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DOE OSTI2022

HE Production Update at JLab - Introducing an Enhanced Nitrogen Purge for Clean String Assembly

A major limitation to cryomodule performance is field emission caused by particulates within the superconducting cavities. To reduce contamination of the inner surfaces during assembly in a cleanroom, the whole string can be connected to a purge system, which maintains a constant overpressure of dry, clean nitrogen gas. Following successes of similar systems at XFEL and Fermilab, Jefferson Lab followed this example for the production of LCLS-II HE cryomodules. Implementing this system required new procedures, infrastructure, and hardware, as well as significant testing of the system before production began. This paper will summarize the implemented controls and procedures, including lessons learned from Fermilab, as well as the results of mock-up tests. Based on the latter, the system was used to assemble the first article string in April 2022, and was also used during a rework required due to issues with cold FPC ceramics two months later. The benefits of using a purge system with regards to procedure, time savings, and added flexibility for potential rework have already proven to provide a significant improvement for the production of LCLS-II-HE cryomodules at Jefferson Lab.

Owen, P. D.↗

DOE OSTI2021

A nodal transport method for coupled fast-thermal reactor analysis

We report that for efficient core analyses of coupled fast-thermal reactors, a new deterministic method has been developed based on the variational nodal transport method of VARIANT. A new multigroup cross section generation procedure was devised by combining Monte Carlo lattice calculations for thermal assemblies and the two-step procedure of the MC 2 -3 code for fast assemblies. To reduce assembly homogenization errors in nodal transport calculations, a new nodal equivalence method was developed based on the partial current discontinuity factor (PCDF) and incorporated in VARIANT. A practical procedure to calculate PCDFs with fixed source supercell calculations was also devised. The performance of the proposed method was investigated using a test problem derived from the versatile coupled test reactor (VCTR) design. The new procedure produced multigroup cross sections accurately for all assemblies. VARIANT transport calculations with PCDFs produced accurate multiplication factor and power distribution compared to reference Serpent-2 Monte Carlo solutions.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2022

Standard operating procedure for post-operation component disassembly and observation of benchtop water electrolyzer testing

Post-operation component disassembly and observation of electrolyzer parts is useful in understanding the interactions of the components and the electrochemical environment beyond the systems electrochemical output. We report a standard protocol for post-operation component disassembly and observation, including directions for cell-component preservation, preliminary visual inspection of cell components, and a guide for the advanced inspection of specific components with suggestions for further analysis if necessary. The procedures outlined here allow for a standardized method that can be used and compared between different laboratories and for literature comparison to experimental results.

03 NATURAL GAS↗

DOE OSTI2023

Development of Nanocomposite Coatings for Future Large-Scale Time Projection Chambers

In the context of this award we tested the performance of thin high-resistivity coatings for their potential usage as field shaping systems in future large scale xenon Time Projection Chambers (TPC). A successful implementation of such thin coatings would likely simplify the design of potential future detectors, allowing to overcome some of the challenges observed with traditional systems constituted by massive discrete electrodes. We studied a wide range of materials and characterized their optical and electrical performances as functions of temperature and wavelength. The measurement campaign indicated that uniform coatings covering the full PTFE substrate (usually used as reflector in LXe TPCs) impact too severely on the light collection performance of such detectors when used with deep UV light. Despite tuning the composition and thicknesses of nanocomposite coatings, we were not able to identify a single coating, properly working at LXe temperature, that would simultaneously fulfill the resistance and optical requirements. Following the risk mitigation strategy identified in the proposal we moved the focus of the R&D to identify proper materials that, when coated with grid-like patterns on PTFE, would not alter meaningfully its optical properties (with respect to bare PTFE panels) but would still serve as effective field shaping systems, properly containing the drift field in TPC detectors. Among the various materials we identified germanium as the most promising one, providing a good adhesion to PTFE and the proper range of sheet resistivity. The Ge-patterned coating tested within a small scale LXe TPC showed good performance as a field shape system and, as desired, did not reduce the detector light yield. These results are encouraging and such technology should further be investigated as a potential alternative to more traditional field shaping electrodes. Incidentally, in the context of this R&D, we stumbled upon an unexpected behavior suggesting that some of the treatments performed on the PTFE panels, in preparation of the coatings, meaningfully boosted the PTFE reflectivity. The most probable candidate is the O2 plasma cleaning procedure. This hypothesis will be tested in the near future by operating the small scale TPC at UChicago first with regular PTFE panels and then with panels bombarded with O2 plasma (but no coatings). This finding, if confirmed, might open up the possibility of further boosting UV light collection in future large detectors by performing such a treatment on the PTFE surfaces.

