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At least 37 records · Page 2
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Directed energy deposition of radially functionally graded nickel based superalloys IN625 and IN738: Microstructure and mechanical properties

This study investigates the microstructure and mechanical properties of radially functionally graded (RFG) materials fabricated from nickel-based superalloys IN625 and IN738 using directed energy deposition (DED). RFG cylindrical deposits with radial gradients of IN625-IN738 and IN738-IN625 were successfully fabricated and confirmed to be crack-free through tailored composition grading, scan strategy and process parameters that minimized thermal gradients and solidification velocities. Microstructural analysis revealed distinct variations across the gradient, characterized by differences in dendrite arm spacing, microsegregation, and the formation of distinct γ' precipitates and carbide/boride phases (MC, M 6 C, M 2 C, and MB 2 ) in as-deposited (AD) conditions, which evolved into M 23 C 6 and M 2 B upon subsequent heat treatment (HT). EBSD showed predominant columnar grains with a [100] texture, while microhardness profiles demonstrated consistent variation across the gradients. Mechanical testing highlighted the synergy of the graded structure, combining IN738's strength with IN625's ductility, resulting in enhanced properties such as a yield strength of 1131 MPa, ultimate tensile strength of 1382 MPa, and elongation of 12 % for HT IN625-IN738 grading. Numerical simulations employing CALPHAD thermodynamic calculations and finite element thermal modeling are used to establish phase evolution and microstructural feature correlation with thermal profiles, aiding in the optimization of process-structure-property relationship.

Additive manufacturing↗
DOE OSTI2024

Tensile Deformation of DED Graded IN718-René41 Superalloy at 650°C by in-situ Neutron Diffraction and Digital Image Correlation

A compositionally graded material comprised IN718 (718, γ'/γ" strengthened superalloy) and René41 (R41, a medium γ' strengthened superalloy) was fabricated using laser blown-powder directed energy deposition (DED/LB-M). Hot gas path components that require high and low temperature capabilities at different locations may benefit from such graded superalloy, potentially eliminating the use of welded or mechanically joined components and reducing cost. In the present work, microstructure and 650°C tensile behavior of 718-R41 graded superalloy in as-built and heat-treated states are investigated by Digital Image Correlation (DIC), in-situ neutron diffraction, coupled with conventional characterization techniques. The applied heat treatment generates static recrystallization and equiaxed grains in 718 rich compositions, while R41 rich compositions remain partially or un-recrystallized. Yield strengths of 718 and R41 sections in heat-treated state are comparable to wrought forms but the graded compositions show weakness. From neutron experiment, diffraction elastic constants and single crystal elastic constants are calculated, which show small difference between the as-built and heat-treated states and between the γ and γ' phases. Grain-level load transfer from the (220) grains to (200) grains is found to be composition dependent, and qualitatively agrees with DIC measured macroscopic yield strength. Within the (200) grains, the γ/γ' phases deform elastically until the γ phase yields and afterwards the γ' phase takes load from γ phase.

digital image correlation↗
DOE OSTI2023

Charge Carrier Lifetime Determination in Graded Absorber Solar Cells Using Time‐Resolved Photoluminescence Simulations and Measurements

Thin‐film photovoltaic device efficiencies are limited by carrier recombination, thus understanding recombination mechanisms is critical for performance improvements. Bulk minority carrier lifetime ( τ bulk ) is a critical parameter for solar cells but is difficult to determine in P–N junction devices, especially for high doping. As doping ≥10 16 cm −3 is required for efficient drift‐charge‐carrier‐collection devices, a method for τ bulk determination in doped P–N junction devices is necessary. This work utilizes time‐resolved photoluminescence (TRPL) simulations to quantify bulk and interface recombination properties in highly doped, graded absorber CdSeTe structures. The two methods developed here for τ bulk determination include utilization of an instantaneous lifetime representation to guide TRPL fitting and direct comparison between measured and simulated decays. Simulations verified that both methods are valid for state‐of‐the‐art device architectures which include graded bandgap absorbers, graded doping, and graded lifetimes. Shifts in the dominant recombination mechanism are identified for sufficiently long τ bulk , where front and back interface quality plays a more prominent role. Evaluation of surface recombination velocities and conduction band offset illustrate electro‐optical advantages of a positive conduction band offset and highlight the necessity of improved interfaces as bulk quality in photovoltaic devices improves.

