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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Assessment of Grizzly Capabilities for Reactor Pressure Vessels and Reinforced Concrete Structures

Over the last several years, capabilities to simulate the progression and effects of degradation in critical structures in light water reactor (LWR) nuclear power plants have been under development in the Grizzly code. Age-related material degradation is important for a number of systems in LWRs, but the main focus for Grizzly development has been on reactor pressure vessels (RPVs) and concrete structures because of their central role and the difficulty of replacement of these structures if they are found to be degraded to an unacceptable degree. The capabilities for analyzing both RPVs and concrete structures in Grizzly have reached a point where the feature sets are sufficiently complete to perform credible analyses of those types of structures. Because of this, the emphasis has shifted from foundational development to assessing the accuracy of these modeling capabilities on representative problems of interest and on improving the physical basis of those models to improve their ability to predict the actual response of those structural systems. This report documents a first set of test cases that have been developed to assess the Grizzly code on real-world problems for these two types of structures. For RPVs, these test cases consist of a set of benchmark problems where Grizzly is compared to another code. For concrete structures, a set of models of experimental specimens designed to characterize the multidimensional swelling response of reinforced concrete members due to alkali-silica reaction (ASR) has been developed and compared with experimental results. Both the RPV and concrete test cases developed here are much more computationally intensive than the small regression tests that are used in the testing that Grizzly undergoes every time a proposed set of changes is made to ensure that those changes do not adversely affect previously established behavior. A system for regularly running these large problems to monitor the behavior of the code as it is developed has been instituted. While these test cases generally indicate good comparison with the benchmark results, they also indicate areas where further development is warranted.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2023

Investigating Marine Environmental Degradation of Additive Manufacturing Materials for Renewable Energy Applications

Marine renewable energy is a relatively young industry where there is a great need for rapid prototyping in design-build-test campaigns to quickly mature groundbreaking technologies. Additive manufacturing has an important role to play in the industry; however, little information is available to marine energy developers to help inform them on which additive manufacturing materials are appropriate for highly loaded structures in harsh marine environments. This paper presents an initial study on the mechanical characterization of polymeric additive manufacturing materials and the degradation effects due to the marine environment. Ultem 9085, acrylonitrile styrene acrylate, and chopped carbon-filled nylon, as well as continuous carbon and glass fiber-reinforced nylon were chosen for this study. Samples were manufactured to perform a variety of tension, shear, and compression mechanical characterization tests on the materials. Half of the samples were conditioned in Pacific Ocean water for approximately 6 months at the Pacific Northwest National Laboratory's Marine and Coastal Research Laboratory before being returned for mechanical characterization. The mechanical testing results showed that the Ultem 9085 and acrylonitrile styrene acrylate materials experienced little to no degradation in stiffness or strength after exposure to the marine environment. On the other hand, the nylon-based materials suffered significant stiffness and strength degradation (over 50% in some cases) after environmental conditioning. Ultimately, these data sets should serve as starting points to allow marine renewable energy developers to make informed additive manufacturing material choices for their prototype deployments.

additive manufacturing↗
DOE OSTI2023

Investigating Marine Environmental Degradation of Additive Manufacturing Materials for Renewable Energy Applications: Preprint

Marine renewable energy is a relatively young industry where there is a great need for rapid prototyping in design-build-test campaigns to quickly mature groundbreaking technologies. Additive manufacturing has an important role to play in the industry; however, little information is available to marine energy developers to help inform them on which additive manufacturing materials are appropriate for harsh marine environments. This paper presents an initial study on the mechanical characterization of polymeric additive manufacturing materials and the degradation effects of marine environments. Ultem 9085, acrylonitrile styrene acrylate, and chopped carbon-filled nylon, as well as continuous carbon and glass fiber-reinforced nylon were chosen for this study. Samples were manufactured to perform a variety of tension, shear, and compression mechanical characterization tests on the materials. Half of the samples were conditioned in Pacific Ocean water for approximately 6 months at Pacific Northwest National Laboratory's Marine Sciences Laboratory before being returned for mechanical characterization. The mechanical testing results showed that the Ultem 9085 and acrylonitrile styrene acrylate materials experienced little to no degradation in stiffness or strength after exposure to the marine environment. On the other hand, the nylon-based materials suffered significant stiffness and strength degradation (over 50% in some cases) after environmental conditioning. Ultimately, these data sets should serve as starting points to allow marine renewable energy developers to make informed additive manufacturing material choices for their prototype deployments.

