Boosting Reversibility of Mn-Based Tunnel-Structured Cathode Materials for Sodium-Ion Batteries by Magnesium Substitution
Explore the source record for details and available documents.
99 GENERAL AND MISCELLANEOUS↗
SEARCH · Engineering Papers
Results for “structural material”
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.
Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.
Focused Ion Beam Tomography of Alloy 617 Corroded in Molten Chloride Salt
Materials qualification of reactor structural materials is a critical step in rapid implementation of advanced nuclear reactor technologies, particularly to assess the corrosion performance in these designs. Accelerated qualification of reactor structural materials requires incorporating powerful computational toolsets, such as phase field modelling in the Multiphysics Object-Oriented Simulation Environment (MOOSE) framework, to predict the evolution of structural materials due to corrosion. Accordingly, computational toolsets will require experimental data generated at appropriate length scales to validate accuracy. Focused ion beam (FIB) provides a high degree of control over manipulation of materials for analytical purposes, including capturing data on the evolution in the microstructure and elemental composition of materials at the mesoscale, an appropriate length scale for phase field modelling of intergranular diffusion phenomena using the MOOSE framework. For instance, the FEI Helios G4 UX dual beam plasma FIB microscope at the Irradiated Materials Characterization Laboratory (IMCL) is capable of backscatter diffraction (EBSD) and energy-dispersive x-ray spectroscopy (EDS) documenting the evolution in the microstructure and elemental composition, respectively. The Helios can perform EDS and EBSD three-dimensionally (3D) using tomography, which is then combined using different software packages to visualize 3D volumes correlating elemental composition to microstructural data. The purpose of this investigation was to develop a streamlined characterization and data processing workflow for 3D tomography studies on the FEI Helios G4 plasma FIB. The investigation is segmented into three parts: 1) Optimizing the data collection workflow, 2) identifying appropriate data processing and visualization software (i.e. DREAM.3D, MIPAR, and VGStudioMax), and 3) establishing an infrastructure for public release. The optimization of the data collection workflow is in collaboration with members of the U220 department to setup formal training on the tomography operation of the G4, through ThermoFisher Scientific, and exploring DREAM.3D, MIPAR, and VGStudioMax data processing/visualization software packages. VGStudioMax currently demonstrates the most promise for future use. Optimization of the data collection and processing workflow is still ongoing. A collaboration with INL High Performance Computing (HPC) established an open-source license for expediting the public release of FIB tomography datasets through HPC. FIB tomography data generated by the G4 will provide comprehensive data for validating 3D phase field mesoscale modelling tools within the MOOSE framework for accelerated qualification of reactor structural materials.
Copeland-Johnson, Trishelle↗
Guest-Controlled Incommensurate Modulation in a Meta-Rigid Metal–Organic Framework Material
Structural transitions of host systems in response to guest binding dominate many chemical processes. We report an unprecedented type of structural flexibility within a meta-rigid material, MFM-520, which exhibits a reversible periodic-to-aperiodic structural transition resulting from a drastic distortion of a [ZnO 4 N] node controlled by the specific host–guest interactions. The aperiodic crystal structure of MFM-520 has no three-dimensional (3D) lattice periodicity but shows translational symmetry in higher-dimensional (3 + 2)D space. In this work, we have directly visualized the aperiodic state which is induced by incommensurate modulation of the periodic framework of MFM-520·H 2 O upon dehydration to give MFM-520. Filling MFM-520 with CO 2 and SO 2 reveals that, while CO 2 has a minimal structural influence, SO 2 can further modulate the structure incommensurately. MFM-520 shows exceptional selectivity for SO 2 under flue-gas desulfurization conditions, and the facile release of captured SO 2 from MFM-520 enabled the conversion to valuable sulfonamide products. MFM-520 can thus be used as a highly efficient capture and delivery system for SO 2 .
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
Nano Filters for Selective Metal Capture (CRADA Final Report)
As part of the Cyclotron Road program, Sunchem investigated novel nanoporous materials and their metal extraction performance in both batch and dynamic continuous flow operations. The proposed project developed novel nanoporous materials for selective metal extraction from complex industrial mixtures. The technical objectives were to synthesize and characterize the nanoporous materials, structure the nanoporous materials with binders along with structuring techniques and evaluate its performance in both a batch and dynamic continuous flow operation. The nanoporous material was structured through a disc granulation method to obtain particles in the size range of 250 to 500 micron diameter. This structured material was packed into a continuous flow column which achieved up to 48 wt% of gold capture. This work aimed to address the key technical risk of the materials’ capability to be employed in an industrial operation with competitive performance compared to other adsorbents.
