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DOE OSTI2023

Accelerating Nuclear Fuels and Materials Qualification by Multi-Level Irradiation Experiment Campaign

The advanced reactor technologies feature fuels, coolants, and materials that promise safer operating conditions under normal and accident scenarios. However, the nuclear fuels and materials qualifications require several decades (for example, new reactor fuel qualification from conceptualization requires about 20 years). Therefore, accelerating nuclear fuels and materials qualification is essential, and it can be achieved by combining high through-put materials irradiation and testing, advanced post-irradiation examinations, and Multiphysics modeling. This paper addressed the associated challenges in accelerating nuclear fuels and material qualification for new and advanced reactor designs, which differ based on fuel, coolant, operating conditions, and structural materials. These challenges vary for radiation level, operating conditions (e.g., temperature and pressure), and coolant type (e.g., corrosion environment). In addition, the challenges and limitations in modeling tools, experimental facilities, and licensing guidelines are also discussed, and a general solution path forward is recommended.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

DOE OSTI2023

Presentation: Accelerating Nuclear Fuels and Materials Qualification by Multi-Level Irradiation Experiment Campaign

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

DOE OSTI2020

Advancement of Commercial Intumescent Expanding Foams for Deactivation and Decommissioning in the Nuclear Sector - 20198

Florida International University (FIU), in collaboration with The Department of Energy's Office of Environmental Management (DOE-EM), Savannah River National Laboratory (SRNL), and sites across the Savannah River complex, have identified an operational requirement for a fixative technology that is intended to immobilize and/or isolate residual contamination within a 3-dimensional space. Fixation of radiological contamination can reduce worker risk and mitigate potentially hazardous conditions, however nearly every marketed contamination fixative has been found to be flammable; a significant concern in radiological facilities. Coupled with this, industry fixatives are normally used as a thin coating which can present problems when attempting to stabilize irregular geometry or areas that are difficult to access whilst ensuring full coverage. The technical evaluation and advancement of commercial-off-the-shelf (COTS) polyurethane foams has yielded a down-selected candidate that shows potential in meeting the requirements to support deactivation and decommissioning activities. Several performance criteria have been established and tested to progress the technology readiness level towards an active field demonstration (TRL-7). Such criteria include: mechanical failure limits, adhesive and cohesive properties, thermal/fire resilience, determining thermal behavior, ability to immobilize contamination, and a means of non-destructive evaluation of applications. The test scenario examined was targeted towards an application for decommissioning nuclear pipework, in which the down-selected polyurethane foam would act as a barrier to segregate pipework and mitigate the potential for release during cutting, packaging, and storage operations. Testing carried out at SRNL included: mechanical evaluation of tensile, compressive, and adhesion strength by dynamic mechanical analysis (DMA), as well as thermogravimetric analysis (TGA). FIU examined the foam's fixative properties by utilizing phosphorescent europium-dysprosium doped strontium aluminate powder to investigating the extent to which contamination can be immobilized. FIU has also exploited previous successes in the field of intumescent technologies to assess the down-selected foam's tolerance to an extreme fire scenario, while maintaining the ability to effectively mitigate a contamination release. Parallel to this, extensive thermal investigations were carried out to determine the upper boundary of anticipated heat generation during the curing process as heat generation has the potential to compromise rubber parts of contaminated enclosures. These investigations subsequently yielded a promising method for a non-destructive application evaluation by means of infrared thermography. Utilizing the high sensitivity of modern IR cameras, coupled with the heat generated during the curing process of the polyurethane foam, FIU has been exploring the concept of monitoring the external pipe surface for indications of an irregular or abnormal application, thus informing operational decision making. The testing carried out utilized several current 'best fit' ASTM standards, which serve as helpful guidelines for testing, however, a precise definition of the operational parameters and requirements is still necessary. With continued collaboration with SRNL, FIU aims refine said definitions and develop new standards by which this, and other decommissioning technologies, can be accredited by relevant standards based testing. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2021

The coupling and competition of crystallization and phase separation, correlating thermodynamics and kinetics in OPV morphology and performances