additive manufacturing↗
DOE OSTI2022

Development of an Open-source Alloy Selection and Lifetime Assessment Tool for Structural Components in CSP

Lack of sufficient data on high temperature mechanical and corrosion behavior of structural materials is a huge barrier in the technological maturity of current and future Concentrating Solar Power (CSP) technologies. Rapid development and selection of materials cannot be achieved by expensive and time-consuming acquisition of experimental data. The goal of the proposed work is development of an open-source alloy selection and lifetime prediction tool that will integrate validated physics-based models to describe influence of temperature, alloy composition, environment and component geometry (thickness) on mechanical and corrosion behavior of Ni and Fe-based alloys employed in molten salts/sCO 2 heat exchangers. This one-year project leveraged the extensive dataset on the creep\corrosion behavior of candidate materials generated at ORNL through past projects and input from current collaborations with industrial partners. Based on previous experience and the feedback provided by industry (Brayton Energy and Echogen), three candidate materials of interest, Ni-based alloys 740H, 282 and 625 and application-specific operating conditions (max. temperature of 730 °C and stress of 150 MPa) were identified for the heat exchanger. An extensive corrosion and creep dataset was assimilated for the relevant operating conditions and was supported by detailed characterization of about 100 metallographic cross-sections. The corrosion dataset consisted of scanning electron microscopy images (secondary electron and backscatter electron), measured concentration profiles of alloying elements using energy dispersive X-ray spectroscopy (EDS), widths of denuded zones (dissolution of strengthening phases) and depths of attack in molten KCl-MgCl 2 mixtures using image analyses. The creep dataset comprised of creep rupture data and creep strain curves (for 740H and 282). Coupled thermodynamic-kinetic microstructure-based models were employed to predict the stress-corrosion induced compositional and phase evolutions in the alloy during operation under the identified operating conditions. Reduced order models were developed from advanced physics-based models and were integrated in a user-friendly alloy selection tool. The corrosion model was able to predict the time to a critical Cr concentration at the oxide/alloy interface (chemical lifetime) within ±10% (1 standard deviation) of typical statistical variation in corrosion tests and EDS measurement errors (±0.5 wt%). The initial scope of the project was limited to predict creep rupture times (Larson-Miller parameter). Based on the input provided by industry, the mechanical lifetime of the heat exchanger is governed by accumulated creep strains (2%) rather than creep rupture. To be able to predict the times to specific creep strains, a more extensive creep model development was undertaken largely beyond the initial scope of the project. The continuum damage mechanics creep model was able to predict times to 2% creep strain, t 2% with an accuracy of ±500h. Ultimately, a screening protocol for SiC was generated to demonstrate the pathway for integration of one of the currently immature materials from a commercial adoption standpoint in the current material evaluation tool. The modeling tool developed here is accessible to the science community and stakeholders and lays the foundation for methods that will enable a rapid evaluation of optimum materials for CSP applications and reliable prediction of material degradation thereby considerably reducing operational costs, improving reliability and increasing overhaul intervals. However, the complete potential of such a tool to include a wider range of materials and test conditions can only be realized with a more concentrated combined experimental-characterization-computation effort.

