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51 records · Page 3

All sources NASA NTRS DOE OSTI

DOE OSTI2025

Transition metal vacancy and position engineering enables reversible anionic redox reaction for sodium storage

Triggering the anionic redox reaction is an effective approach to boost the capacity of layered transition metal (TM) oxides. However, the irreversible oxygen release and structural deterioration at high voltage remain conundrums. Herein, a strategy for Mg ion and vacancy dual doping with partial TM ions pinned in the Na layers is developed to improve both the reversibility of anionic redox reaction and structural stability of layered oxides. Both the Mg ions and vacancies (□) are contained in the TM layers, while partial Mn ions (~1.1%) occupy the Na-sites. The introduced Mg ions combined with vacancies not only create abundant nonbonding O 2p orbitals in favor of high oxygen redox capacity, but also suppress the voltage decay originated from Na–O–□ configuration. The Mn ions pinned in the Na layers act as “rivets” to restrain the slab gliding at extreme de-sodiated state and thereby inhibit the generation of cracks. The positive electrode, Na 0.67 Mn 0.011 [Mg 0.1 □ 0.07 Mn 0.83 ]O 2 , delivers an enhanced discharge capacity and decent cyclability. This study provides insights into the construction of stable layered oxide positive electrode with highly reversible anionic redox reaction for sodium storage.

Cai, Congcong [Wuhan Univ. of Technology (China)]↗

DOE OSTI2023

Ferroelectricity in hafnia controlled via surface electrochemical state

Ferroelectricity in binary oxides including hafnia and zirconia has riveted the attention of the scientific community due to the highly unconventional physical mechanisms and the potential for the integration of these materials into semiconductor workflows. Over the last decade, it has been argued that behaviours such as wake-up phenomena and an extreme sensitivity to electrode and processing conditions suggest that ferroelectricity in these materials is strongly influenced by other factors, including electrochemical boundary conditions and strain. Here we argue that the properties of these materials emerge due to the interplay between the bulk competition between ferroelectric and structural instabilities, similar to that in classical antiferroelectrics, coupled with non-local screening mediated by the finite density of states at surfaces and internal interfaces. Via the decoupling of electrochemical and electrostatic controls, realized via environmental and ultra-high vacuum piezoresponse force microscopy, we show that these materials demonstrate a rich spectrum of ferroic behaviours including partial-pressure-induced and temperature-induced transitions between ferroelectric and antiferroelectric behaviours. In conclusion, these behaviours are consistent with an antiferroionic model and suggest strategies for hafnia-based device optimization.

36 MATERIALS SCIENCE↗

DOE OSTI2022

Strain-retardant coherent perovskite phase stabilized Ni-rich cathode

The use of state-of-the-art Ni-rich layered oxides (LiNi x Co y Mn 1-x-y O 2 , x > 0.5) as the cathode material for lithium-ion batteries can push the energy and power density to a higher level than is currently available. However, volume variation associated with anisotropic lattice strain and stress that is being developed during lithium (de) intercalation induces severe structural instability and electrochemical decay of the cathode materials, which is amplified further when the battery is operating at a high voltage (above 4.5 V), which is essential for unlocking its high energy. Even after much effort by the research community, an intrinsic strain-retardant method for directly alleviating the continuous accumulation of lattice strain remains elusive. By introducing a coherent perovskite phase into the layered structure functioning as a ‘rivet’, we significantly mitigate the pernicious structural evolutions by a pinning effect. The lattice strain evolution in every single cycle is markedly reduced by nearly 70% when compared with conventional materials, which significantly enhances morphological integrity leading to a notable improvement in battery cyclability. This strain-retardant approach broadens the perspective for lattice engineering to release the strain raised from lithium (de)intercalation and paves the way for the development of high-energy-density cathodes with long durability.

25 ENERGY STORAGE↗

DOE OSTI2022

Uncertainty Quantification for Dissimilar Material Joints Under Corrosion Environment