The active layer morphology transition of organic photovoltaics under non-equilibrium conditions are of vital importance in determining the device power conversion efficiency and stability; however, a general and unified picture on this issue has not been well addressed. Using combined in situ and ex situ morphology characterizations, morphological parameters relating to kinetics and thermodynamics of morphology evolution are extracted and studied in model systems under thermal annealing. The coupling and competition of crystallization and demixing are found to be critical in morphology evolution, phase purification and interfacial orientation. A unified model summarizing different phase diagrams and all possible kinetic routes is proposed. The current observations address the fundamental issues underlying the formation of the complex multi-length scale morphology in bulk heterojunction blends and provide useful morphology optimization guidelines for processing devices with higher efficiency and stability.

36 MATERIALS SCIENCE↗

DOE OSTI2023

In-Situ Spatial Mapping of Hydrogen in Yttrium Hydrides at LANSCE (FY23 Version, Rev. 1)

This report summarizes the development of neutron imaging capabilities and experimental activities performed at the Los Alamos Neutron Science Center (LANSCE) with the main goal of measuring temperature-driven hydrogen diffusion within bulk-yttrium hydride (YH x ) materials. Yttrium hydride is the leading candidate to serve as a solid neutron moderator in microreactor cores, owing to its high density of hydrogen atoms as well as its superior thermal stability compared to all other metal hydrides. The experimental results and technique developments reported herein support the U.S. Department of Energy Office of Nuclear Energy’s (DOE-NE) Microreactor Program under Technology Maturation. In particular, it addresses the critical need to experimentally validate and verify hydrogen-diffusion models of metal hydrides used in high-temperature microreactor designs by means of high-spatial-resolution neutron imaging. These capabilities were designed to apply large temperature gradients across centimeter-sized YH x pellets to simulate conditions faced in the microreactor environment. In principle, neutron imaging, combined with in-situ sample heating, enables near real-time tracking of hydrogen diffusion in YH x on the sub-millimeter scale. In this report, an overview of neutron imaging methodology and technologies are given in the context of recent spatial measures of hydrogen concentrations in similar metal hydrides. Additionally, the commissioning and operation of a custom-built compact dual-zone furnace is given along with details on three in-situ heating measurements of YH x performed over the 2020 to 2022 LANSCE operation cycles. The aims of these experiments ranged from furnace commissioning, determining sample quality, i.e., hydrogen uniformity via neutron computed tomography, and studying the effects of applied temperature-gradients on YH x pellets. Analyses and results from these neutron imaging measurements are given along with outlooks and guidelines for optimal future hydrogen diffusion measurements. Our conclusions are as follows. Image analyses indicate that centimeter-sized yttrium hydride cylindrical pellets exhibit uniform, whole-body hydrogen desorption and absorption without clear temperature dependence as reflected in the image attenuation at the opposing ends of each sample. This suggests that despite the large magnitude in temperature gradients applied by the furnace heating elements, the sample equilibrates to an unknown intermediate temperature. The origin of this result is likely the combination of short sample length (∼1cm) and use of a TZM can for containment where the latter created a thermal short across the sample. Nevertheless, the results from the most recent measurements indicate that neither significant concentration gradients of hydrogen were formed in centimeter-sized samples through the entire temperature range (25 °C to 950 °C) nor any formed due to temperature gradients on the order of 50 °C/cm up to 700 °C/cm. Furthermore, images from the FY2021 and FY2022 measurements indicate that samples of YH x , fabricated from either the direct hydride or powder metallurgy methods, are highly uniform in their hydrogen concentration to within the measurements’ spatial resolutions. The following questions arise from these latest results: 1) What is the intermediate temperature of the pellets in the TZM cans? 2) How quickly does the temperature equilibrate within the sample? and, 3) Do the observed changes in image attenuation follow known pressure-composition-temperature relations of yttrium hydride?