36 MATERIALS SCIENCE↗

DOE OSTI2021

IHE DDT Qualification Tests (FY2020-FY2021)

A DDT tube test was designed to meet all requirements established in the new DOE IHE qualification standard. Ten tests were successfully executed with PBX 9502 as a demonstration of the design, assembly, heating system, and methods, and to establish a baseline set of test results with an existing IHE. The explosive response in all tests was low violence (as anticipated). This report contains detailed design drawings, assembly instructions and procedures for future execution of the qualification test series, and makes recommendations for minor improvements.

42 ENGINEERING↗

DOE OSTI2020

Benchmarking materials property prediction methods: the Matbench test set and Automatminer reference algorithm

Abstract We present a benchmark test suite and an automated machine learning procedure for evaluating supervised machine learning (ML) models for predicting properties of inorganic bulk materials. The test suite, Matbench, is a set of 13 ML tasks that range in size from 312 to 132k samples and contain data from 10 density functional theory-derived and experimental sources. Tasks include predicting optical, thermal, electronic, thermodynamic, tensile, and elastic properties given a material’s composition and/or crystal structure. The reference algorithm, Automatminer, is a highly-extensible, fully automated ML pipeline for predicting materials properties from materials primitives (such as composition and crystal structure) without user intervention or hyperparameter tuning. We test Automatminer on the Matbench test suite and compare its predictive power with state-of-the-art crystal graph neural networks and a traditional descriptor-based Random Forest model. We find Automatminer achieves the best performance on 8 of 13 tasks in the benchmark. We also show our test suite is capable of exposing predictive advantages of each algorithm—namely, that crystal graph methods appear to outperform traditional machine learning methods given ~10 4 or greater data points. We encourage evaluating materials ML algorithms on the Matbench benchmark and comparing them against the latest version of Automatminer.

36 MATERIALS SCIENCE↗

DOE OSTI2023

PACT Perovskite PV Module Outdoor Test Protocol (Version 0.1)

The purpose of this protocol is to define procedures and practices to be used by the PACT center for field testing of metal halide perovskite (MHP) photovoltaic (PV) modules. The protocol defines the physical, electrical, and analytical configuration of the tests and applies equally to mounting systems at a fixed orientation or sun tracking systems. While standards exist for outdoor testing of conventional PV modules, these do not anticipate the unique electrical behavior of perovskite cells. Further, the existing standards are oriented toward mature, relatively stable products with lifetimes that can be measured on the scale of years to decades. The state of the art for MHP modules is still immature with considerable sample to sample variation among nominally identical modules. Version 0.0 of this protocol does not define a minimum test duration, although the intent is for modules to be fielded for periods ranging for weeks to months. This protocol draws from relevant parts of existing standards, and where necessary includes modifications specific to the behavior of perovskites.

14 SOLAR ENERGY↗

DOE OSTI2025

PACT Perovskite PV Module Outdoor Test Protocol (Version 0.2)

14 SOLAR ENERGY↗

DOE OSTI2022

Development and validation of a quantitative proton NMR method for the analysis of pregnenolone

