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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

The Economic Impact of Battery Degradation Modelling Uncertainty

Battery energy storage systems (BESS) are used for a variety of applications, with their economic benefit often being the decisive factor for deployment. A multitude of physico-chemical aging mechanisms lead to capacity fade over a BESS life cycle. The models that are used to describe this capacity fade are prone to inherent model errors. Through a holistic techno-economic modelling approach, we investigate the impact of battery degradation modelling uncertainty on the economic benefit of representative BESS applications. Here, it is shown how improved parameter fit quality can reduce the resulting economic uncertainty. Furthermore, we highlight that the consideration of degradation modelling uncertainty is especially crucial when: (i) the cash flow highly depends on the available battery capacity, (ii) a fixed, e.g. warranty mandated, state of health limit acts as the threshold for battery end-of-life, (iii) long evaluation periods and low discount rates are the focus of economic evaluation.

aging↗
DOE OSTI2024

Formation and Microwave Losses of Hydrides in Superconducting Niobium Thin Films Resulting from Fluoride Chemical Processing

Abstract Superconducting niobium (Nb) thin films have recently attracted significant attention due to their utility for quantum information technologies. In the processing of Nb thin films, fluoride‐based chemical etchants are commonly used to remove surface oxides that are known to affect superconducting quantum devices adversely. However, these same etchants can also introduce hydrogen to form Nb hydrides, potentially negatively impacting microwave loss performance. Here, comprehensive materials characterization of Nb hydrides formed in Nb thin films as a function of fluoride chemical treatments is presented. In particular, secondary‐ion mass spectrometry, X‐ray scattering, and transmission electron microscopy reveal the spatial distribution and phase transformation of Nb hydrides. The rate of hydride formation is determined by the fluoride solution acidity and the etch rate of Nb 2 O 5, which acts as a diffusion barrier for hydrogen into Nb. The resulting Nb hydrides are detrimental to Nb superconducting properties and lead to increased power‐independent microwave loss in coplanar waveguide resonators. However, Nb hydrides do not correlate with two‐level system loss or device aging mechanisms. Overall, this work provides insight into the formation of Nb hydrides and their role in microwave loss, thus guiding ongoing efforts to maximize coherence time in superconducting quantum devices.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Suppressing Structural Relaxation in Nanoscale Antimony to Enable Ultralow‐Drift Phase‐Change Memory Applications

Abstract Phase‐change random‐access memory (PCRAM) devices suffer from pronounced resistance drift originating from considerable structural relaxation of phase‐change materials (PCMs), which hinders current developments of high‐capacity memory and high‐parallelism computing that both need reliable multibit programming. This work realizes that compositional simplification and geometrical miniaturization of traditional GeSbTe‐like PCMs are feasible routes to suppress relaxation. While to date, the aging mechanisms of the simplest PCM, Sb, at nanoscale, have not yet been unveiled. Here, this work demonstrates that in an optimal thickness of only 4 nm, the thin Sb film can enable a precise multilevel programming with ultralow resistance drift coefficients, in a regime of ≈10 −4 –10 −3 . This advancement is mainly owed to the slightly changed Peierls distortion in Sb and the less‐distorted octahedral‐like atomic configurations across the Sb/SiO 2 interfaces. This work highlights a new indispensable approach, interfacial regulation of nanoscale PCMs, for pursuing ultimately reliable resistance control in aggressively‐miniaturized PCRAM devices, to boost the storage and computing efficiencies substantially.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Forecasting battery capacity and power degradation with multi-task learning

Lithium-ion batteries degrade due to usage and exposure to environmental conditions, which affects their capability to store energy and supply power. Accurately predicting the capacity and power fade of lithium-ion battery cells is challenging due to intrinsic manufacturing variances and coupled nonlinear ageing mechanisms. In this paper, we propose a data-driven prognostics framework to predict both capacity and power fade simultaneously with multi-task learning. The model is able to predict the degradation trajectory of both capacity and internal resistance together with knee-points and end-of-life points accurately at early-life stage. The validation shows an average percentage error of 2.37% and 1.24% for the prediction of capacity fade and resistance rise, respectively. The model's ability to accurately predict the degradation, facing capacity and resistance estimation errors, further demonstrates the model's robustness and generalizability. Compared with single-task learning models for forecasting capacity and power degradation, the model shows a significant prediction accuracy improvement and computational cost reduction. This work presents the highlights of multi-task learning in the degradation prognostics for lithium-ion batteries.