14 SOLAR ENERGY↗
DOE OSTI2026

Measuring the Stress Factors for Photovoltaic (PV) Backsheet Degradation

Back sheet failure has resulted in power loss and large-scale recall of photovoltaic modules, resulting in billions of dollars in lost revenue. The light exposure on the backside of a photovoltaic module comes primarily from reflected light which alters the distribution of natural sunlight. Because of this, modelling the backside exposure and duplicating the exposure is much more difficult than modeling the frontside exposure. This project aims to study how various back sheets and junction box materials degrade under different conditions and to develop Python code to help model and predict degradation. The stress factors for back-sheet degradation must be quantified to extrapolate accelerated stress tests to the field. Test samples were placed in the A3, A4, and A5 conditions, as defined in IEC 62788-7-2, to assess the temperature and humidity dependence of ultraviolet (UV) induced degradation. We are utilizing a custom chamber with exposure from 0.5 UV-suns to 5 UV-suns to understand the dependence of degradation on light intensity. A group of samples put in the A3 condition had glass filters with 50% UV cut-offs of 320 nm, 335 nm, and 360 nm to assess the wavelength dependence of UV degradation. All this data is necessary to assess the impact of non-standard UV light exposure. The material evaluation tests include gloss measurements, attenuated total internal reflectance Fourier transform infrared spectroscopy (ATR-FTIR), UV-visible reflectance/transmittance utilizing a Cary Ci7000 spectrophotometer, and a nano-indenter for surface hardness and modulus measurements. Alongside the experimental work, there is a computational effort using raytracing and Python open-source tools in PVDeg , PVLib, and Bifacial_Radiance. This code will create specific exposure scenarios and enable the evaluation of chamber degradation relative to field degradation. Equation 1 is a strawman equation used to model degradation on the backside of a PV module. We will create simplified code, based on the results of ray-tracing calculations, which uses a view factor approach to provide fast calculations for the most common exposure scenarios.

14 SOLAR ENERGY↗
DOE OSTI2020

Raman Spectroscopy Analysis of the Structure and Surface Chemistry of Ti3C2Tx MXene

Raman spectroscopy is one of the most useful tools for the analysis of two-dimensional (2D) materials. While MXenes are a very large family of 2D transition metal carbides and nitrides, there have been just a few Raman studies of materials from this family. Here, we report on a systematic study of the most widely used and most important MXene to date: Ti 3 C 2 T x . By synthesizing material using different methods, we show that Raman spectra of Ti 3 C 2 T x are affected not only by the composition and surface groups but also by intercalated species and stacking. Due to a plasmonic peak of Ti 3 C 2 T x around 785 nm, resonant conditions are achieved, enabling us to observe an extra peak at ~120 cm –1 , when excited with a red diode laser. We report differences in Raman spectra collected from single flakes of Ti 3 C 2 T x , colloidal solutions, and multilayer films. Lastly, we show how an undesirable photoluminescent background could serve as evidence of material degradation, which leads to the formation of defective titania and amorphous carbon. Overall, this study shows how Raman spectroscopy can be used for the characterization of important emerging 2D materials: MXenes.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Utilizing Oxygen Redox in Layered Cathode Materials from Multiscale Perspective

We report in high-capacity layered oxide cathode materials, utilization of lattice oxygen as a redox center is considered to be one of the most promising approaches to overcome the capacity limitation set by conventional transition metal redox centers. However, rapid material degradation is often associated with oxygen oxidation, leading to formidable challenges in utilizing oxygen redox. Further mechanistic understanding of the oxygen activities thus becomes critical to better control oxygen redox reactions. This review summarizes recent advances for investigating oxygen redox reactions in cathode materials from a multiscale perspective, i.e., from the atomistic level to the microstructure regime. First the mechanistic aspects of oxygen redox and the consequences of this reaction on various electrode degradation pathways during battery operation (e.g., oxygen loss, transition metal migration, irreversible phase transition), relating structural changes at the crystallographic scale to those at the macro scale, are discussed. Then recent developments based on atomic and microstructure modifications that are promising for improving the reversibility of oxygen redox reaction or mitigating the harmful processes arising from oxidation of the oxygen centers under high operating voltage are recounted. The analysis is concluded with a commentary on further research directions toward optimizing the oxygen activity for high-capacity charge storage.