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2025

Role of Computational Parameters on Predicting Self-Consistent Residual Stress and Distortion during Wire Arc Additive Manufacturing

Production of three-dimensional metallic parts through integration of an articulated robot and gas metal arc welding, also known as wire arc additive manufacturing (WAAM), can produce large-scale components with moderate geometrical complexity. This technology is particularly appealing due to its high deposition rates, scalability, and cost-effective feedstock compared to other AM processes. Despite its advantages, WAAM adoption is hindered by challenges in ensuring geometric conformity without extensive distortion, defect-free structures, and consistent mechanical properties. Finite element analysis (FEA) is often used to address the challenge of geometrical conformity. As the size of parts increases, the best practices for mesh size and temporal resolution known in the literature become computationally unviable. This research examined the effects of mesh and time-step resolutions during transient FEA of a large-scale (248 layers) metallic part. The impact of computational parameters on the thermal history, displacement, and residual stress distributions were evaluated. The results showed that predicted distortion was consistent across resolutions, while time-step length significantly affected predicted thermal history, and mesh size influenced residual stress distributions. To investigate this relationship further, directionally biased meshes were considered and analyzed. The results indicated that increasing mesh resolution perpendicular to the welding path yielded stress predictions that aligned closely with higher-resolution models while offering substantial computational savings. In conclusion, the significances of this research are related to verification and validation of WAAM models for widespread industrial adoption and pragmatic guidelines for optimizing computation parameters for balancing computational efficiency and predictive accuracy of residual stress and distortion.

Solsbee, Brandon [Univ. of Tennessee, Knoxville, T↗

DOE OSTI2025

A mechanistic study on environment gas in laser powder bed fusion

A variety of protective or reactive environmental gases have recently gained growing attention in laser-based metal additive manufacturing (AM) technologies due to their unique thermophysical properties and the potential improvements they can bring to the build processes. However, much remains unclear regarding the effects of different gas environments on critical phenomena in laser AM, such as rapid cooling, energy coupling, and defect generation. Through simultaneous high-speed synchrotron x-ray imaging and thermal imaging, we identify distinct effects of two environmental gases in laser AM and gained a deeper understanding of the underlying mechanisms. Compared to the commonly used protective gas, argon, it is found that helium has a negligible effect on cooling the part. However, helium can suppress unstable keyholes by decreasing effective energy absorption, thus mitigating keyhole porosity generation and reducing pore size under certain processing conditions. In conclusion, these observations provide guidelines for the strategic use of environmental gases in laser AM to produce parts with improved quality.

36 MATERIALS SCIENCE↗

DOE OSTI2022

Material Compatibility of 3D Printed Polymer Composites with Low GWP Refrigerants

The recent development of 3D printing brings numerous opportunities to develop polymer heat exchangers with desired configurations and allows access to the new complex engineering design for better performance. To be used in the HVAC&R system, the compatibility of these materials to refrigerants needs to be thoroughly investigated and understood. This study tested the material compatibility of the printed polymer composites according to the ASHRAE Guideline 38 using metal pressure vessels. These printed parts were tested with R-134A, R-1234YF, R-1234ZE, R-1233ZD(E), and 32-3 MAF POE (10 wt.%) was used as the lubricants. The change in volume, mass, hardness, and mechanical properties was studied in detail. Different compatibility of the composites with refrigerants was observed when the composition of the composite changed. After exposure to refrigerants, the morphological and thermal properties were studied with the scanning electron microscope, thermogravimetric analysis, and differential scanning calorimetry to further reveal the influence of these refrigerants.

Li, Kai↗

DOE OSTI2024

Methodological guidelines on concrete degradation based on predictive models and the release of MOSAIC for industry use

