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At least 487 records · Page 27

Model Parameter Development for Complex Materials: Species-Specific Diffusion Barriers in 316 Stainless Steel from Systematic DFT Calculations

Vacancy-mediated diffusion barriers in 316 stainless steel have been systematically calculated using density functional theory to provide essential parameters for mesoscale microstructure evolution models. A statistical sampling approach employing 210 nudged elastic band calculations across multiple special quasi-random structures captures the effects of local chemical environments in this concentrated alloy. The computational methodology addresses challenges specific to chemically disordered systems, including proper magnetic treatment throughout multi-step calculations and validation against experimental structural properties. The calculated activation barriers reveal clear species-dependent diffusion behavior with the hierarchy Ni >> Fe ˜ Cr >> Mo. Nickel exhibits the highest barriers (0.74–1.31 eV, mean 1.045 eV), confirming its role as the slowest-diffusing major component. Iron and chromium show similar moderate barriers averaging 0.587 eV and 0.522 eV, respectively. Remarkably, molybdenum demonstrates exceptionally low barriers (0.12–0.28 eV, mean 0.194 eV), suggesting much higher mobility than previously recognized and potentially significant implications for precipitation kinetics and microstructure evolution. The barrier ranges remain consistent across different 316 SS compositions, supporting parameter transferability for modeling applications. The overall mean barrier of 0.64 eV provides a practical approximation for phase field simulations, while species-specific values enable detailed treatments of diffusion-controlled processes. This systematic approach establishes a validated framework for generating diffusion parameters in other concentrated alloys where experimental data are limited, while providing the first systematic set of species-specific barriers for predictive modeling of 316 stainless steel microstructure evolution.

36 MATERIALS SCIENCE↗

Reducing the Cost of Fatigue Crack Growth Testing for Storage Vessel Steels in Hydrogen Gas

Hydrogen storage pressure vessels are designed against fatigue crack growth, and the ASME Boiler and Pressure Vessel Code requires the fatigue crack growth rate (da/dN) vs. stress-intensity factor range (ΔK) relationship of the construction steel to be measured directly in hydrogen gas. These measurements are notoriously slow and expensive: the cyclic loading frequencies prescribed by standards (often 0.1 Hz) are two or more orders of magnitude below those for conventional fatigue testing, individual tests run for days to weeks, and the high-pressure test-chamber set-up imposes a significant per-specimen labor cost. Due to these time and cost constraints, near-threshold data—the regime most valuable for extending design fatigue life—are rarely generated for ferritic storage vessel steels in hydrogen gas.

08 HYDROGEN↗

Compositional Homogeneity in Rapidly Solidified 316L stainless steel produced by laser powder-bed fusion processing

The segregation of alloying elements in rapidly solidified 316L stainless steel produced using additive manufacturing technologies is widely reported throughout literature. The microstructure of thin walls manufactured from 316L stainless steel using laser powder bed fusion are examined for the presence of alloy segregation, i.e. the rejection of solutes to grain boundaries. Metallographic methods including mechanical polishing and chemical etching are used to prepare samples for microanalysis m

Jankowski, Alan F. [Sandia National Laboratories (↗

Limiting Retained Austenite Decomposition in Quenched and Tempered Steels: Influences of Rapid Tempering and Silicon

Tempering reactions are critical to microstructure and property control in martensitic steels. Here, retained austenite decomposition and cementite precipitation are monitored using Mössbauer spectroscopy in 4340 and 300-M steel under conventional and rapid tempering conditions. Tempering times are compared at a constant tempered hardness by increasing tempering temperatures associated with short time conditions to achieve equivalent matrix softening to that of longer tempering times. Time-temperature combinations that provide equivalent tempered hardness generated microstructures with similar dislocation densities and cementite precipitation fractions; these mechanisms are controlled by self-diffusion. However, systematic differences in retained austenite content were observed at a given degree of softening, where shorter tempering times exhibited higher levels of retained austenite compared to more conventional conditions. At low temperatures, the differences in retained austenite preservation between explored time-temperature conditions are attributed to corresponding differences in carbon diffusion distance (in austenite), the controlling diffusional process of retained austenite decomposition. At higher temperatures, retained austenite decomposition exhibits C-curve kinetic behavior in 4340. Thus, reduced thermodynamic driving force for cementite and ferrite formation at higher temperature is believed to play a role in restricting retained austenite decomposition within some short-time, high temperature tempering regimes. The addition of silicon pushes cementite precipitation and retained austenite decomposition to higher temperatures, although retained austenite decomposition is suppressed to a greater extent than cementite precipitation. Potential is illustrated for coupling rapid tempering with silicon alloying to produce appreciably tempered martensite (~490 HV) with relatively less retained austenite decomposition compared to conventional tempering conditions.