25 ENERGY STORAGE↗
DOE OSTI2026

Photoelectrode Durability in Two- versus Three-Electrode Configurations: Understanding the Impact of Circuit Configuration on Water-Splitting Stability

Device durability remains a significant challenge in photoelectrochemical (PEC) water splitting under ambient conditions. Yet, a lack of understanding of the test configuration and applied bias effects continue to hinder progress. In this study, we differentiate two-electrode (2E) and three-electrode (3E) configurations for evaluating PEC material durability, focusing particularly on their impacts on photoabsorber solid-state operating conditions. Our results underscore the fallacy of inferring 2E device stability from durability measurements performed solely in 3E configurations. Unmeasured and often misunderstood total circuit bias in 3E tests moderates material degradation, leading to the overestimation of photoelectrode stability compared to short-circuit operation. We demonstrate how the photoabsorber's operating voltage critically governs charge separation, surface stability, and degradation mechanisms during PEC operation. With these findings, we propose a standardized framework for conducting more reliable 3E durability experiments that simulate unassisted performance to help accelerate the development of robust, stable materials for solar-driven water splitting.

08 HYDROGEN↗
DOE OSTI2024

2023 SRNL Aging and Lifetimes Report: Tritium Aging of Welded and Additively Manufactured Austenitic Stainless Steels

This report documents work performed in fiscal year 2023 at Savannah River National Laboratory (SRNL) collaborating with Sandia National Laboratories in support of the Aging and Lifetimes program. This work supports Gas Transfer Systems (GTS) design by measuring the mechanical behavior of structural materials used in GTS. Data on properties in relevant conditions are crucial for GTS lifetime assessments and predictions. To simulate relevant conditions, SRNL, in concert with the Savannah River Site, thermally pre-charges test specimens with tritium and stores them at -80°C to allow the tritium decay product, helium-3, to build up while limiting tritium diffusion. According to test plans based on how much helium-3 has accumulated, specimens are removed from storage and tested. Results from mechanical testing provide an empirical basis for GTS design as well as insight to how these structural materials degrade in a tritium environment.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2026

Electrostatic‐Attraction‐Driven Self‐Assembled Graphene‐Disordered Rocksalt Composite Cathode for Lithium‐Ion Batteries

Disordered rocksalt cathodes hold promise for achieving high-capacity lithium-ion batteries while using low-cost, earth-abundant elements. However, their electrochemical performance remains critically limited by their poor electronic conductivity. Conventional strategies such as high-energy ball milling with excess carbon additives can improve conductivity but remain challenging to scale and often produce defects and increase surface area, thereby accelerating capacity degradation. Herein, we report an alternative approach of electrostatic-attraction-driven self-assembly to fabricate Li 1.2 Mn 0.6 Ti 0.2 O 1.8 F 0.2 (LMTOF) particles uniformly wrapped with electronically conductive graphene sheets without associated materials degradation. The graphene-wrapped LMTOF demonstrates significantly improved cycling stability (89% capacity retention after 100 cycles) and superior rate capability compared with an LMTOF-carbon composite electrode fabricated using the conventional high-energy ball-milling process. Post-cycling analysis reveals reduced oxygen evolution, suppressed unwanted side reactions, and improved structural integrity for the graphene-LMTOF composite. This work highlights the advantages of solution-based carbon wrapping and offers a scalable strategy to prepare high-performance DRX cathodes for lithium-ion batteries.

carbon composite↗
DOE OSTI2025

Nanoscale structural evolution and phase transformation of geopolymers: In situ SAXS/WAXS investigation under uniaxial tension at elevated temperatures