In light-water reactors (LWRs), the concrete biological shield (CBS) designates the concrete structure directly facing the reactor pressure vessel (RPV). The primary function of the CBS is to protect equipment and personnel from the neutron and gamma radiation exiting the RPV. Most CBSs in operation in the United States also provide structural support to the RPV. Based on a long-term structural analysis, the structural integrity of the CBS to transfer the in-service passive load to the foundation, dynamic loading during an earthquake, and thermal loading during a loss-of-coolant accident (LOCA) must be maintained. Based on test reactor data for accelerated conditions, the mechanical properties of irradiated concrete are affected when exposed to neutron fluence higher than ≈ 10 19 n.cm -2 (E > 0.1 MeV). At 80 years of operation, the fluence estimates at the surface of the CBS range between 1×10 19 and 7×10 19 n.cm -2 (E > 0.1 MeV): the fluence value depends mostly on the design. Although fluence attenuates through the CBS by virtue of the shielding properties of concrete, about 5% to 10% of the CBS wall depth is affected by high fluence. The main degradation mechanism is the so-called radiation-induced volumetric expansion (RIVE) caused by the amorphization of aggregate-forming minerals. RIVE causes large deformation of up to 18% in pure quartz, and it also reduces the structural properties of concrete. The structural effects of long-term exposure to fast neutron irradiation in LWRs was studied in the report entitled “Assessment of the Effect of the Irradiation-Induced Degradation on the In-Service Structural Performance of the Concrete Biological Shields” (M3LW-23OR0403013). This report illustrates that (1) irradiation-induced damage expands further than the region subject to a cumulative fluence of 10 19 n.cm -2 (E > 0.1 MeV) to reach the steel reinforcement location, and (2) the irradiation-induced damage region shows no substantial residual bearing capacity and should not be accounted for in the integrity assessment of the CBS.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

DOE OSTI2026

Manufactured Home Equipment Sizing and Selection Tool

This tool is for use for manufactured homes built to the HUD Code (thermal provisions of the Manufactured Housing Construction and Safety Standards, Subpart F, Section §3280), including manufactured homes certified as ENERGY STAR® and DOE Efficient New Homes. It provides a simple look-up procedure to assist equipment specifiers, HVAC contractors, home installers, retailers, manufacturers, and electric utility staff. For new manufactured homes, it guides in selection of single speed heat pumps and air conditioners. For existing homes, it determines design conditions and nominal equipment size. The guidelines provide a simple but accurate procedure that reduces oversizing and its associated problems.

Source record↗

DOE OSTI2022

Effects of interfacial contact under different operating conditions in proton exchange membrane water electrolysis

Not Available

Kang, Zhenye↗

DOE OSTI2024

Enhancing Interlayer Charge Transport of Two-Dimensional Perovskites by Structural Stabilization via Fluorine Substitution

Two-dimensional lead-halide perovskites provide a more robust alternative to three-dimensional perovskites in solar energy and optoelectronic applications due to increased chemical stability afforded by interlayer ligands. At the same time, the ligands create barriers for interlayer charge transport, reducing device performance. Using a recently developed ab initio simulation methodology, we demonstrate that ligand fluorination can enhance both hole and electron mobility by 1–2 orders of magnitude. The simulations show that the enhancement arises primarily from improved structural order and reduced thermal atomic fluctuations in the system rather than increased interlayer electronic coupling. Arising from stronger hydrogen bonding and dipolar interactions, the higher structural stability decreases the reorganization energy that enters the Marcus formula and increases the charge transfer rate. The detailed atomistic insights into the electron and hole transfer in layered perovskites indicate that the use of interlayer ligands that make the overall structure more robust is beneficial simultaneously for chemical stability and charge transport, providing an important guideline for the design of new, efficient materials.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2024

Conceptual Design of Neutron Sensor Qualification Device

The Advanced Sensors and Instrumentation Program at Idaho National Laboratory has been formulating strategies to qualify sensors for use in nuclear environments, particularly in irradiation experiments and advanced reactors. When qualifying neutron sensors for use in high-temperature environments, the wide range of neutron flux levels and representative energy spectra presents significant challenges. This paper discusses the development of the Neutron Sensor Qualification Device (NQD), which is designed to test neutron sensors in high temperature controlled environments with known neutron spectra, addressing the spatial and spectral complexities of neutron fluxes in reactor cores. The proposed NQD will be situated in the exposure room at the Armed Forces Radiobiology Research Institute, thus affording a unique capability to expose sensors to high neutron and gamma fluxes. To achieve thermal control, the device will utilize a radiation-hardened tube furnace, accommodating multiple sensors and neutron activation dosimetry wires. Titanium, iron, and cobalt dosimeter wires are chosen from the American Society for Testing and Materials and International Reactor Dosimetry and Fusion File libraries as references for providing energy-dependent fluence measurements. The design ensures precise sensor positioning to minimize mutual shielding and flux perturbation, which are evaluated via Monte Carlo N particle Transport Code (MCNP) simulations. These simulations have informed the development of guidelines on sensor placement within the NQD. The NQD is essential to the qualification of neutron sensors for advanced reactor technologies. It enables controlled testing of a statistically significant number of sensors, thereby supporting assessments of sensor performance across various neutron flux levels and temperatures. This paper highlights the detailed planning for the NQD prototype, along with its inaugural irradiation (scheduled for fiscal year [FY] 2025). The results from this initial testing will be fundamental in evaluating the device’s performance and establishing measurement uncertainty for in-pile neutron sensor measurements.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