36 MATERIALS SCIENCE↗

Enhancing CO 2 Mineralization Rate and Extent of Iron and Steel Slag via Grinding

Roughly 10% of the CO 2 emissions from iron and steel making are attributable to the direct release of CO 2 from the thermal decomposition of carbonates to produce flux, mainly CaO, used for impurity removal. Notably, these direct emissions remain even if carbon-based steelmaking is replaced by hydrogen-based steelmaking. After removing impurities from the molten metal, this flux becomes the solid waste product called ‘slag’, a primarily Ca-silicate material. The transformation of slag back into carbonates is thermodynamically spontaneous with negative ΔG in the ambient environment, meaning that ~10% of the CO 2 emissions from iron and steel making could be negated if equipment and methods were developed to support CO 2 mineralization. However, the rate of CO 2 mineralization using slag is slowed by several environmental, geometric, and processing factors. We leverage an experimentally verified model of CO 2 mineralization to determine how to efficiently accelerate the process. Increasing the crystallinity of slag, increasing the relative humidity, and reducing the grain size of slag particles provide the greatest increase in CO 2 mineralization rate at the lowest energy penalty. Increasing the concentration of CO 2 and the temperature provide only modest increases in the CO 2 mineralization rate while incurring a substantial energy penalty. For steelmaking slags, CO 2 mineralization represents low-hanging fruit as the current reuse pathways are low value. For ironmaking slag, replacing the production of amorphous slag for the cement industry with the production of crystalline slag for CO 2 mineralization becomes financially preferable when a carbon price/tax exceeds 67.40 USD/t-CO 2 .

42 ENGINEERING↗

Control of Weld Residual Stress in a Thin Steel Plate through Low Transformation Temperature Welding Consumables

Low transformation temperature welding (LTTW) consumables are characterized by a low martensite start temperature and a large fraction of martensite forming in the weld. It can efficiently reduce the tensile residual stress because the volume expansion associated with the martensitic transformation compensates for the thermal contraction during cooling. In this work, a LTTW wire, designated as EH200B, was created for the arc welding of advanced high-strength steel thin plates. In comparison to conventional ER70S-3 wires, this LTTW wire generated an opposite distortion pattern. Neutron diffraction measurements along the center thickness of the welded plates showed the maximum residual stress along the longitudinal direction (LD) in the weld region, and the heat-affected zone (HAZ) immediately adjacent to the weld region was reduced from ~330 MPa to below 240 MPa by using the LTTW wire. A finite element (FE) model was developed to predict the residual stress distributions of the plates welded under these two wires. The simulation results showed reasonable agreement with the volume-average neutron diffraction data. Compressive residual stress in the weld region using the LTTW wire was predicted by the FE method. Electron backscattered diffraction and x-ray diffraction measurements confirmed ~90% martensite was present in the LTTW weld. The fatigue life of DP980 steel lap joint panels using EH200B wire nearly doubled that of ER70S-3 wire. This improvement was attributed to the high strength and low LD residual stress in the weld and HAZ immediately adjacent to the weld.

36 MATERIALS SCIENCE↗

Experimental and Numerical Characterization of High Temperature Deformation Behavior of 347H Stainless Steel

This study investigates how temperature affects the plasticity and thermal creep behavior of 347H stainless steel under uniaxial tension. The research combined experimental testing with advanced computational modeling. Two types of experiments were conducted: uniaxial tensile tests at temperatures from 100°C to 750°C using strain rates of ~10⁻⁴ s⁻¹, and creep tests at temperatures between 600°C and 750°C under various stress levels. These experimental results were used to develop and validate a new integrated mechanistic model that can predict material behavior under any loading condition while accounting for both stress and temperature effects. The model was implemented using a polycrystalline microstructure simulation framework based on elasto-viscoplastic Fast Fourier Transform (EVPFFT). It incorporates three key deformation mechanisms: thermally activated dislocation glide, dislocation climb, and vacancy diffusional creep. The model accounts for internal stress distribution within single crystals and considers how precipitates and solute atoms (both interstitial and substitutional) affect dislocation movement. After validation against experimental data, the model was used to generate Ashby-Weertman deformation mechanism maps for 347H steel, providing new insights into how microstructure influences the activation of different creep mechanisms.