36 MATERIALS SCIENCE↗
Corrosion resistive materials, systems, and methods of forming and using the materials and systems
A method to reduce corrosion rates of materials at high temperatures may include heating a mixture and applying the heated mixture to a material to be rendered thermodynamically noble. The mixture may include carbon monoxide and carbon dioxide and the material rendered thermodynamically noble may include copper or other material having similar physical properties. The copper or other similar material may be applied to a structural material and provide a surface interfacing with the mixture of carbon monoxide and carbon dioxide to prevent corrosion of the structural material. In some cases, the structural material may form a heat exchanger defining passageways for a working fluid of a power system and/or may form other passageways of the power system. The copper may be applied to the passageways as a protective coating and then made thermodynamically noble at high temperatures after interactions with the mixture of carbon monoxide and carbon dioxide.
Anderson, Mark↗
Property optimized energy absorber for automotive bumpers utilizing multi-material and structural design strategies
This study proposes a novel design for automotive bumper using optimized lattice structures and multi-materials to balance low-speed collision and high-speed pedestrian impact performance. Different blends of 20 % carbon fiber-reinforced acrylonitrile butadiene styrene with thermoplastic polyurethane were used to tailor material properties. The energy absorber features lattice structures with customized mechanical responses, created by varying the incline angle θ from 0 to 180°. We conducted 576 finite element simulations on a half-scale model to optimize energy absorption and stiffness, leading to 66 optimized designs that met both low-speed and high-speed impact criteria. Two sub-scale optimized energy absorbers with different peak forces—both meeting low-speed impact requirements—were 3D printed and validated through drop-weight testing. The one with lower peak stress demonstrated a more compliant response, exhibiting approximately 90 % lower initial peak force and an increase in energy absorption of around 33 % (from 24 J to 32 J). Compared to the baseline triangular lattice, the optimized absorber increased energy absorption by 68 % from (19 J to 32 J) and reduced peak stress by 70 %. It also showed near-complete recovery with minimal fractures, making it suitable for repeated use. This design improves safety while offering a lightweight, durable, and cost-effective bumper system.
36 MATERIALS SCIENCE↗
Initial development of an in-situ, passive material surveillance test article for monitoring high temperature reactor structural components
This report describes the development of a family of passively-actuated surveillance test articles, suitable for use in an in-situ reactor test program monitoring the degradation in structural material properties caused by the reactor environment. The test articles apply creep-fatigue-type cyclic load to a test section driven by changes in the reactor coolant temperature converted to mechanical force by differential thermal expansion. The report describes three types of test articles, all of which apply the load to a 316H test section using Alloy 617 as the driver material. The three types of specimens each serve a unique purpose: (1) initial proof-of-concept, (2) validation of the models used to size the specimens to achieve a given strain range, and (3) demonstration that the articles can be miniaturized for use in an actual operating reactor. In addition to the specimen design, fabrication, and testing, this report describes the outline of two types of in-situ monitoring programs, using the test article. Monitoring programs such as these could be a critical component in gaining regulator acceptance for Molten Salt Reactor (MSR) designs using structural materials for which there is little long-term experimental environmental testing or operating experience available for calibrating the component structural design.
22 GENERAL STUDIES OF NUCLEAR REACTORS↗
Robust design of semi-automated clustering models for 4D-STEM datasets
Materials discovery and design require characterizing material structures at the nanometer and sub-nanometer scale. Four-Dimensional Scanning Transmission Electron Microscopy (4D-STEM) resolves the crystal structure of materials, but many 4D-STEM data analysis pipelines are not suited for the identification of anomalous and unexpected structures. This work introduces improvements to the iterative Non-Negative Matrix Factorization (NMF) method by implementing consensus clustering for ensemble learning. We evaluate the performance of models during parameter tuning and find that consensus clustering improves performance in all cases and is able to recover specific grains missed by the best performing model in the ensemble. The methods introduced in this work can be applied broadly to materials characterization datasets to aid in the design of new materials.