This investigation delves into the degradation mechanisms of high-density polyethylene geomembranes (PE GMXs) under a spectrum of conditions, replicating real-world scenarios within a rigorously controlled laboratory setting. The treatment protocols applied induced a notable increase in the crystallinity of the treated specimens relative to the untreated controls. Small-angle x-ray scattering (SAXS) analysis identified an initial long period (interlamellar distance) of 16.9 nm for the untreated polymer, which expanded by 19.5% at a strain of 16.7 percent. Conversely, the treated PE GMXs exhibited a more gradual elongation of the long period, with an increase of merely 10.6% at a strain of 23.3 percent. At an elevated temperature of 65°C, both samples exhibited pronounced strain hardening, with the treated PE GMXs demonstrating superior stability even at a strain of 150 percent. Wide-angle x-ray scattering (WAXS) experiments corroborated these observations, revealing that the diffraction patterns of the untreated PE remained stable up to a strain of 16.7%, whereas those of the treated PE remained distinct up to a strain of 46.1 percent. Scanning electron microscopy (SEM) images substantiated the formation of a shish–kebab structure in the treated samples. The study concludes that the geopolymer underwent oxidation and material degradation as a result of the chemical and mechanical treatments, transitioning to a more crystalline state and concomitantly losing its initial elasticity.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Wear in particle based CSP systems from particle abrasion and attrition at high temperature

High temperature particle-based receivers offer distinct advantages over conventional molten salt receivers due to their ability to achieve temperatures above 700 ºC, direct absorption of solar energy as they fall through a beam of concentrated sunlight, and the relative ease of storage (and retrieval using a secondary working fluid) in insulated storage tanks. The use of particles, however, also raises concerns with material degradation from the flow of hot or cold particles through discharge hoppers or along the inner receiver surfaces and other system components (e.g. tubes, valves etc.), depending on operating mode of the receiver. The flow of particles over surfaces may result in loss of material from abrasive wear, impact erosion from impingement under gravitational fall and particle attrition as particles fall and move on top of each other. In the present study, the performance of candidate materials and particles were evaluated through a series of abrasion erosion and particle attrition experiments at room temperature as well as at 800 °C. Candidate materials were subject to abrasive wear from particles at low particle to material velocities inside a resistance heated kiln, and analyzed for changes in mass and surface morphology using cross-sectional scanning electron microscopy (SEM) and energy dispersive x-ray spectroscopy (EDS) tests. The wear rate for different specimens was noted to be largely driven by the strength of chromia scales built on the specimens from exposure to high temperature. Particle attrition measurements explored the susceptibility of particles to breakdown from particle to particle interaction and the generation of fines from this process. At the low velocities expected in particle based CSP plants, the particles tested exhibited near negligible breakdown. However, changes in the particle hardness at 800 ºC resulted in a significantly higher particle breakdown to sizes <40 microns raising potential environmental concerns. In addition to particle breakdown, it was also noted that the sample had oxides from the stainless steel test setup mixed in with the particles. Similar oxides can be expected to turn up in the utility scale particle based CSP plants as well. The presence of oxide was also noted to affect the solar absorptivity of the mixture compared to a clean initial specimen, potentially resulting in a change in the overall efficiency of the CSP plant.