Joy, Jobin K.↗

Stress-Controlled Creep–Fatigue of an Advanced Austenitic Stainless Steel at Elevated Temperatures

Creep–fatigue interaction occurs in many structural components of high-temperature systems operating under cyclic and steady-state service conditions, such as in nuclear power plants, aerospace, naval, and other industrial applications. Thus, understanding micromechanisms governing high-temperature creep–fatigue behavior is essential for safety and design considerations. In this work, stress-controlled creep–fatigue tests of advanced austenitic stainless steel (Alloy 709) were performed at a 400 MPa stress range and 750 °C with tensile hold times of 0, 60, 600, 1800, and 3600 s, followed by microstructural examinations. The creep–fatigue lifetime of the Alloy 709 was found to decrease with increasing hold time until reaching a saturation level where the number of cycles to failure did not exhibit a significant decrease. Softening behavior was observed at the beginning of the test, possibly due to the recovery of entangled dislocations and de-twining. In addition, hysteresis loops showed ratcheting behavior, although the mean stress was zero during creep–fatigue cycling, which was attributed to activity of partial dislocations. Microstructural examination of the fracture surfaces showed that fatigue failure dominated at small hold times where the cracks initiated at the surface of the sample. Larger creep cracks were found for longer hold times with a lower probability of dimpled cavities, indicating the dominance of creep deformation. The results were compared with other commonly used stainless steels, and plausible reasons for the observed responses were described.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Science and Technology of High Performance Ferritic (HiperFer) Stainless Steels

Future, flexible thermal energy conversion systems require new, demand-optimized high-performance materials. The High performance Ferritic (HiperFer) stainless steels, under development at the Institute of Microstructure and Properties of Materials (IEK-2) at Forschungszentrum Jülich GmbH in Germany, provide a balanced combination of fatigue, creep and corrosion resistance at reasonable price. This paper outlines the scientific background of alloy performance development, which resulted in an age-hardening ferritic, stainless steel grade. Furthermore, technological properties are addressed and the potential concerning application is estimated by benchmarking versus conventional state of the art materials.

36 MATERIALS SCIENCE↗

Primary and Low-Strain Creep Models for 9Cr Tempered Martensitic Steels Including the Effects of Irradiation Softening and High-Helium Re-Hardening

Primary and low-strain creep represents a very important integrity challenge to large, complex structures, like fusion reactors. Here, we develop a predictive empirical primary creep model for 9Cr tempered martensitic steels (TMS), relating the applied stress (σ) to strain (ε), time (t) and temperature (T). The most accurate model is based on the applied σ normalized by the steel’s T-dependent ultimate tensile stress (σo), σ/σo(T). The model, fit to 17 heats of 9Cr TMS, yielded a σ root mean square error (RMSE) of ≈±11 MPa. Notably, the model also provides robust predictions for all the other TMS, when calibrated only by the fusion candidate Eurofer97 database. The model was extended to explore two possible effects of neutron irradiation, which produces both displacements per atom (dpa) and helium (He in atomic parts per million, appm) damage. These effects, which have not been previously considered, include: (a) softening, as a function of dpa, at T > ≈400–450 °C, in low-He fission environments (<1 He/dpa); and (b) subsequent re-hardening in high-He (≥10 He/dpa) fusion first-wall environments. The irradiation effect models predict (a) accelerated primary creep due to irradiation softening; and (b) fully arrested creep due to high-He re-hardening.

Alam, Md Ershadul (ORCID:0000000345968026)↗

A Novel Design for Improving the Control on the Stainless-Steel Vessel Welding Process for Superconducting Magnets

Stainless steel vessels see widespread use in superconducting magnets for particle accelerator applications. Their function varies in different magnet designs: they always provide the necessary liquid helium containment, but in some cases are also used to provide azimuthal prestress and can also be welded to the magnet end plate to provide additional longitudinal stiffness. A magnet designed with the bladder and key technology does not rely on the structural role of the vessel. They are structurally supported using azimuthally prestressed aluminum shells, and the longitudinal constraint by rods. In this case, the magnet designer would generally like to minimize the interaction between the magnet and the stainless-steel vessel and to minimize the coil stress variation due to the vessel. The stress state in the vessel and in the coil is a function of the circumferential interference, defined as the vessel azimuthal length minus the magnet circumference. The vessel and the magnet azimuthal length machining tolerances are relatively large resulting in significant stress variations in the superconducting coils. In this paper we introduce an interference control shim, which can significantly limit the stress variation of the coils for a given variation of the interference. The effectiveness of the interference-control shim is evaluated numerically on the MQXF, the low-β quadrupole for the High Luminosity LHC.