Pregnenolone (PREG) is an endogenous steroid frequently sold as an over-the-counter dietary supplement touted to promote neurological and immunological health. While the PREG dietary supplement is added to the diet for health benefits, there are no FDA approved PREG drugs. However, compounded PREG drug products are available to U.S. patients. The FDA works with state regulatory authorities on the oversight of compounding activities, including developing 503A and 503B lists of bulk substances that compounders are permitted to use. PREG is one of the substances publicly nominated to be included on the 503B list. Compounded hormone therapies such as those using PREG are of interest given the lack of standardization in compounded drug products which may increase the possibility of underdosing, overdosing, or contamination. However, no USP monograph currently exists to evaluate the quality of PREG drug substance or product. To address knowledge gaps and assist in quality control, a simple and rapid quantitative proton nuclear magnetic resonance spectroscopy (qNMR) method for the identification and assay of PREG in different types of PREG products was developed and validated. PREG samples were characterized using 1D 1 H and 2D 1 H– 13 C HSQC NMR spectra. The qNMR assay method (taking approximately 10 min per NMR spectrum) was validated for precision, accuracy, specificity, robustness and linearity per ICH Q2(R1) guidance. The method was validated in a range from 0.032 to 3.2 mg/mL. As a proof of concept, seven PREG bulk substance samples, three tablet and two capsule PREG dietary supplements were assessed by the qNMR analytical procedure. NMR data from all tested samples met the expected criteria for identification and assay. The results demonstrate the potential of qNMR for the quality assessment of different types of PREG samples.

60 APPLIED LIFE SCIENCES↗

DOE OSTI2023

Likelihood-based docking of models into cryo-EM maps

Optimized docking of models into cryo-EM maps requires exploiting an understanding of the signal expected in the data to minimize the calculation time while maintaining sufficient signal. The likelihood-based rotation function used in crystallography can be employed to establish plausible orientations in a docking search. A phased likelihood translation function yields scores for the placement and rigid-body refinement of oriented models. Optimized strategies for choices of the resolution of data from the cryo-EM maps to use in the calculations and the size of search volumes are based on expected log-likelihood-gain scores computed in advance of the search calculation. Tests demonstrate that the new procedure is fast, robust and effective at placing models into even challenging cryo-EM maps.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2020

The Effects of Absorber Thickness on Reverse-Bias Damage in Cu(In,Ga)Se2 Solar Cells

We studied a variety of absorber thicknesses in Cu(In,Ga)Se 2 devices to examine the ability of the cell to withstand reverse current flow without damage. Absorbers were varied from 2.5 um to 0.4 um, with the expectation that larger reverse current would be allowed to flow at lower voltages as absorbers were made thinner. Our initial experiments showed promise. However, as the efficiency of thin devices was improved, the reverse current allowed at a given voltage decreased. Here we present our negative results on the ability of thin devices to allow higher reverse currents at lower voltages. We also give details on our procedures for reverse-bias testing small-area solar cells. We hope this information will be useful for those who want to study reverse-bias at the cell level.

14 SOLAR ENERGY↗

DOE OSTI2021

The Design, Construction and Testing of the Straw Tracking Detectors for the E989 Muon g-2 Experiment at Fermilab.

The requirement of science, to stretch the boundaries and our understanding of the standard model,is the driving force for the continuous development of our knowledge of the building blocks of theUniverse. Experiments are designed, built and tested to support the theories of the mathematiciansof the physics community and the theorists help interpret the experimental results, looking foravenues of new physics. However, as is known in both science and human nature, nothing is everperfect - there is always room for improvement.The E989 Muon g-2 Collaboration experiment at Fermi National Accelerator Laboratory (otherwiseknown as Fermilab), aims to quantify the muon anomalous magnetic moment to unprecedentedprecision and looks to increase the accuracy of the measurement by fourfold of the predecessorexperiment - E821 at Brookhaven. The discrepancy between the theoretical prediction of theanomalous magnetic moment of the muon and the experimental results, has given tantalisingindication of new physics, prompting an ”upgrade” for systematic accuracy on the E821.The particular focus of this thesis details the design, construction and quality testing of the strawtracking modules for the E989 experiment. The author was one of the dedicated technicians whobuilt and tested the tracker modules at the University of Liverpool High Energy Physics (HEP)department, she built and quality tested the modules, wrote the procedural document for the buildand subsequently was involved in the Run I startup, shut down and data taking shifts (for Run Iand Run II) which contributed to the recent release of the first unblinded data.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

DOE OSTI2022

Hardness Prediction by Incorporating Heat Transfer and Molten Pool Fluid Flow in a Multi-pass, Multi-layer Weld for Onsite Repair of Grade 91 steel