Bruefach, Alexandra (ORCID:0000000209323477)↗
Assessing the interfacial corrosion mechanism of Inconel 617 in chloride molten salt corrosion using multi-modal advanced characterization techniques
The United States Department of Energy (DOE) has committed to expanding the domestic clean energy portfolio in response to the rising challenges of energy security in the wake of climate change. Accordingly, the construction of a series of Generation IV reactor technologies are being demonstrated, including sodium-cooled, small modular, and molten chloride fast reactors (MCFRs). To date, there are no fully qualified structural materials for constructing MCFRs. A number of commercial structural alloys have been considered for the construction of MCFRs, including alloys from the Inconel and Hastelloy series. Informed qualification of structural materials for the construction of MCFRs in the future can only be ensured by expanding the current fundamental knowledgebase of information pertaining to material performance under environmental stressors relevant to operation of the reactor, including corrosion susceptibility. The purpose of this investigation is to illustrate how a correlative multi-modal electron microscopy characterization approach, including the novel application of focused-ion beam 3D reconstruction capabilities, can elucidate the corrosion mechanism of a candidate structural material Inconel 617 for MCFR in NaCl-MgCl 2 eutectic salt at 700°C for 1,000 h. Evidence of intergranular corrosion, Ni and Fe dealloying, and Cr-O enrichment along the grain boundary, which most likely corresponds to Cr 2 O 3 , is a phenomenon that has been documented in other Ni-based superalloys exposed to chloride molten salt systems. Additional corrosion products, including the formation of insoluble MgAl 2 O 4 , within the porous network produced by the salt attack is a novel observation. In addition, Mo 3 Si 5 and τ 2 precipitates are detected in the alloy bulk and are dissolved by the salt. Furthermore, the lack of detection of design γ' precipitates in Inconel 617 after 1,000 h could indicate that the molten salt corrosion mechanism has indirectly induced a phase transformation of Al 2 TiNi (τ 2 ) and Ni 3 (Al,Ti) (γ’) phase. This investigation provides a comprehensive understanding of molten salt corrosion mechanisms in a complex material system such as a commercial structural alloy for applications in MCFRs.
36 MATERIALS SCIENCE↗
FAIR Data and Interpretable AI Framework for Architectured Metamaterials
Our interdisciplinary effort successfully generated FAIR (Findable, Accessible, Interoperable, and Reusable) benchmark datasets for mechanical metamaterials while introducing a novel Artificial Intelligence (AI) framework known as Learning Refined Compositional Rules (LRCR). This framework was specifically designed to bridge the gap across varying computational length scales and extract the underlying physical mechanisms that connect a material's structural geometry to its bulk acoustic properties. Historically, the discovery of such structured materials relied heavily on human intuition or opaque, black-box optimization algorithms that were difficult to generalize. By combining interpretable machine learning techniques with rigorous experimental validation, this project established clear, generalizable design guidelines for tuning wave dispersion and controlling vibrations. Ultimately, the public availability of these structured datasets and algorithms will significantly reduce computational costs and accelerate the design of advanced multi-functional acoustic devices, offering broad societal impacts across fields like aerospace engineering, telecommunications, and biomedical implant design.
36 MATERIALS SCIENCE↗
Report on Evolution of Inconel 718 Following HFIR Irradiation
The report presents the microstructure and mechanical properties of 3D printed Inconel 718 after irradiation in the High Flux Isotope Reactor (HFIR) at Oak Ridge National Laboratory (ORNL) to assess its potential use as a structural material. The structural components near the outlets of several proposed reactor cores will experience significant neutron fluxes and outlet coolant temperatures ranging from the hot standby temperature of 300 °C to nearly 550 °C at the center of the part. These components must support the core in appropriate loading conditions and require structural analysis at relevant temperatures. In FY21, three heat treatments were designed and conducted to simplify the microstructure and to determine how each precipitating phase contributed to the overall strength. In FY21, baseline mechanical properties were measured from uniaxial tensile tests on subsize SS-J2 specimens at room temperature and at elevated temperatures of 300, 450, and 600 °C to serve a comparison to the irradiated properties. Four capsules containing 3D printed Inconel 718 were inserted into HFIR in FY21 for a matrix of two temperatures and two doses. The lower of the two doses was available for characterization in FY22. Multiple heat treatments of Inconel 718 irradiated to nominal conditions of 2 displacements per atom (dpa) at either 300 or 600 °C were strained with uniaxial tensile tests at the Irradiated Material Examination and Testing (IMET) Facility to discern the mechanical properties. Transmission electron microscopy was performed to correlate the observed mechanical properties with nanoscale features. The initially homogenous AM718-HM increased in strength at both irradiation temperatures based on a high density of nanometer-scale radiation-induced cavities at lower temperature and nucleation and growth of γ" precipitates at higher temperatures. The precipitate-hardened AM718-HT2 showed very small differences in strength before and after irradiation: the contribution to strength from γ" precipitates was replaced with dislocation loops. Because the radioactivity of the nickel superalloys from neutron activation limited the scope of the analysis, a feasibility study examined the possibility of an ultra-miniature specimen geometry, colloquially SS-Tiny (SS-T), for mechanical property determination using the nonirradiated Inconel 718. This study found an overestimation of ductility from the SS-T geometry with yield strength and ultimate tensile strength slightly above the SS-J2 geometry: this could be contributed to a reduction in specimen thickness.