Abstract Self-Piercing Riveting (SPR) is one of the most commonly used methods for joining dissimilar materials in the automotive industry. These joints are popular due to their adaptability, high performance and short cycle time. However, since these joints involve two dissimilar materials, they are susceptible to galvanic corrosion in the presence of an electrolyte which is driven by the difference in the equilibrium potential of the metals. This can affect the safety and resilience of these joints. In this paper, we focus on galvanic corrosion in Al-Fe SPR joints. A Machine learning (ML) based surrogate model, which is based off of FE simulations, for statistical corrosion analysis is developed. This model enables the resilience and reliability analysis of SPR joints under corrosion environment. In this study, first a physics-based finite element (FE) corrosion model has been developed to simulate the galvanic corrosion between a Fe cathode and an Al anode of a SPR joint. This model takes into account the effect of the crystal microstructure of the Al anode and the precipitation of the corrosion product. Several geometric and environmental factors including crevice gap, roughness of anode, conductivity, pH and the temperature of the electrolyte that effect corrosion are investigated. A thorough Uncertainty Quantification (UQ) analysis is conducted for the overall corrosion behavior of the Fe-Al SPR joints using a novelistic Probabilistic Confidence-Based Adaptive Sampling (PCAS) technique. PCAS is used to train the surrogate model by identifying the critical sampling points and thus reducing the overall computational costs. It is found that the electrolyte temperature has the largest effects on the material loss and needs to be managed closely for better corrosion control. By understanding the corrosion performance and resultant uncertainty impact on SPR joints, the reliability and resilience of these joints can be improved.

36 MATERIALS SCIENCE↗

DOE OSTI2026

Polarized Deep-Inelastic Scattering with Spin Correlations in Herwig 7

This repository is the research software and reproducibility companion for the HerwigPol polarized deep-inelastic scattering implementation developed for Herwig 7. It brings together the modified Herwig and ThePEG source snapshots, the curated POLDIS fixed-order reference code, the custom Rivet analyses, the DIS validation workflow, and the paper source in a single formal repository layout. The repository is intended to preserve the source-level ingredients needed to rebuild and re-run the validated DIS studies. It therefore tracks code, input cards, workflow drivers, and technical notes, while intentionally excluding generated artifacts such as build products, campaign outputs, merged YODA files, plots, and rendered paper outputs.

Papaefstathioou, Andreas [Kennesaw State Universit↗

DOE OSTI2021

Corrosion Protection and Dissimilar Material Joining for Next Generation Lightweight Vehicles

The Arconic Technology Center working with Honda R&D Americas, LLC and the Ohio State University evaluated the corrosion performance of several multi-material conditions and demonstrated the production worthiness of the Resistance Spot Riveting (RSR™) process. RSR is a new technology being developed by Howmet Fastening Systems (formerly Arconic, Inc.) that employs a fastener that is installed using conventional resistance spot welding equipment to produce multi-material joints. The goal of the 3-year project was to demonstrate the use of RSR to join aluminum to steel and aluminum to carbon fiber composites on a prototype scale. Deployment of this technology would help the automotive industry achieve an additional 10 to 20% weight reduction over high strength steels. These weight-savings to the body in white generally translates to 2.5-5.0% of overall vehicle curb weight. The resulting total weight-savings could provide a 1.5% to 3.0% total improvement in fuel efficiency for vehicles that incorporate RSR for multi-material joining. The RSR technology addresses several production barriers to achieving DOE’s fuel efficiency targets including eliminating the need of additional capital for new joining technologies and the flexibility to process conventional steel and multi-material structures with the same equipment. Additionally, the trend towards ultra-high strength steels limits the availability of conventional joining technologies that can effectively process these multi-material combinations. In order to accomplish these goals, the following program milestones were completed by the team: 1) Developed RSR process parameters, producing multi-material joints for mechanical testing and corrosion assessments. 2) Conducted corrosion evaluation of RSR and baseline joints assembled between automotive type aluminum alloys, steels, and carbon fiber using several corrosion mitigation strategies. 3) Developed a production ready feed system and integrate into a robotic resistance spot welding station to simulate automotive production conditions. 4) Produced demonstration assemblies for testing and evaluation.

36 MATERIALS SCIENCE↗

DOE OSTI2023

Local Modification of Cast Aluminum Alloys via the Cast-and-Print Process

Casting of aluminum alloys is a cost-effective way to mass manufacture bulk aluminum parts for automotive applications. However, the casting process requires filling of a mold, which imposes some limitations on the geometries that can be successfully cast and limits parts to be a uniform material. Therefore, we proposed that a hybrid casting plus additive manufacturing approach, Cast-and-Print, which could be used to locally modify the properties and geometry of cast parts to create difficult-to-cast, functional features. Here, we report the results of the properties of deposited materials on cast substrate, the properties of the interface of the deposited and cast material, and the application of the Cast-and-Print method to deposit rivet tabs on high-pressure die cast plates. Ultimately, the approach appears viable, but there are engineering challenges present to reliable additive processing of aluminum wires that need to be overcome for successful implementation of the technology.