Introduction: In the current fleet of fossil-fired power plants, creep strength enhanced ferritic steels (CSEF) are used to sustain the harsh service conditions. Enhanced properties of Grade 91 steel result from tempered martensite with a fine distribution of MX and M23C6 carbides. Grade 91 steel is subjected to onsite welding repair to remedy their degradation due to extreme service condition. Knowledge of weld repairability of these steels, such as as-welded hardness distribution, is essential to establishing sound repair procedures. Experimental trial and error tests can consume a lot of time as many welding variables need to be studied. For numerical modelling, most of the multi-pass multi-layer models are based on finite element method, which are limited to solve the heat conduction equation and ignore convective heat transfer due to melt flow. Moreover, the mesh has to be pre-built based on a known or assumed weld cross-section geometry. These finite element based models thus have limited predictive capability as defects are not considered and nugget size are pre-assumed. This research aims at developing a thermal and microstructure evolution model incorporating molten pool dynamics in a multi-pass multi-layer material deposition to predict the as-welded hardness distribution. Technical Approach: All the thermal, physical, and metallurgical properties of Grade 91 as a function of temperature are collected from the literature and inputted into the thermo-fluid model based on Flow-3D, a computational fluid dynamics software. A multi-pass, multi-layer material deposition is simulated where the melting of filler wire into the molten pool is directly considered based on the volume of fluid (VOF) method. The flow behaviour of the molten pool is used to understand the formation of deposition geometry and defects. The temperature profiles during the multi-pass, multi-layer welding are calculated. The results computed using the new model are compared against the experimental data of fusion zone geometry and thermal cycles. Hardness prediction in the heat-affected zone (HAZ) are made using Johnson-Mehl-Avrami (JMA) equation for solid-state phase transformation kinetics. The JMA parameters are extracted from the experimental data available in the literature. For comparison, a standard finite element heat conduction model is also developed to predict the thermal cycles and hardness distribution in the multi-pass, multi-layer weld. Expected Result: Results obtained using the molten pool dynamic simulation versus the finite element heat conduction model are compared. Specifically, the effects of convective heat transfer on the accuracy of the calculated thermal history, bead shape and size, and HAZ hardness distribution are examined.

Modeling, Grade 91 steel, Multi-pass multi-layer d↗

DOE OSTI2026

Assembly and Testing of Scintillator Tile Modules for the CMS High-Granularity Calorimeter Upgrade

The High-Granularity Calorimeter (HGCAL), part of the upgrade to the Compact Muon Solenoid (CMS) experiment, employs silicon and scintillator tile modules in the endcaps to maintain detector performance during the High-Luminosity Large Hadron Collider (HL-LHC) era, scheduled to operate from 2030 to 2040. The upgraded calorimeter will provide highly segmented three-dimensional imaging, energy measurements, and precise timing for particle shower reconstruction. Approximately half of the HGCal plastic scintillator tile modules (1,834 total) will be assembled at Fermilab using an automated pick-and-place (PnP) machine. Following assembly, each tile module undergoes quality control (QC) procedures such as electrical validation, thermal testing, and physics validation using cosmic rays. This poster/talk presents the QC procedures and results from the tile module production in 2026, demonstrating the performance and quality of the assembled tile modules.

Bazimya, Jean Luc [Grambling State U.]↗

DOE OSTI2024

Planning Roadmap for DER Integration in India: Industry Best Practices and Resource Guide

Ensuring safe, reliable, cost-effective DER integration at scale requires holistic planning, broad stakeholder engagement, and should address key development areas such as standards adoption, equipment testing and certification, interoperability and cybersecurity, interconnection procedures, and advanced forecasting and DER management. Each of these areas currently represent significant challenges for utilities, regulators, OEMs, developers, and even consumers worldwide. India has already seen significant growth of DERs and has announced targets for substantial growth yet to come, with the potential for DERs to make up a non-negligible portion of the country's overall generation capacity. As such, it is of critical importance that Indian stakeholders consider the potential impacts of wide-spread adoption of DERs and take preemptive action related to the five development areas listed here, among others. India should consider strategies including the adoption of key DER standards related to interconnection, testing, and cybersecurity; enabling effective and secure communication channels for DER interoperability; testing and certifying DER equipment in accredited testing laboratories; building robust, streamlined interconnection procedures; and revamping legacy system planning structures to incorporate DERs in a holistic planning framework.