25 ENERGY STORAGE↗
DOE OSTI2020

Effects of charging rates on LiNi 0.6 Mn 0.2 Co 0.2 O 2 (NMC622)/graphite Li-ion cells

Enabling fast charging capability of lithium-ion battery is of great importance to widespread adoption of electric vehicles. Increasing the charging rates from state-of-the-art 2C (30 min) to 6C (10 min) requires deep understanding on the cell aging mechanism. Here, 400 mAh pouch cells are cycled at 1C, 4C and 6C charging rates with 1C discharging rate. Capacity fading, cathode structural changes, Li inventory loss, electrolyte composition changes and Li plating on graphite electrodes are thoroughly studied by various characterization techniques. The rapid capacity fading in cells at 6C charging rate is mainly due to Li inventory loss from cathode structure and metallic Li plating on graphite electrode at higher charging rate. Post-mortem analysis also revealed changes in electrolyte such as increased salt molarity and transesterification during fast charging.

25 ENERGY STORAGE↗
DOE OSTI2025

Assessment of irradiation embrittlement effect on fatigue life of a pressurized-water reactor pressure vessel using the fracture toughness master curve approach

The reactor pressure vessel (RPV) is a critical structural component in pressurized-water reactors, and it is designed to withstand extreme conditions, such as high pressures, elevated temperatures, and prolonged radiation exposure. Ensuring RPV integrity is essential for the safe and reliable long-term operation of nuclear power plants, especially as aging mechanisms such as fatigue and irradiation embrittlement pose increased risks. Fatigue, caused by cyclic thermal and mechanical loading, can lead to crack initiation in localized high-stress regions. Simultaneously, neutron irradiation, particularly in the beltline region, progressively reduces fracture toughness, increasing susceptibility to brittle fracture. These combined effects of fatigue and irradiation embrittlement potentially impact the RPV structural integrity, necessitating fitness-for-service assessments. This study applies the fracture toughness master curve approach to evaluate the impact of irradiation embrittlement on RPV fatigue life. A coupled thermo-mechanical stress analysis identifies critical stress locations under normal service transients, pinpointing regions most vulnerable to fatigue crack initiation and growth. Stress intensity factors for postulated flaws at these locations are calculated, enabling an assessment of fatigue life under irradiated and unirradiated conditions. The results indicate that neutron irradiation embrittlement accelerates the conditions in which a critical crack can form and lead to failure, particularly at lower temperatures. The failure occurs where reduced fracture toughness limits the material’s resistance to crack growth. Axial cracks at nozzle corners are the most life limiting without irradiation, while circumferential cracks demonstrate longer fatigue lives. The findings highlight the importance of incorporating irradiation effects into fatigue life predictions to ensure the long-term structural integrity of RPVs.

22 - GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2022

Electrolytes for high-voltage lithium batteries

Here, in the aim of achieving higher energy density in lithium ion batteries (LIBs), both industry and academia show great interests in developing high-voltage LIBs (>4.3 V). However, increasing the charge cut-off voltage of the commercial LIBs causes severe degradations of both the positive electrode materials and the conventional LiPF 6 -oragnocarbonate electrolytes. Consequently, LIBs using conventional LiPF 6 -organocarbonate electrolytes suffer from a short cycle life when operated at higher charge cut-off voltages. In this review, the aging mechanisms associated with high-voltage LIBs will be analyzed and the countermeasures from the electrolyte design will be discussed.

25 ENERGY STORAGE↗
DOE OSTI2021

Magnetohydrodynamic Control of Interfacial Degradation in Lithium-Ion Batteries for Fast Charging Applications

Interfacial anodic degradation in graphitic materials under fast charging conditions causes severe performance loss and safety hazard in lithium ion batteries. We present a novel method for minimizing the growth of these aging mechanism by application of an external magnetic field. Under magnetic field, paramagnetic lithium ions experience a magnetohydrodynamic force, which rotates the perpendicularly diffusing species and homogenizes the ionic transport. This phenomenon minimizes the overpotential hotspots at the anode/separator interface, consequently reducing SEI growth, lithium plating, and interfacial fracture. In situ electrochemical measurements indicate an improvement in capacity for lithium cobalt oxide/graphite pouch cell (20 mAh) charged from 1–5 C under an applied field of 1.8 kG, with a maximum capacity gain of 22% at 5C. Post-mortem FE-SEM and EDS mapping shows that samples charged with magnetic field have a reduced lithium deposition at 3C and a complete suppression of interfacial fracture at 5C. At 5C, a 24% reduction in the lithium content is observed by performing XPS on the anodic interfacial film. Finally, fast charging performance under variable magnetic field strengths indicate a saturation behavior in capacity at high fields (>2 kG), thereby limiting the field and consequent energy requirements to obtain maximum capacity gain under extreme conditions.