14 SOLAR ENERGY↗
DOE OSTI2024

Multi-scale signaling and tumor evolution in high-grade gliomas

Although genomic anomalies in glioblastoma (GBM) have been well studied for over a decade, its 5-year survival rate remains lower than 5%. We seek to expand the molecular landscape of high-grade glioma, composed of IDH-wildtype GBM and IDH-mutant grade 4 astrocytoma, by integrating proteomic, metabolomic, lipidomic, and post-translational modifications (PTMs) with genomic and transcriptomic measurements to uncover multi-scale regulatory interactions governing tumor development and evolution. Applying 14 proteogenomic and metabolomic platforms to 228 tumors (212 GBM and 16 grade 4 IDH-mutant astrocytoma), including 28 at recurrence, plus 18 normal brain samples and 14 brain metastases as comparators, reveals heterogeneous upstream alterations converging on common downstream events at the proteomic and metabolomic levels and changes in protein-protein interactions and glycosylation site occupancy at recurrence. Recurrent genetic alterations and phosphorylation events on PTPN11 map to important regulatory domains in three dimensions, suggesting a central role for PTPN11 signaling across high-grade gliomas.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2022

Modeling atomically mixed graded density impactors

Graded density impactors (GDIs) are multi-material composite impactors used in gas gun experiments to tailor the drive conditions imparted to a sample test material. Previous graded density impactors generally rely on thin, but discrete, layers of different materials. The thinner and the greater number of layers will result in smoother compression. Taken to the limit of very thin layers would be pure material 1 at one surface, such as the front surface of an impactor, smoothly transitioning at the atomic scale to pure material 2 on the back surface. Such an impactor can initially shock, then smoothly compresses a material during a dynamic experiment. This type of experiment can serve to explore a larger region of thermodynamic space than a single or even multi-shock experiments. An overview of how graded density impactors are made is reviewed and sample results are given. Additionally, a strategy for modeling these kinds of impactors is presented. The length scales of constituent mixing are given from the experimental build through electrochemical-deposition. Equation of state models for pure constituents and their subsequent mixtures are presented. It is demonstrated that the time scales for pressure and temperature equilibration, for atomically mixed GDIs, are short enough to be a justifiable closure for the resulting multiphase flow. Furthermore, we present simulation results of dynamic shock followed by a ramp compression, utilizing a silver/gold graded density impactor, onto a tantalum sample.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

Thermal Aging Effects on the Yield and Tensile Strength of 9Cr-1Mo-V (Grade 91)

The long-term exposure of 9Cr-1Mo-V (Grade 91) steel to elevated temperature can have a significant effect on reducing its yield and tensile strength. The yield and tensile strength changes, in turn, have potential implications to the assurance of the integrity of components constructed with this material over their design or intended lifetime. The ASME Boiler & Pressure Vessel Code (BPVC), Section III, Division 5 (III-5, high temperature reactors) provides tabulated reduction factors for Grade 91 yield and tensile strength as a function of exposure temperature and time up to 300,000 h. ASME BPVC III-5 s intent to extend these factors to an exposure duration of 500,000 h, the lack of available historic information to support the existing factors, and the recent development of a physics-based prediction model for ASME BPVC application are prime motivation for this study. This work describes results of the conventional time-temperature Hollomon–Jaffe parameter, strength reduction ratio prediction method using an updated, extensive Grade 91 unaged and related aged material strength database. The method, previously used by Oak Ridge National Laboratory in its evaluation of Grade 91 and likely used in development of the existing BPVC III-5 reduction factors, provides strength reduction ratio predictions useful for general component fitness-for-service assessments and for computing BPVC III-5 reduction factors as defined. Specific reduction factors to 500,000 h at 650 °C applicable to ASME BPVC III-5 are computed from the strength reduction ratios.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Mechanical Properties of Functionally Graded Concrete Lining for Deep Underground Structures

With the mining depth of coal resources increasing, the thickness of traditional lining for deep mines becomes large. The bearing capacity of the outer lining cannot be fully utilized, so a new type of functionally graded lining structure (FGL) with radial Young’s modulus varying in gradient is proposed. In this study, through theoretical analysis and numerical simulation, the mechanical properties of the functionally graded lining were studied, including the characteristics of the elastic working state and the ultimate bearing state. The influences of the structural parameters of the functionally graded lining, including the inner radius, the thickness, Young’s modulus, the compressive strength of the concrete, Poisson’s ratio, and the number of layers on the mechanical properties were analyzed. The calculation formula of the ultimate bearing capacity of the lining and the calculation formula of the maximum tangential strain at the time of lining failure were put forward. The accuracy of the formula was verified by comparing with the numerical simulation results. The research results provide the basis for the construction of the design theory of a functionally graded lining structure and have great engineering significance for the construction of the kilometer-deep mines in the future.