DOE OSTI2023

Scaling for Nuclear Reactor System: Overview

A scaling analysis is essential for predicting the behavior of a reactor system under various operating conditions, as well as for ensuring safe and reliable experimentation and adequate dataset generation for supporting the system code model development and assessment in accordance with USNRC guidelines 1.203. Testing and modeling can be carried out at various scales, from small test units to full-scale reactors, to validate the predictions produced by the analysis. However, due to the cost and challenges associated with full-scale testing, the nuclear industry uses scaled test facilities—integral effect test (IET) and separate effect test (SET)—to identify potential design issues and optimize the design to ensure regulatory compliance for safer operation and anticipated accident management. In general, IET facilities are non-nuclear thermal hydraulics test facilities. In contrast, SET facilities can be non-nuclear testing (e.g., steam generator, containment, pump system SETs) and nuclear testing (mostly fuel-material irradiation testing). IETs are used to study the system-level thermal-hydraulic behavior of the reactor coolant system (RCS) under different anticipated operational occurrences (AOOs) and design basis accidents (DBAs) such as loss-of-coolant-accident (LOCA) and loss-of-power (i.e., station blackout) and loss-of-flow (i.e., failure of RCS pump). Several LOCA scenarios could happen in reactor DBAs, such as main steam line break (MSLB), SG tube rapture (SGTR), break in direct vessel injection (DVI), and other small breaks LOCA. Scaling analysis determines the appropriate size and operating conditions for the test facility. This involves analyzing the system's thermal-hydraulic behavior at different scales and identifying the key parameters that affect the thermal-hydraulic behavior of the reactor. These key parameters can be identified so that the scaled facility can replicate the expected conditions in a prototypical setting. The scaled facility can simulate the same flow rates, pressure gradients, heat transfer coefficients, and fluid properties as the prototype. Scaling analysis is used to ensure that the results from these tests can be scaled up to predict the behavior of a full-scale prototype with an acceptable range of scaling distortions.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

DOE OSTI2022

Optimize heat prosumers' economic performance under current heating price models by using water tank thermal energy storage

Due to heat prosumers' dual roles of heat producer and heat consumer, the future district heating (DH) systems will become more flexible and competitive. However, the current heating price models have not yet supported the reverse heat supply from prosumers to the central DH system, which means the prosumers would gain no economic benefit from supplying heat to the central DH system. These unidirectional heating price models will reduce interest in prosumers, and thus hinder the promotion of prosumers in DH systems. This study aimed to optimize prosumers' economic performance under the current heating price models by introducing water tank thermal energy storage (WTTES). A dynamic optimization problem was formulated to explore prosumers' economic potentials. The size parameter of WTTESs was swept in prosumers to obtain the optimal storage size considering the trade-off between the payback period and the heating cost saving. The proposed method was tested on a campus DH system in Norway. The results showed that the prosumer's annual heating cost was saved up to 9%, and the investment of WTTES could be recovered in less than ten years. This study could provide guidelines on improving prosumers' economic performance and promote the development of prosumers during the transformation period of DH systems.