electromagnetism↗
DOE OSTI2026

Spectro-Microscopic Analysis of Soot Particle Composition and Source Attribution

Ambient soot particles significantly impact Earth’s radiative balance, human health, and atmospheric visibility. Their microstructural properties depend on formation and aging mechanisms, which vary by emission source and atmospheric processes. Hence, accurately identifying sources of soot enhances our understanding of their physicochemical properties and atmospheric implications. This study used a multi-modal approach to characterize and attribute sources of submicron soot particles collected in Israel during new particle formation events, biomass burning episodes, and background atmospheric conditions. Synchrotron-based X-ray microscopy was used to map soot (elemental carbon), organic carbon, and inorganic species. Implemented atomic force microscopy showed highly diverse phase states, with soot consistently exhibiting a solid-like phase. Automated µ-Raman analysis was subsequently performed on ~690 particles, identifying three soot classes based on spectral features corresponding to the "Defect" (D) and "Graphite" (G) bands of soot. We applied two-peak and five-peak fitting approaches to deconvolute the “Defect” peaks (D1, D2, D3, and D4) and G band from average Raman, revealing varying degrees of graphitic order. The degree of graphitic order was determined from metrics such as the D3 peak area, often observed when soot was internally mixed with organic material. Raman spectral features, along with temporal variations in particle classes contributions, suggest that Particle Type 1 corresponds to traffic related soot and Particle Type 2 to less graphitic soot from biomass burning, while Particle Type 3 is associated with more heterogeneous particulate representative of soot-OC mixtures emitted during new particle formation and biomass burning episodes.

Rivera-Adorno, Felipe (ORCID:0000000273557999)↗
DOE OSTI2025

Lithium-Ion Batteries with Lithium Manganese Iron Phosphate Cathodes and Lithium Titanate Anodes: Linking Electrode Dynamics to Cell Performance

This study examines the electrochemical performance, impedance behavior, and aging mechanisms of lithium-ion cells pairing lithium manganese iron phosphate (LiMn 0.6 Fe 0.4 PO 4 , LMFP64) cathodes with lithium titanate (Li 4 Ti 5 O 12 , LTO) anodes. LMFP64 half-cells display distinct Fe and Mn redox plateaus at ∼3.5 and ∼4.1 V, respectively, and deliver excellent rate capability. Three-electrode measurements show that LMFP64 dominates cell impedance, which changes sharply across the Fe–Mn redox transition and decreases with increasing temperature (30 °C–50 °C). Voltage hysteresis arises mainly from the cathode, with higher C-rates shortening redox plateaus and broadening the transition region. Elevated temperature lowers impedance, especially near the Mn-redox and transition regions, but accelerates capacity fade. Post-cycling analyses of electrodes confirm structural stability of LMFP64 and indicate loss of lithium inventory (LLI) as the source of capacity fade. This LLI causes potential slippage between the LMFP64 and LTO electrodes, which decreases the Fe-redox plateau width. Long-term cycling highlights the critical role of electrode overhang: cathode overhang mitigates capacity fade by buffering lithium loss, whereas anode overhang cells experience faster capacity decline due to uncompensated lithium depletion. These results clarify LMFP64/LTO battery impedance evolution, thermal effects, and degradation pathways and provide insights for their applications in electric vehicles.

Area Specific Impedance↗
DOE OSTI2021

PyBLM (Python-based Battery Life Model) [SWR-21-50]

PyBLM is a battery life model to predict the capacity fade of two home battery energy storage systems, manufactured by LG and Tesla. The battery life model is built from experimental test data, and accounts for calendar and cycling aging mechanisms as functions of cell environmental conditions and use. PyBLM is developed in Python and formatted to work in conjunction with another NREL software named TEMPEST (Thermo-Electric Model for Powering Energy Storage Technologies).