Li, De-Chun↗
DOE OSTI2020

GradeIT (Road Grade Inference Tool)

The National Renewable Energy Laboratory (NREL) has developed the Road Grade Inference Tool, "GradeIT". This tool is a modular Python package the leverages the United States Geological Survey’s (USGS) 1/3 arc-second Digital Elevation Model (DEM), an open and free public dataset. Roadway gradient (slope) has a strong influence on vehicle energy consumption behavior and longitudinal dynamics. Therefore, any tools, models, or analyses that consider vehicle energy consumption or driving profiles is incomplete without accurate elevation and grade information. Despite the acute need for this data, it is rarely collected alongside GPS (latitude and longitude) data, and tools to post-process GPS data to append elevation and grade are difficult to come by. GradeIT satisfies this significant need in the research community. Utilization of the USGS DEM makes the underlying data available to any potential user and ensures continuous data anywhere in the continental United States. The USGS DEM is a great resource; however, in order to be useful for automotive and traffic engineering applications, significant interpolation and filtering is required to achieve an accurate representation of gradient on the roadway. GradeIT employs a two-dimensional interpolation to approximate elevation at a point on the road from the nearest nodes in the DEM. Then, GradeIT applies multiple filtering techniques to smooth the elevation profile to a realistic road topology. Finally, road grade is derived from the elevation profile and returned as the primary output.

Holden, Jacob↗
DOE OSTI2020

ORNL Post-irradiation Examination (LAMDA) Final Report on Characterization of Irradiated Grade 92 Ferritic-Martensitic Steels

Irradiation effects on ferritic-martensitic steel Grade 92 were investigated in this project. Samples from two heats of Grade 92, i.e., G92-2b and NF616, were selected, which were irradiated in the High Flux Isotope Reactor (HFIR) and the Advanced Test Reactor (ATR), respectively. Samples from two heats of ferriticmartensitic steel T91, irradiated in the ATR, were also selected as references for the Grade 92 samples. The selected G92-2b samples were irradiated to 0.5–14.7 displacements per atom (dpa) at two temperature regimes: 400–497 °C and 683–720°C. The selection of the high irradiation temperatures up to ~720°C is to test the performance at such upper bound temperatures, which would provide insights for the upper bound applicable temperature for Grade 92. The selected NF616 and T91 samples were irradiated to 3–8.2 dpa at 292–448°C. Except for T91 heat2 samples in 3-mm diameter discs, all the other selected samples are of type SS-J2 miniature tensile specimens. Two Nuclear Science User Facilities (NSUF), i.e., the Irradiated Materials Examination and Testing (IMET) hot cell facility and the Low Activation Materials Design and Analysis (LAMDA) facility, were used in the Post-Irradiation Examination (PIE) activities for the selected samples, which include: Tensile tests at room temperature (IMET); Fractography of the tensile fracture surfaces (LAMDA: scanning electron microscopy and energy; dispersive spectroscopy); Vickers hardness measurements (LAMDA); and Microstructural characterization (LAMDA: electron backscatter diffraction, focused-ion beam, and transmission electron microscopy).

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2021

Microstructural Model for Creep-Fatigue Interaction in Grade 91 Steel

This report describes the completion of a crystal plasticity finite element simulation framework for creep-fatigue deformation and damage in Grade 91 steel. In addition to a description of the framework and a set of verification calculations, the report details an initial set of simulations applying the framework to examine low cycle fatigue and creep-fatigue interaction in Grade 91 at 600° C. Grade 91 is a likely material for future advanced microreactors and creep-fatigue will be a limiting structural damage mechanism, particularly for mobile reactors or load following systems. The framework described here could provide a better understanding of creep-fatigue damage mechanisms and directly examine creep, fatigue, and creep-fatigue interaction for Grade 91 at realistic component service conditions. This in turn could lead to improved design methods and component life estimation approaches, leading to more efficient and economical component designs.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Revisions to the Strategic Petroleum Reserve Well Grading System

This report presents revisions to the Strategic Petroleum Reserve (SPR) well grading framework. The well grading framework is composed of multiple components and was developed as a guide in application of well remediation and monitoring resources. The revisions were applied to enhance the efficiency and consistency of the well grading process across the four SPR sites. Documentation of the revisions and any significant impact from these revisions are also discussed. The current general workflow for the application and updating of the well grades is also provided.