Li, H↗

DOE OSTI2026

Operational Parameter Database for Molten Salt Thermal Energy Storage Tank Modeling

The second generation of concentrated solar power (CSP) plants is characterized by the use of a central receiver (either cavity or external), two molten nitrate salt tanks (60 wt.% NaNO 3 and 40 wt.% KNO 3 ), and a steam Rankine power-generation cycle connected through a primary heat exchanger. Molten salt thermal energy storage (TES) tanks have been widely deployed in commercial CSP plants worldwide and have been essential for increasing plant dispatchability and capacity factor, while also reducing the levelized cost of electricity (LCOE). These systems enable energy storage at the gigawatt-hour scale, typically providing 6 to 17 hours of storage duration. Despite being a commercial technology, the multiple failures observed after only a few months or years of operation in plants around the world demonstrate the technology's relative infancy and highlight the need for further research to improve its reliability. The National Laboratory of the Rockies (NLR), in collaboration with industry partners and academic and research institutions, has been leading multiple projects funded by the U.S. Department of Energy (DOE). These projects focus on addressing molten salt tank failures by improving tank design and welding fabrication practices, evaluating new alloys and weld fillers, and providing guidelines for tank commissioning and safe operation. In particular, this report presents modeling results on the effect of key tank operation parameters during 60 minutes of operation, including the mass flow rate and temperature of the salt inflow, tank salt inventory temperature, and inventory level for a representative molten salt tank design. These results form a database of tank operation behaviors that captures the effects of each specific parameter during charging, charging/discharging, and discharging processes.

14 SOLAR ENERGY↗

DOE OSTI2020

Nationwide HVAC Energy-Saving Potential Quantification for Office Buildings with Occupant-Centric Controls in Various Climates

The occupant-centric control (OCC) is receiving an increasing attention due to its ability to reduce building heating ventilation and air-conditioning (HVAC) system energy consumptions while not affecting the occupant thermal comfort. This paper aims to investigate and quantify the nationwide energy-saving potential of implementing the occupant-centric HVAC controls in typical office buildings using a whole building simulation software EnergyPlus. First, the medium office and large office from the Department of Energy (DOE) Commercial Prototype Building Models (CBPM) were enhanced to have detailed layouts and dynamic occupancy schedules. Then, a comprehensive simulation plan was created by incorporating the multiple zone-level and system-level occupant-centric building HVAC controls recommended by the updated ASHRAE Standard 90.1 – 2019 and ASHRAE Guideline 36 – 2018. Three control scenarios with different occupancy sensing methods were identified in this simulation plan. A nation-wide parametric analysis which includes two building types, three occupancy sensing scenarios, two building code versions, and 16 U.S. climate zones was carried out. The simulation results of the key control variables and HVAC energy consumption suggest that generally, both the occupancy presence sensor and occupant counting sensor could achieve energy savings for the office buildings in majority of the scenarios. However, compared with the occupancy presence sensor, which could support both the temperature setpoint reset and operational breathing zone airflow rate reset for the unoccupied zones, the occupant counting sensor only brings a marginal benefit. Besides, a higher HVAC energy-saving ratio could be achieved in the heating-dominated zone, since the energy reduction brought with the minimum outdoor airflow rate reset is stronger in the heating mode.

Pang, Zhihong↗

DOE OSTI2020

Effect of the Ionic Liquid Structure on the Melt Processability of Polyacrylonitrile Fibers

The production of high-strength carbon fibers is an energy-intensive process, where a significant cost involves the wet or dry-spinning of polyacrylonitrile (PAN) fiber precursors. Melt-spinning PAN fibers would allow for significant reduction in the production cost and production hazards. Ionic liquids (ILs) are an attractive fiber-processing medium because of their negligible vapor pressure and low toxicity. In addition, they are carbon-forming precursors; upon carbonization, residual ILs can enhance the carbon yield, although primarily useful for plasticized melt-spinning of PAN precursor fibers. Here, we investigated the influence of the molecular structure of ILs and the control of plasticizing interactions with PAN during melt-spinning. The structural, thermal, and mechanical properties of the melt-spun PAN fibers were obtained by a combination of various characterization methods, such as differential scanning calorimetry, thermogravimetric analysis, Fourier transform infrared spectroscopy, scanning electron microscopy, X-ray diffraction, and mechanical testing. These results demonstrated that the IL structure and counteranions influence the PAN fiber formation. More specifically, ILs containing bromide counteranions produced PAN precursor fibers with increased mechanical properties compared to ILs containing chloride anions. Our research can provide a foundation to understand the influence of ILs on melt-spinning of PAN fibers and provides us the guidelines for a higher cost-/energy-efficient production of PAN-based carbon fibers.

36 MATERIALS SCIENCE↗