14 SOLAR ENERGY↗
DOE OSTI2021

VERA-Grizzly Ex-Core Calculations: Watts Bar Unit 1 Cycles 1-2

The critical structures that comprise light-water reactor (LWR) nuclear power plants are subjected to operating environments that can challenge their integrity. Structures in close proximity to the reactor core, such as the reactor pressure vessel (RPV) and the biological shield wall, are subjected to high levels of radiation emanating from the core, as well as elevated temperatures. As the US fleet of operating LWRs ages, the effects of these operating environments on the integrity of these structures must be considered to ensure their continued safe operation. Extending the lifetime of commercial reactors and maintaining the aging reactor fleet require accurate prediction of the exposure of ex-core components to neutron and photon radiation. In particular, concrete degradation studies must be performed to evaluate the safety and long-term operation of reactors with lifetime extensions. The concrete reactor bioshield is important for providing radiological protection during operation and must last for the entire lifetime of the reactor. Recent interest in lifetime extensions furthers the need to accurately simulate concrete material degradation in the reactor bioshield. As a result of this need, the Nuclear Energy Advanced Modeling and Simulation (NEAMS) program has funded this study to couple its tools, Virtual Environment for Reactor Applications (VERA) and Grizzly. VERA allows users to set up models to calculate time-dependent and fully coupled solutions (with thermal feedback) for ex-core quantities of interest such as vessel and coupon fluence and detector responses for multiple statepoints and cycles. Grizzly is a finite-element application based on the Multiphysics Object Oriented Simulation Environment (MOOSE) framework that is used to enable aging materials calculations. This report highlights the work performed to calculate the fluence in the vessel and concrete for Watts Bar Nuclear Plant Unit 1 (WBN1) Cycles 1 and 2. The fluences obtained from VERA were successfully transferred to Grizzly using a Python script. Four simulations were run with Grizzly: (1) the Mazars model with the initial Young’s modulus being the instantaneous modulus, (2) the Mazars model with the initial Young’s modulus being the delayed modulus, (3) the Mazars model with the initial Young’s modulus being the delayed modulus with the addition of the effects of micro-damage caused by irradiation, and (4) the Mazars model with the initial Young’s modulus being the instantaneous modulus, and with the addition of micro-damage and creep. Details regarding the methods used to obtain the fluence and the statistical errors associated with the VERA Monte Carlo Shift calculations are discussed in greater detail in this report. The results obtained from the four Grizzly models are also presented in this report.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2025

Comparative Mechanical Properties Analysis of Triple Ion-Beam Irradiated and Neutron Irradiated Potential Plasma Facing Components

Abstract Several classes of materials are being proposed for use in fusion reactors including oxide dispersion strengthened (ODS) and reduced activation ferritic-martensitic (RAF/M) steels to withstand the severe and harsh conditions. In this work, the mechanical properties of a Fe-16Cr-4Al-2W-0.3Ti-0.3Y 2 O 3 (K3) (ODS) ferritic steel and a Fe-8.9Cr-1.1W-0.47Mn-0.2V-0.14Ta-0.11C (Eurofer 97) (RAF/M) steel) after triple ion beam irradiation were locally evaluated utilizing in-situ micro-pillar compression tests, and continuous stiffness/quasi-static nanoindentation. No change in mechanical properties was observed in the K3 ODS steel. However, the Eurofer 97 RAF/M steel exhibited radiation-induced effects via increases in yield strength. Micro-pillar techniques were expanded to neutron-irradiated materials via an in-situ testing technique employing lift-out methods on Fe-14Cr-0.9Ti-0.3Mo-0.25Y 2 O 3 (MA957) ODS ferritic steel. Both the non-irradiated and irradiated compressive yield stresses of the MA 957 micro-pillars were in good agreement with bulk yield stress values reported in the literature, suggesting that the lift-out micro-pillar compression testing technique is a promising method. The demonstration of these techniques on ion beam and neutron irradiated ODS steels and ion beam RAF/M steels gives information to inform models of the material degradation during use in a fusion device.

alloys↗
DOE OSTI2026

NLR CSP Optical Facilities: Illuminating the Path Forward Through Innovation and Impact: Agreement 38490