36 MATERIALS SCIENCE↗
Calibration of RAFM Micromechanical Model for Creep Using Bayesian Optimization for Functional Output
A Bayesian optimization procedure is presented for calibrating a multimechanism micromechanical model for creep to experimental data of F82H steel. Reduced activation ferritic martensitic (RAFM) steels based on Fe(8–9)%Cr are the most promising candidates for some fusion reactor structures. Although there are indications that RAFM steel could be viable for fusion applications at temperatures up to 600°C, the maximum operating temperature will be determined by the creep properties of the structural material and the breeder material compatibility with the structural material. Due to the relative paucity of available creep data on F82H steel compared to other alloys such as Grade 91 steel, micromechanical models are sought for simulating creep based on relevant deformation mechanisms. As a point of departure, this work recalibrates a model form that was previously proposed for Grade 91 steel to match creep curves for F82H steel. Due to the large number of parameters (9) and cost of the nonlinear simulations, an automated approach for tuning the parameters is pursued using a recently developed Bayesian optimization for functional output (BOFO) framework (Huang et al., 2021, “Bayesian optimization of functional output in inverse problems,” Optim. Eng., 22, pp. 2553–2574). Incorporating extensions such as batch sequencing and weighted experimental load cases into BOFO, a reasonably small error between experimental and simulated creep curves at two load levels is achieved in a reasonable number of iterations. In conclusion, validation with an additional creep curve provides confidence in the fitted parameters obtained from the automated calibration procedure to describe the creep behavior of F82H steel.
42 ENGINEERING↗
Energy Frontier Research in Extreme Environments (EFree)
The mission of EFree has been to accelerate the discovery and synthesis of new energy materials using extreme conditions. EFree has addressed specific knowledge gaps in the discovery of paradigm-shifting, transformative energy materials. The Center targeted three focus areas, Revolutionary Energy Transport Materials, Advanced Structural Materials and Novel Energy Conversion Materials using a system of Center-wide Projects that fall within each of these focus areas. EFree scientists studied materials under extreme conditions to deepen the understanding of materials behavior, enabling new materials to be discovered and ultimately produced by design for practical use at ambient conditions. In addition, EFree supported a range of exploratory projects as feasibility studies for Center-wide projects as well as technical developments that supported these scientific efforts. Over the period of performance, the Center made significant advancements across all three focus areas. This report summarizes key results from the Center and highlights the most important accomplishments including the discovery of near-room-temperature superconductivity, novel diamond-like carbon nanothread materials and new ‘exotic’ semiconductors.
08 HYDROGEN↗
3D Broadband, Noncontact, and Nonlinear Phased Array
Researchers at Los Alamos have developed a 3D broadband, noncontact, and nonlinear ultrasonic phased array technology that enables businesses to characterize and identify cracks and defects using laserbased sensing at ultra-high resolution. It can be applied to a wide range of commercial and industrial markets, e.g., aerospace, aeronautical, nuclear energy, oil and gas, and civil and material engineering and more broadly to those interested in the non-destructive evaluation (NDE) of materials and structures. Traditional phased-array technology for subsurface imaging operate over a narrow frequency range, with a limited number of sensors, using one type of ultrasonic waves which may decrease the likelihood of detecting a structural material crack. This technology fills the information gap by utilizing the potential of laser-based sensing to remove all these limitations. We are seeking a commercialization partner to license the technology or fund us through a Cooperative Research and Development Agreement (CRADA) to further develop a usable product for commercial purposes.