42 ENGINEERING↗

DOE OSTI2024

Optimizing Aluminum Bonding: Exploring Surface Roughness and Contact Angle Effects through Plasma and Acid Etching Contrasts

The use of adhesives to replace traditional techniques like welding and riveting has been on the rise in various industries as increasingly complex geometries and situations for bonding is required. It’s well known in the scientific community that an adhesive bond is only as efficient as the surface preparation used beforehand. Plasma treatments have been shown to gently clean the surface by only removing the top-most layer from the adherend and “charging” the surface instead of berating it. Whereas chemical treatments “etch” the surface in hopes of increasing surface area by increasing surface roughness. This method can be difficult to control quantitatively and can generate waste leading to serious environmental concerns. This study aims to address the encountered differences between plasma treatments and acid etching on aluminum substrates for adhesive bonding. Treating the surface of adherends plays a crucial role in promoting a good bond between adhesive and adherend. In this study, the effects of plasma and acid treatments are categorized using surface roughness measurements as well as contact angle which have been shown to correlate to mechanical strength. When evaluating different surface treatments, it is notable to mention that not only surface roughness and contact angle play a role in determining which method is most effective but also the consequences of the treatment itself. It was found that although chemical etching was the most effective in increasing roughness and decreasing contact angle, it generates a large amount of waste and is not sustainable compared to plasma work which uses a renewable process. The results from this work provide a deeper understanding of the relationship between surface treatments and surface roughness/contact angle and how this relates to a stronger adhesive bond.

36 MATERIALS SCIENCE↗

DOE OSTI2024

Optimizing Aluminum Bonding: Exploring Surface Roughness and Contact Angle Effects through Plasma and Acid Etching Contrasts.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2024

Extending Ultrasonic Welding Techniques to New Material Pairs (FY 2023 Annual Progress Report)

Modern multimaterial vehicles require joining of various lightweight materials, such as aluminum (Al) and magnesium (Mg) alloys and carbon fiber reinforced polymers (CFRP), with advanced high-strength steels together to form a high-performance and lightweight body structure. A variety of joining methodologies (e.g., resistance spot welding, adhesive bonding, linear fusion welding, hemming, clinching, bolting, riveting) have been attempted by the automotive industry to join different materials. Often, these joining techniques are limited to only certain material combinations. For capital and operational cost, automobile original equipment manufacturers need to limit the number of joining technologies implemented on an assembly line.

36 MATERIALS SCIENCE↗

DOE OSTI2024

High Velocity Joining of Multi-material Stacks Containing 3rd Generation Advanced High-Strength Stainless Steel and Aluminum Extrusion and Casting (Abstract)

Advanced lightweight materials, including multi-phase steels, aluminum extrusions and aluminum castings, have increasingly replaced mild steel to meet original equipment manufacturer (OEM) demand for increased fuel economy and crash-safety requirements. Third Generation (Gen 3) AHSS provides a superior combination of strength and ductility for crash energy management components in the vehicle body-in-white (BIW). Aluminum extrusions are widely used for bumper, door rocker panel, cradle and battery frame applications. Aluminum castings are increasingly being used in electric vehicles to provide part consolidation, weight saving and increased driving range. Rocker panels are, for example, an important component of the battery electric vehicle (BEV) body structure. The rocker panel serves several purposes, including structural support, crash resistance, protection for the vehicle's underbody and battery tray, and contributing to the overall aesthetics. In order to reduce weight, rocker panels are usually constructed using outer panels consisting of 3rd generation advanced high strength steels (AHSS) and an inner multicell aluminum extrusion structure for energy absorption which protects the batteries in a crash event. It is well known, however, that these material combinations provide significant challenges for joining and are susceptible to liquid metal embrittlement and loss of strength. The overall goal is to find a solution that addresses these challenges in order to produce multi-material vehicle components with reduced weight and minimal galvanic and recyclability issues. The approach being proposed here is to utilize a novel high velocity (HiVe) riveting and clinching technique recently demonstrated by Pacific Northwest National Laboratory (PNNL) to join (2T/3T) sheets of aluminum alloys and steel. This process will not only address the aforementioned challenges but also help significantly reduce the joining cycle time. This work will also demonstrate use of HiVe assemblies to be retrofitted to existing body-shop robots thus having minimal impact to existing body shop operations.