24 POWER TRANSMISSION AND DISTRIBUTION↗

DOE OSTI2023

Measurement and Reporting Guidelines for Solar Mirror Aging Tests Using Xenon Arc Lamp Exposure (XALE)

This technical report provides a guideline for accelerated aging tests on solar reflectors. Solar reflectors must have a high durability, with goal lifespans reaching 30 years. To test and develop state-of-the-art solar reflectors, relevant durability tests must be conducted. Existing guidelines for materials testing include isothermal testing, humidity testing, corrosion, etc., but many tests do not specify to include solar irradiance or address its relevance to solar reflector durability. The guideline focuses on test design and reporting guidelines for using Xenon Arc Lamp Exposure (XALE). The XALE environmental chambers can subject samples to a combination of relevant environmental factors including concentrated solar irradiance, heat, humidity, and weathering cycles. The guideline is meant to provide information on developing relevant test conditions, exposure times, reflectance characterization procedures, and data reporting.

14 SOLAR ENERGY↗

DOE OSTI2026

Knowledge-Based Hazardous Waste Determinations for Solar Photovoltaic (PV) Modules: A Foundational Study

This report explores using "generator knowledge" to determine whether a solar photovoltaic (PV) module must be managed as hazardous waste prior to recycling or landfilling. Generator knowledge is a legal term and existing regulatory pathway for making a hazardous waste determination that has been used by other industries but is a relatively unknown option to the PV industry. In the United States, a hazardous waste determination often acts as a pre-requisite to recycle or landfill a PV module. The results of the hazardous waste determination dictate whether the PV module must be managed as hazardous waste or nonhazardous solid waste. Managing a PV module as hazardous waste requires compliance with stringent U.S. federal and state hazardous waste law. In addition to increased management costs, which can be ten times higher, legal liability for PV modules regulated as hazardous waste is also heightened with both civil and criminal penalties for noncompliance which includes making an inaccurate or faulty hazardous waste determination. The most common reason a PV module would be regulated as hazardous is if it contains a regulated metal in an amount that equals or exceeds the toxicity characteristic limits. To determine whether a PV module exhibits a hazardous characteristic, the regulated person/entity must "apply knowledge...in light of the materials and processes used." In the absence of adequate knowledge to determine whether the PV module is hazardous, it must be tested using Test Method 1311 Toxicity Characteristic Leaching Procedure (TCLP) or an equivalent EPA-approved method. Although TCLP is the predominant method used to today to make a hazardous waste determination for PV modules, evidence from this study concludes it is not practical to TCLP test every PV module even in a single utility-scale installation, and a scalable solution is needed. This study finds that knowledge-based hazardous waste determinations may allow a regulated person/entity to make a hazardous waste determination for more than one PV module at one time - making this regulatory pathway a potential scalable solution. Through legal analysis and interviews with 44 experts, the authors explore what it means to make an accurate knowledge-based hazardous determination for PV modules considering sources and forms of information as well as potential limitations. The work aims to provide a foundation for building consensus on whether knowledge-based hazardous determinations are a viable, scalable industry approach for solar.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

DOE OSTI2021

Insulation Coordination Design for Grid-Connected Solid-State Transformers

The deployment of solid-state transformers (SSTs) in medium-voltage (MV) distribution systems is facing various challenges, especially the challenge of insulation coordination design against grid-originated lightning impulses. In this article, two challenges in existing insulation coordination designs for grid-connected SSTs are identified. One challenge is the mismatch between metal-oxide varistor (MOV) protective levels and SST insulation strength, the other challenge is the incompatibility of standard impulse test on SST protective structures. To address the MOV selection challenge, a novel lightning protection scheme is designed to protect a single-stage SST where the semiconductor modules are directly exposed to external lightning impulses. Here, the in-lab lightning impulse tests are performed to verify the overvoltage attenuation performance of the prototyped lightning protection scheme. To address the impulse test challenge, the surge withstand capability of the protected SST is comprehensively evaluated with a complete set of insulation coordination design procedures beyond the basic insulation level (BIL) test. After these two challenges are addressed, a discussion is presented on substituting conventional transformers with the protected SSTs into insulation-coordinated distribution systems to facilitate the field deployment of SSTs.

solid-state transformer (SST)↗