This initiative is a multi-faceted project at the National Laboratory of the Rockies (NLR) aimed at strengthening its Concentrating Solar Power (CSP) Optical Facilities to advance the development of low-cost, high-performance materials for solar and other applications. The project's strategy is built on three pillars: strategic stakeholder engagement, diligent facility maintenance and utilization, and the development of new research capabilities. The overarching goal is to ensure the facilities remain state-of-the-art resources for industry and academia, thereby accelerating the conversion of concentrated sunlight into energy. A key driver of the project is an international Advisory Board, which provides critical guidance on research priorities and industry needs, leading to new collaborations and secured funding. This external engagement, combined with proactive outreach to industry partners, ensures the lab's work remains aligned with real-world challenges, including materials durability and performance certification. Significant efforts in facility maintenance have addressed challenges with aging infrastructure. Notable achievements include the complete refurbishment of the hail-damaged Ultra-Accelerated Weathering System (UAWS) and the successful replacement of a failing 15-year-old Lambda 1050 spectrophotometer with a new-generation model, substantially upgrading material characterization capabilities. These maintenance activities were complemented by achieving a prestigious ISO 9001:2015 certification for the Advanced Optical Materials Labs, formally recognizing the quality and reliability of NLR's measurement capabilities. Despite these successes, challenges remain, including high demand for the High Flux Solar Furnace (HFSF) and intermittent failures of other key instruments. The project has delivered major advancements in research techniques and capabilities. At the Flatirons campus, a new indoor laboratory, was established to house advanced deflectometry and photogrammetry systems for heliostat characterization. For on-sun testing, a novel, actively cooled turning mirror was developed for the HFSF, enabling more realistic testing of particle receivers and components. A collaboration with Virginia Tech successfully demonstrated the high-temperature durability of a new solar absorber coating through extensive cyclic testing. Concurrently, new modeling took place to better predict material degradation on rough, fractal surfaces. In summary, this project has systematically enhanced NLR's CSP Optical Facilities through strategic upgrades, rigorous maintenance, and stakeholder-guided research. By overcoming equipment failures, budgetary constraints, and logistical hurdles, the project has reinforced NLR's role as a central hub for CSP innovation and materials testing. Future work will focus on securing diverse funding, expanding collaborations, and continuing to provide the critical infrastructure needed to accelerate the development and deployment of next-generation technologies.

14 SOLAR ENERGY↗
DOE OSTI2022

Record Efficiency Multijunction Solar Cells with Strain-Balanced Quantum Well Superlattices

The absorption edge of a GaAs solar cell can be tuned to longer wavelengths with strain-balanced quantum wells, as an alternative to metamorphic epitaxy. For one-sun photovoltaic applications, an optimum bandgap for both single and multijunction solar cells is near the broad water absorption peak at 930 nm and can be accessed by a Ga0.9In0.1As alloy. This alloy is strained with respect to the GaAs substrate, and so only very thin ~10 nm layers can be grown without relaxation via dislocation formation. However, solar cells require significant thickness for complete absorption of the incoming solar spectrum, requiring many such layers. We have designed quantum well superlattices with up to 300 sets of carefully tuned strain-balanced GaInAs/GaAsP pairs by limiting composition modulation and material degradation. We have incorporated quantum well solar cells into multijunction devices to achieve record 32.9% two-junction and 39.5% three-junction solar cells under standard one-sun illumination. We will describe the physics of the quantum well devices and the growth conditions that lead to sharp interfaces and good material quality, as well as the characterization of the efficiencies.

GaAs↗
DOE OSTI2022

Vacancy formation energies and migration barriers in multi-principal element alloys

Multi-principal element alloys (MPEAs) continue to garner interest as structural and plasma-facing materials due to their structural (phase) stability and increased resistance to radiation damage. Despite sensitivity of mechanical behavior to irradiation and point-defect formation, there has been scant attention on understanding vacancy stability and diffusion in refractory-based MPEAs. Using density-functional theory, we examine vacancy stability and diffusion barriers in body-centered cubic (Mo 0.95 W 0.05 ) 0.85 Ta 0.10 (TiZr) 0.05 . The results in this MPEA show strong dependence on environment, originating from local lattice distortion associated with charge-transfer between neighboring atoms that vary with different chemical environments. We find a correlation between degree of lattice distortion and migration barrier: (Ti, Zr) with less distortion have lower barriers, while (Mo, W) with larger distortion have higher barriers, depending up local environments. Under irradiation, our findings suggest that (Ti, Zr) are significantly more likely to diffuse than (Mo, W) while Ta shows intermediate effect. Finally, material degradation caused by vacancy diffusion can be controlled by tuning composition of alloying elements to enhance creep strength at extreme operating temperatures and harsh conditions.

36 MATERIALS SCIENCE↗