02 PETROLEUM↗
DOE OSTI2025

MaPSA Quality Control and AI-Enhanced Grading For the CMS Phase-II Tracker Upgrade

The Compact Muon Solenoid (CMS) experiment will undergo changes as part of the Large Hadron Collider upgrade. The CMS tracker will be upgraded to cope with the new radiation environment and to provide tracking at the first level trigger. This upgrade features a new type of silicon module called PS Module, which combines a Pixel sensor and a Strip sensor in the same module. The pixel portion of the PS module has a sensor bump bonded to 16 Macro Pixel ASICs (MPA) to form a Macro Pixel Sub Assembly (MaPSA). At Fermilab, MaPSAs are tested for quality control before being assembled with the strip sensors, readout and service electronics to form a PS Module. All of this test data is stored in a centralized database, and is used to grade the final module to determine if it will be installed in the detector. The Phase II Outer Tracker Analyzer of Test Outputs (POTATO) is the software that processes this data and determines the module grades. Using recent technologies, an AI agent is being im plemented into POTATO in order to allow users to more efficiently sort through the large amounts of analysis data and ensure that only the user specified data is being considered. This poster will display the process of testing a MaPSA, how that test data is relevant to module assembly and grading, and how the POTATO grading tool is being improved with the use of an embedded AI agent.

Gzamouranis, Olivia [Purdue U.]↗
DOE OSTI2022

Perspective on “code qualifying” new graphite grades for use in advanced nuclear reactors*

The American Society of Mechanical Engineers (ASME) publishes the Boiler and Pressure Vessel (BPV) Code, which include guidance for the safe development, construction, and operation of boilers and pressure vessels. ASME BPV Code Section III “Rules for Construction of Nuclear Facility Components” Division 5 focuses on “High Temperature Reactors”. Subsection HH, subpart A lists the different materials properties that are to be measured and how those properties change due to different environmental conditions (oxidation and irradiation damage) for a graphite to be accepted for use in a high temperature reactor core (i.e., “Code Qualified”). Currently there are no nuclear graphite grades that are “Code Qualified” (i.e., a reactor designer can select a graphite grade and build their reactor without any additional testing), which is due in part to development of new graphite grades in the last 20 years and the lack of comprehensive programs needed to produce the data for the code cases. This perspective is going to discuss the requirements, as called out in the ASME BPV Code, that are necessary to “code qualify” a nuclear graphite grade but will primarily focus on the practical and technical challenges associated with irradiation-induced property changes and how to address these to assist with getting graphite ready for use in advanced nuclear reactors. These same technical challenges can be expected to arise for other materials being developed for advanced reactor concepts.

advanced nuclear reactors↗
DOE OSTI2022

Sensitivity Study of Multiscale and Phenomenological Elasto-Viscoplastic Grade 91 Material Models for Component-Scale Response

Many advanced nuclear reactor concepts currently being developed are targeting higher operating temperatures relative to the current fleet of light water nuclear reactors, for efficiency gains and other operational considerations. The design of high temperature structural components with reliable long-term operational performance will depend on material models that accurately capture the inelastic deformation mechanisms active in these environments. In this work, we perform a detailed parameter sensitivity analysis of two unified elasto-viscoplastic Grade 91 material models capable of capturing long term high temperature creep deformation. The first model is a phenomelogical material model from the Nuclear Engineering Material Library (NEML) developed at Argonne National Lab. The NEML model parameters and their uncertainty were fit to a range of Grade 91 experimental data using Bayesian Markov Chain Monte Carlo analysis. The second model is a LAROMance data-driven surrogate material model developed at Los Alamos National Lab. The LAROMance model is fit to a large database of responses produced by a mechanistic crystal plasticity based polycrystal model. Parameters for the LAROMance surrogate material model reflect the pedigree of the Grade 91 microstructure. Both material models have been integrated into the Grizzly code, based on the open-source MOOSE multiphysics simulation framework, to simulate both the progression of aging mechanisms and the effects of that aging on nuclear power plant structures. Grizzly is used analyze a three-dimensional Grade 91 piping system to compare the long-term inelastic response predicted by these two fundamentally different models and assess the sensitivity of the material model input parameters on this quantity of interest.