36 MATERIALS SCIENCE↗

DOE OSTI2025

Develop a new integrated macro→micro←nano (MMN) multiscale modeling framework to optimize high strength aluminum alloys and processes for vehicle light-weighting

Bending tests provide a means to study plane strain fracture performance of 6000 series aluminum alloys. Metrics from bending tests have been correlated with self-pierce riveting (SPR) performance of a high strength AA6111 automotive aluminum alloy in previous works. Using the ORNL HPC resources, this project developed an innovative macro→micro←nano (MMN) multiscale microstructure-based finite element (FE) code to further understanding of the relationship between microstructure and fracture properties of high-strength 6000-series alloys. This work started with microstructural characterization in both mesoscale and nanoscale and bending performance characterization of AA6111 HS2-T6 alloy at Ford, the MMN framework was applied to this alloy to simulate 3-point VDA bending. From the results of the macro-modeling of 3-point VDA bending, the critical region of fracture was identified, and the region geometry was used to construct the micro-model. The fracture criterion of micron-scale precipitates and aluminum matrix which contains submicron and nano particles (AL-SMP-NP) in the micro-model was calibrated and validated by comparing simulated and measured bending results. With the AL-SMP-NP fracture strain obtained, the fracture strain of Al-matrix containing nano particles (ALNP) will similarly be determined by a submicron scale-model using an edge-constrained FE modeling approach developed by Hu et al. With the ALNP fracture strain obtained, the fracture strain of Al-matrix containing no particles will similarly be determined by a nano scale-model using an edge-constrained FE modeling approach. After the MMN framework is built and fracture criterion calibrated, nano-model FE simulations with virtual microstructures was performed to obtain a reduced order model (ROM) of the fracture criterion of the ALNP as a function of volume fraction, size, and distribution of the nanoparticle. This nano→submicron→micro modeling part allows exploration of the influence of different material nanostructures from different process conditions on the bending properties within the multiscale bending simulation framework and the ROM of material bendability as a function of nanoparticle size and shape was established. This obtained reduced order model (ROM) could help guide the design and selection of materials to improve existing SPR process models that could replace trial-and-error rivet/die selection and help to design new rivet/die combinations capable of robustly joining new higher strength 6000 5 series alloys in automotive body structures. This would enable lightweighting of Ford vehicles leading to greater fuel efficiency and reduce manufacturing time and energy.

36 MATERIALS SCIENCE↗

DOE OSTI2025

Macro-micro multiscale modeling to assist the design of HPDC Al castings microstructure and alloys for EV super-large body structures (Phase 1)

Implementation of High Pressure Die Casting (HPDC) Aluminum (Al) body structures for high volume electrified vehicles (EV) to improve electric efficiency remains a key strategy within many original equipment manufacturers (OEM)s. In addition to high strength for safety requirements, superior Self Piercing Riveting (SPR) performance is demanded for HPDC Al alloys to be compatible with high volume SPR joining. In this work, it is proposed to extend and validate an existing Contractor finite element multiscale macro-micro modeling approach to quantify the influence of the microstructure of HPDC alloys on the fracture strain/displacement under 3-point bend and clinch testing. The success of this work will allow to replace solution treatment stage with low energy consumption heat treatment (HT) processes, or to design new non heat treatable (NHT) HPDC Al alloys to eliminate HT requirements. Ultimately, this project will facilitate the application of HPDC Al alloys for super-large vehicle structures to significantly reduce vehicle weight and thus improving energy efficiency. The purpose of this project is to extend and validate an existing f

99 GENERAL AND MISCELLANEOUS↗

DOE OSTI2025

Develop a new integrated macro→micro←nano (MMN) multiscale modeling framework to optimize high strength aluminum alloys and processes for vehicle light-weighting

36 MATERIALS SCIENCE↗

DOE OSTI2024

Evaluation of Corrosion and Its Impact on the Mechanical Performance of Al–Steel Joints

Aluminum–steel joints are increasingly used in the automotive industry to meet the requirements for energy saving and emission reduction. Among various joining technologies, self-pierce riveting (SPR) and resistance spot welding (RSW) are two well-established technologies for fabricating dissimilar joints with stable and high mechanical performance. However, corrosion will occur in these joints inevitably due to different electrochemical properties, which can degrade the surface quality and the mechanical performance, such as strength. This paper presents a method of understanding the corrosion mechanisms in joining aluminum and steel. For this understanding, a hybrid method combining experimental observations, mechanical properties identification, and analytical approaches was used to assess the evolution of the impact of corrosion on the joining performance, such as traction separation curves. The study was conducted on common combinations used in the vehicles, e.g., a 1.2 mm thickness aluminum alloy (AA 6022) and 2.0 mm thickness hot deep galvanized steel (HDG HSLA 340) joined by SPR and RSW. After the fabrication of these joints, accelerated cyclic corrosion tests of up to 104 cycles were performed, which reproduced the environmental conditions to which a vehicle was exposed. By investigating the microstructural evolution within the joints, the corrosion mechanisms of SPR and RSW joints were revealed, including the initiation and propagation. Moreover, the intrinsic impact of the corrosion on the mechanical performance, including the strength, axial stiffness, and crashworthiness, was analyzed by performing a lap-shear test. It showed that as corrosion proceeds, the fracture modes and mechanical performance are affected significantly.

Chemistry↗