36 MATERIALS SCIENCE↗
2022 American Conference on Neutron Scattering (ACNS 2022)
The 11th American Conference on Neutron Scattering (ACNS 2022) will be held on June 5-9, 2022, in Boulder, CO. The Conference will provide essential information on the breadth and depth of current neutron-related research worldwide. Hosted by the Neutron Scattering Society of America, this year’s Conference will feature a combination of invited and contributed talks, poster sessions, and tutorials. Topics of the conference are: Advances in Neutron Facilities, Instrumentation and Software: Developments in sources, instrumentation, sample environments and control software. Hard Condensed Matter: Magnetism, correlated metals, quantum/topological materials, superconductors, ferroelectrics, multiferroics, glasses, and disorder phenomena. Submissions outlining examples of neutron scattering in industrial and engineering applications involving hard condensed matter systems are also encouraged. Soft Matter: Neutron studies of soft materials and related fields including in situ and in operando studies. Polymers, surfactants, emulsions, gels, nanoparticles, colloidal suspensions and more. Submissions of computational studies or applications of machine learning beneficial to neutron scattering experiments, as well as examples of neutron scattering in industrial and engineering applications are strongly encouraged. Biology, Biophysics and Biotechnology: Neutron studies of biological and biologically relevant systems. Proteins, bio membranes, biological assemblies, natural materials, nucleic acids, drug-delivery platforms and biomedical systems. Submissions of computational studies or applications of machine learning beneficial to biological neutron scattering experiments, as well as examples of neutron scattering in applied research involving biological systems, are strongly encouraged. Materials Chemistry and Energy: Neutron-based studies of functional materials and materials for energy applications. Examples include porous materials such as metal organic frameworks (MOFs), zeolites; phosphors; novel pigments; electrolytes; catalysts; ionic conductors/cathode materials; photovoltaic materials (hybrid perovskites); thermoelectrics; magnetocalorics/electrocalorics. Structural Materials and Engineering: Neutron scattering studies of materials and engineering processes including structural materials, concrete and metals, as well as engineering processes including combustion, corrosion, additive manufacturing, and others. Neutron Physics: Fundamental physical studies of the neutron and related areas. Emerging Applications in Neutron Scattering: Machine Learning and Data Science: Advances in computing power have contributed to rapidly evolving machine learning and data science fields that can be leveraged to the benefit of the neutron scattering community. The purpose of this session is to highlight recent advances in machine learning and data science and to serve as the foundation of a parallel data and computation track highlighting computation advances and applications in neutron scattering throughout the conference.
36 MATERIALS SCIENCE↗
Modeling of Stress and Temperature Effects on Creep of Reduced Activation Ferritic-Martensitic Steel Alloy F82H (Tertiary Creep Modeling of RAFM Steel)
A Bayesian optimization procedure is presented for calibrating a multi-mechanism micromechanical model for creep to experimental data of F82H steel. Reduced activation ferritic martensitic (RAFM) steels based on are the most promising candidates for some fusion reactor structures. Although there are indications that RAFM steel could be viable for fusion applications at temperatures up to 600 °C, the maximum operating temperature will be determined by the creep properties of the structural material and the breeder material compatibility with the structural material. Due to the relative paucity of available creep data on F82H steel compared to other alloys such as Grade 91 steel, micromechanical models are sought for simulating creep based on relevant deformation mechanisms. As a point of departure, this work recalibrates a model form that was previously proposed for Grade 91 steel to match creep curves for F82H steel. Due to the large number of parameters (9) and cost of the nonlinear simulations, an automated approach for tuning the parameters is pursued using a recently developed Bayesian optimization for functional output (BOFO) framework [1]. Incorporating extensions such as batch sequencing and weighted experimental load cases into BOFO, a reasonably small error between experimental and simulated creep curves at two load levels is achieved in a reasonable number of iterations. Validation with an additional creep curve provides confidence in the fitted parameters obtained from the automated calibration procedure to describe the creep behavior of F82H steel at 600 °C. The model is further extended using a temperature dependent scaling law approach to simulate creep response between 550 °C and 650 °C. The efficacy of this extension is compared with the previously used scaling law approach for Grade 91 steel.
36 MATERIALS SCIENCE↗
Enabling Ductile Failure Prediction in Additively Manufactured Metals via 3D Characterization
34th Rio Grande Symposium on Advanced Materials Session: Structural Materials and Failure Mechanisms
Chao, Paul↗
Report on Preliminary Detailed Experimental Plan for Neutron Irradiation of A709 at ATR and HFIR
Advanced nuclear power technologies will use higher temperatures as a means to extract energy at a higher efficiency than current plants and therefore put a larger demand on the structural materials. Improved performance of structural materials could enable greater safety margins, longer plant lifetimes, and reduce maintenance costs. Alloy 709 is championed as the next generation of austenitic alloys for advanced nuclear reactors. In parallel to the ASME code case pursued, the AMMT program is initiating a neutron irradiation campaign to provide first-of-a-kind engineering data to establish operational design parameters and how the mechanical response is modified by environmental factors. This document refines the AMMT neutron irradiation campaign to a 4 year program to support the generation of creep knockdown factors for Alloy 709 and welded Alloy 709. The campaign is divided among two national laboratories, Oak Ridge National Laboratory and Idaho National Laboratory, to use the strengths of each laboratory. Through a cooperative plan, time-independent properties and time-dependent properties will be obtained across a large temperature window, nominally 300°C to 800°C, damage levels up to 10 dpa, and with and without the impacts of transmutation produced helium.
99 GENERAL AND MISCELLANEOUS↗