42 ENGINEERING↗
DOE OSTI2020

Corrosion resistance of functionally graded TiN/Ti coatings for proton exchange membrane fuel cells

Bipolar Plates (BPP) are important components of proton exchange membrane fuel cell (PEMFC) stacks. In the development of innovative fuel cell designs, it is advantageous to use aluminum for these applications, however, this material lacks the necessary corrosion resistance. Since the performance of PEMFC stacks depends on BPP properties, in particular, corrosion resistance, depositing titanium nitride (TiN) thin films onto aluminum substrates may improve their efficiency and durability. Present work focuses on improving corrosion resistance and hydrophobicity of TiN/Ti by using N graded films deposited onto aluminum substrates (AA-1100) by grid-assisted magnetron sputtering (GAMS). Electrochemical impedance spectroscopy (EIS) with potentiodynamic and potentiostatic polarization are used to investigate the performance of the substrate/film system at room temperature and 70 oC, thus simulating a prototypic PEMFC electrolyte environment. Electrochemical test results showed that graded TiN films improved corrosion resistance when compared with both the homogeneous films and the AA1100 uncoated substrate. Furthermore, contact angle results reveal improved hydrophobicity for both homogeneous and graded TiN coatings when compared with the AA1100 substrate.

25 ENERGY STORAGE↗
DOE OSTI2024

Functionally graded magnetic materials: a perspective to advance charged particle optics through compositional engineering

Additive manufacturing has ushered in a new paradigm of bottom-up materials-by-design of spatially non-uniform materials. Functionally graded materials have locally tailored compositions to provide optimized global properties and performance. In this letter, we propose an opportunity for the application of graded magnetic materials as lens elements for charged particle optics. A Hiperco50/Hymu80 (FeCo-2 V/Fe-80Ni-5Mo) graded magnetic alloy was successfully additively manufactured via Laser Directed Energy Deposition with spatially varying magnetic properties. The compositional gradient is then applied using computational simulations to demonstrate how a tailored material can enhance the magnetic performance of a critical, image-forming component of a transmission electron microscope.

36 MATERIALS SCIENCE↗
DOE OSTI2023

3D-Printed Graded Electrode with Ultrahigh MnO 2 Loading for Non-Aqueous Electrochemical Energy Storage

Electrolytic manganese dioxide is one of the promising cathode candidates for electrochemical energy storage devices due to its high redox capacity and ease of synthesis. Yet, high-loading MnO 2 often suffers from sluggish reaction kinetics, especially in non-aqueous electrolytes. The non-uniform deposition of MnO 2 on a porous current collectors also makes it difficult to fully utilize the active materials at high mass loading. Here, a 3D printed graded graphene aerogel (3D GA) that contains sparsely separated exterior ligaments is developed to create large open channels for mass transport as well as densely arranged interior ligaments providing large ion-accessible active surface. The unique structural design homogenizes the thickness of electro deposited MnO 2 even at an ultrahigh mass loading of ≈70 mg cm -2 . The electrode achieves a remarkable volumetric capacity of 29.1 mA h cm -3 in the non-aqueous electrolyte. A Li-ion hybrid capacitor device assembled with a graded 3D GA/MnO2 cathode and graded 3D GA/VO x anode exhibits a wide voltage window of 0–4 V and a superior volumetric energy density of 20.2 W h L -1 . The findings offer guidance on 3D printed electrode design for supporting ultrahigh loading of active materials and developments of high energy density energy storage devices.

electrochemical energy storage↗
DOE OSTI2026

Computational Design of Interlayers for Thermally Stable Compositionally Graded Coatings on Nickel Alloys

To extend the service life of Ni-based superalloys, refractory metal coatings are often used. However, direct bonding between metals with dissimilar crystal structure promotes brittle intermetallic phase formation. This work presents a computational thermodynamic framework for high throughput design of functionally graded interlayers to suppress deleterious phases that may form at the interlayer. The Thermo-Calc software package was used to screen candidate metallic interlayer elements based on stability of solid-solution phases. Vanadium was identified as a promising interlayer due to its consistent suppression of intermetallic phases. Temperature-dependent phase diagram mapping between 600 and 1000 °C guided selection of a compositional pathway that significantly reduced intermetallic formation compared to directly joining the Ni-based and Nb refractory alloys. Time–temperature–transformation analysis was performed to assess whether equilibrium-predicted phases are kinetically accessible along regions of the graded path where non-solid-solution phases are not fully suppressed. The methodology was further applied to additional Ni-based alloy and coating systems, illustrating its transferability as an approach for rapid computational design of graded interlayers in dissimilar high-temperature materials.

36 MATERIALS SCIENCE↗