Mishra, Partha↗
DOE OSTI2021

Development of a Reconstruction Methodology Based on X-Ray Computed Tomography to Generate Realistic 3D Concrete Microstructures in MOSAIC

Despite being passive components, concrete structures represent a major capital investment in nuclear power plants. However, some concrete components are critical for the safety and long-term operation of the reactors: the concrete containment building protects the reactors from external aggression. The concrete biological shield (CBS) contains the radiation exiting the reactor to protect equipment and personnel. Depending on the design, the CBS also has a function for supporting the reactor’s systems. This function needs to be ensured in-service and during accident scenarios. After several decades of use, the CBS is exposed to high-energy irradiation over an extended operation time, exceeding the fluence level currently considered detrimental for the concrete’s structural properties. Such conditions occur at different times depending on the reactor’s operation and design. Nevertheless, from the perspective of subsequent license application, it is mandatory to assess the potential effects of prolonged irradiation on concrete. Unlike steel components, concrete structures are built with local constituents (cement, sand, and coarse aggregates) to avoid prohibitive transportation costs. Thus, concrete performance is determined by the tolerance or the susceptibility of its constituents against any aging mechanism. The tolerance against irradiation of the CBSs may vary greatly among the 56 nuclear power plants and 93 nuclear power reactors that form the current US light-water reactor fleet. Irradiation-induced degradation is mainly a result of amorphization-induced expansions of the silicated minerals present in the aggregates. The neutron irradiation–induced expansion varies from one rock-forming mineral to another: well framework–structured silicates (e.g., quartz and feldspars) exhibit higher swelling than chained (e.g., pyroxene) or isolated silicates (e.g., garnet). Silicates make up nearly 90% of the Earth’s crust. Other common minerals present in construction aggregates are carbonates found, for example, in limestone. Irradiated carbonates exhibit only very minor expansions.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2021

MOSAIC: An Effective FFT-based Numerical Method to Assess Aging Properties of Concrete

As the nuclear fleet in the United States ages and subsequent license renewal applications grow, the prediction of concrete durability at extended operation becomes more important. To address this issue, a Fast-Fourier Transform (FFT) method is utilized to simulate aging-related degradation of concrete within the Microstructure Oriented Scientific Analysis of Irradiated Concrete (MOSAIC) software. MOSAIC utilizes compositional phase maps to simulate damage from radiation-induced volumetric expansion (RIVE), applied force, creep, and thermal expansion. This compositional detail allows each mineral in the microstructure to be assigned specific material properties, allowing the simulation to be as accurate and representative as possible. The principal goal of MOSAIC is to simulate the effects of nonlinear aging mechanisms occurring in nuclear concrete on the macroscopic mechanical properties, using only the aggregate microstructure compositional information as a starting point. Here, several realistic example simulations are shown to demonstrate the utility and uniqueness of the MOSAIC software.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Mechanical Properties of Aged A709

A709 plate is in the process of being developed and qualified through a collaboration by Argonne National Laboratory (ANL), Idaho National Laboratory (INL), and Oak Ridge National Laboratory (ORNL). The goal is to qualify A709 plate in Section III, Division 5 of the American Society of Mechanical Engineers (ASME) Boiler and Pressure Vessel Code (BPVC). This would permit the construction of A709 plate for fast-reactor structural applications. A tradeoff between creep and creep-fatigue properties was established in prior work. A processing route was identified as providing the optimal balance between creep-rupture and elevated-temperature cyclic properties for the solution annealed condition. This condition, however, resulted in a shorter than desired creep-rupture life. Aging is probed to evaluate its potential at further improving mechanical properties. Aging statically precipitates the solutes in solution prior to service. The processing routes identified as providing the best creep-rupture properties and best balance in mechanical properties are investigated. This report discloses the results from tensile, creep, and elevated-temperature cyclic testing performed at INL on the aged material. The aged properties are compared to solution annealed properties. A709 offers improvement in performance compared to 316H particularly at high temperatures; 316H is a material qualified in Section III, Division 5 of the ASME BPVC. For certain high-temperature fast-reactor design conditions, 316H cannot be used while A709 can.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2025

CALPHAD-based ICME design of single-step aging to enhance mechanical strength of WAAM Haynes 282

