numeric simulations into the current, larger geopolitical context. The emergence of state-backed gray zone threats introduces an unprecedented challenge because they fall short of armed conflict and involve ambiguous tactics, requiring a fresh analytical approach to understanding their potential impact and countering them. In the context of our project, we analyze how China might use gray zone tactics to degrade the power of the United States, including our influence over global efforts to combat climate change.

25 ENERGY STORAGE↗

The Scientific Case for Concurrent Neutron and X-ray Scattering and Spectroscopy

The interrogation of materials with X-rays or neutrons to determine the structure, energetics, and dynamics of materials is fundamental to advancing materials' physical and chemical science and developing innovative material technologies. A transcending challenge in developing novel materials is that progress hinges on understanding the structure and dynamics across multiple time and length scales in complex materials that feature multiple components, interfaces, and compositions. Despite the ever-growing demands on materials’ characterization, existing approaches are almost exclusively based on isolated X-ray or neutron scattering, i.e., an approach commensurate with the more narrowly defined needs of fifty years ago. A three-day workshop sponsored by the U.S. National Science Foundation (NSF) analyzed the demand for concurrent neutron and X-ray (NeX) experiments. It was held at the Spring Hill Suites, San Jose, California, from June 2 to 4, 2022. In this workshop, 70 national and international experts ascertained the crucial need to establish NeX capabilities to advance the science of complex materials and systems in the US. Here, we illustrate the need for NeX scattering and spectroscopy experiments by showcasing examples that span areas as diverse as biomaterials, energy science, soft matter, and nanomaterials. To provide NeX capability will require new instrumentation that enables concurrent experiments. Affected areas include chemistry, soft matter, quantum materials, pure and applied chemistry, bioscience, geoscience, and applied materials. NeX benefits research outcomes due to the complementarity of the two techniques, which is essential for better model refinement. While joint refinement of data from separate neutron and X-ray experiments is critical to avoid ambiguities, especially in multiphase-multicomponent materials, concurrent experiments overcome scientific and technical barriers associated with single measurements, separated by location and, thus, time. Among all the examples, these factors introduce uncertainties in the results that complicate data analysis. [1,2] [3] While models are strongly sample-dependent, the principles of joint refinement are generally applicable to these disciplines, including the development of advanced parameterization, modeling, and analysis techniques that also consider the temporal and spatial resolutions of the two methods, leading to unambiguous data interpretation. Solutions for technical barriers must be found to realize NeX experiments, including developing robust sample environments that meet the optical requirements of neutrons and X-rays.

36 MATERIALS SCIENCE↗

Context-Aware Learning for Inverse Design in Photovoltaics

This document describes progress in the ARPA-E DIFFERENTIATE project titled “Context-Aware Learning for Inverse Design in Photovoltaics” during the period of May 2019 to May 2022. This project is being performed at Iowa State University, New York University, Stanford University, and National Renewable Energy Laboratory. The project aims to develop a new machine learning (ML) framework to significantly accelerate the design of organic microstructures for improved organic photovoltaic performance. In this project, we had developed an inverse design framework using Deep Learning called InvNets for generating microstructures with desired physics-driven properties. As a preliminary product, in Milestone 3, we demonstrated how InvNets show 20% improvement in the performance of the microstructures and over 100X speedup in the performance compared to traditional processes for physics-driven inverse design. Later, in Milestone 6, we demonstrated that InvNets work for more complex physics properties, specifically, generating microstructures for organic photovoltaic cells with desired current-voltage characteristics. Further, in Milestone 4, we explored the idea of using physics-aware surrogates for obtaining solutions of partial differential equations(PDE) called as DiffNets(now called as NeuFENets to avoid ambiguity of names). The connection between both frameworks is that DiffNet surrogates form the physics-aware surrogate in the InvNet framework. Finally in Milestone 8, we extend our framework for other physics domains. Specifically, we explore building geometry-aware NeuFENets by developing physics surrogates that exploit ideas from traditional immersed boundary finite element methods. With these updates, we are able to achieve all the Milestones.

36 MATERIALS SCIENCE↗