To match the strength of wire-arc additive manufactured Haynes 282 to its wrought counterpart via a single-step aging heat treatment, the CALPHAD (Calculation of Phase Diagrams) method is integrated with physics-based process-structure-property models and experimental validation. The integrated computational materials engineering (ICME) framework simulates the effects of aging on γ′ and M 23 C 6 precipitation and the resulting yield strength. To improve simulation reliability, the interfacial energies between γ/γ′ and γ/M 23 C 6 carbides were estimated by comparison with precipitation kinetic modeling and measured precipitate sizes. γ′ and M23C6 were found to precipitate simultaneously between 640 and 860 °C, producing microstructures similar to those produced by two-step aging. The optimal γ′ size for peak yield stress was calculated to be 20–23 nm. WAAM Haynes 282 aged at 780 °C for 50 h exceeded the mechanical performance of its wrought counterpart subjected to two-step aging, though desired properties can also be achieved at 800 °C for 16 h or less. The error in yield strength is less than 20 MPa, demonstrating good agreement between the modeling framework and experiments. Creep studies showed that WAAM Haynes 282 exceeded the calculated rupture time, reaching 481 h. This proposed methodology can accelerate the design of aging heat treatments for any γ′-strengthened nickel-base alloy, minimizing the resources required for trial-and-error experiments.

CALPHAD↗
DOE OSTI2020

Effect of aging on failure mechanism of Alloy 709 at various temperatures

Alloy 709 is a novel austenitic stainless steel with high temperature creep strength, weldability, and corrosion resistance. These properties make the material suitable for applications in the structure of next-generation nuclear power plants. Enduring high temperatures for an extended period of time in the harsh environments of a nuclear power plant results in thermal aging of the material. Therefore, it is imperative to study the effect of thermal aging on the microstructure and mechanical properties of Alloy 709 before its application in the next generation power plants. In this study, hot-processed (forged + rolled), annealed and quenched ingots of Alloy 709 are aged at 650 °C for 2000 h in air and then tested at various temperatures up to 850 °C in an in-situ heating-loading Scanning Electron Microscope (SEM) equipped with Energy Dispersive Spectroscopy (EDS) and Electron Backscatter Diffraction (EBSD). The effect of testing temperature and aging on microstructural evolutions during tensile testing of as-received and aged samples are studied. Furthermore, both as-received and aged samples displayed serrations and drop in ductility at elevated temperatures, due to the effect of dynamic strain aging (DSA). The occurrence of DSA activity was found within temperatures range of 500 °C–750 °C in as-received and 550 °C - 650 °C in aged samples. The aged samples showed less elongation accompanied by shallower dimples on the fractured surface, indicating less ductile failure mechanism compared to as-received samples. Failure mechanism observations on the fracture surface using SEM fractography are correlated to the observations made on the sample surface using in-situ SEM to achieve a complementary set of information to better understand the failure mechanism of this novel alloy.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Collaborative Approach to Identify Degradation Mechanisms and Validate Aging Protocols for a Diverse Set of DAC Materials (TCF Base Technology-Specific Final Report)

This work supports the mission of the U.S. Department of Energy to promote American energy leadership, technological innovation, and economic growth through the development of technologies for cost effective carbon capture. While capture technologies can provide carbon dioxide for enhanced oil recovery, many capture materials suffer from oxidative, hydrolytic and/or thermal degradation which leads to capacity loss and unwanted emissions such as ammonia. Short lifetimes increase operational costs and cost studies suffer from uncertainty because the true lifetimes of many capture materials are unknown. In this study, a suite of capture materials were studied to quantify their degradation, provide insight into the mechanisms that lead to their uptake loss and provide validated accelerated aging protocols for industry.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Microstructure evolution, enhanced aging kinetics, and mechanical properties of AA7075 alloy after friction extrusion

In the present study we utilized Friction Extrusion (FE) a solid phase processing technique to produce fully consolidated dense 5 mm rods of AA7075 alloy. The combination of large shear stresses and temperatures at the tool-billet interface during the FE process resulted in the formation of dynamically recrystallized ~2.0 μm equiaxed grains and fine uniformly distributed stable η (MgZn 2 ) precipitates ~25–100 nm in size. Formation of such a microstructure resulted in lower solutionizing temperature and times (flash annealing) as compared to the conventionally extruded counterparts. Here we demonstrate for the first time that the solutionizing times for the T6 heat treatment of AA7075 can be reduced by three times using this FE process. In addition to being an energy efficient process, FE also serves to improve the performance of AA7075 alloys by retaining their strength while enhancing the ductility of the material. The tensile data for samples that were flash annealed and artificially aged after FE processing showed exceptional increase in ultimate tensile strength by over 19% and yield strength by over 59%, compared with an as-FE-processed sample.

36 MATERIALS SCIENCE↗