43 PARTICLE ACCELERATORS↗

USE OF NOVEL REFRACTORY DESIGN AND INSTALLATION TECHNIQUES FOR IMPROVED ENERGY EFFICIENCY IN IRON AND STEEL AND OTHER ENERGY INTENSIVE INDUSTRIES

This work describes a US Department of Energy funded program which unites key players to develop and deploy new technologies aimed at increasing energy efficiencies while reducing their overall energy and environmental footprint. The research brings together a vertically integrated collaborative team consisting of the end user (US Steel), material producers/suppliers (Allied Mineral Products and Reno Refractories), raw material suppliers (American Metallurgical Services, Minerals Manufacturing), and research organizations (Oak Ridge National Laboratory, National Energy Technology Laboratory and University of Alabama-Birmingham) with the objective of designing and producing new refractory materials. Design and production criteria are based on novel aggregates, improved particle packing, and engineered surface textures. In addition, the recycling and use of spent refractory materials has been investigated resulting in development of a novel installation technique that utilizes additive manufacturing technology and existing refractory shotcrete technology. The combination of these new technologies will improve the energy, environmental, and economic efficiencies of the steel industry while reducing the environmental footprint. The developed technology is potentially applicable to additional energy intensive industries including cement, glass, pulp and paper, and non-ferrous metals processing.

Hemrick, James↗

Effects of Neutron Irradiation on the Bond Strength of Steel Embedded in Concrete

The structural integrity of the concrete biological shield (CBS) in light water reactors (LWRs) exposed to long-term radiation raises the question of the effects of fast-neutron and gamma irradiation on the bond properties of embedded carbon-steel reinforcement in concrete, which is critical to the transfer of in-service and accidental loads. The design and execution of a first-of-a-kind irradiation experiment conducted in the LVR-15 test reactor (Czech Republic) are presented along with preliminary post-irradiation examination and testing results. Preliminary analysis shows that the fast neutron flux affects the radiation-induced volumetric of concrete aggregate, that the gamma irradiation induces shrinkage of the chemically bonded water in cementitious hydrates and that the bond strength of steel in concrete at the tested irradiation conditions decreases moderately.

Le Pape, Yann↗

Towards a multiscale approach for understanding irradiation induced swelling and creep in 316 stainless steels - A coupled cluster dynamics and crystal plasticity approach

Structural materials undergo mechanical degradation, in part due to irradiation-induced swelling and creep, under nuclear reactor conditions. While swelling results from the migration and clustering of irradiation-induced atomic-scale mobile defects, the interaction of mesoscale dislocations with these defects causes creep deformation. A coupled crystal plasticity (CP) and mean-field cluster dynamics (CD) approach is presented to investigate the effect of irradiation on the long-term mechanical behavior of 316 stainless steel, which are under consideration for use in nuclear reactors. The temporal evolution of Frenkel pairs and extended defect population, under a chosen irradiation flux and temperature, is predicted using the CD model. The impact of the irradiation defects on the stress state, and the resulting dislocation-mediated inelastic deformation, is modeled concurrently with the CP model. The inelastic deformation is irradiation flux dependent, and early-stage defect evolution determines the later-stage mechanical behavior in 316 stainless steel.

36 - MATERIALS SCIENCE↗

Irradiation Testing of Additively Manufactured Materials for LWR Applications: Alloy 718 and 316L Stainless Steel

The objective of this NSUF Project is to assess the changes in irradiated additively manufactured (AM) material properties as compared to non-irradiated material. Type 316L stainless steel and Alloy 718 samples were produced using Direct Metal Laser Melting (DMLM) fabrication. Materials produced from this fabrication method have several potential applications within the nuclear industry as reactor internal repair parts, fuel debris resistant filters, or fuel spacers within existing light water reactors (LWRs). AM materials have been shown to achieve equivalent mechanical behavior in simulated reactor environments as compared to wrought materials, but have significantly more flexibility when it comes to unique design features. The increased component design flexibility makes these AM materials an attractive choice for both current LWR applications as well as for small modular reactor (SMR) designs. Prior to use of these materials in reactor fleet operation, the industry as a whole must evaluate the effects of irradiation on their material properties. Standard 0.4 inch thick Compact Tension specimens and SSJ3 type tensile bars were neutron irradiated at the Advanced Test Reactor to ~1 dpa for the purpose of performing a variety of mechanical tests in a range of simulated environments applicable to LWRs. For the ductile austenitic Type 316L stainless steel, the irradiated data will be used to confirm that the AM process produces materials with properties that are equivalent to wrought materials under testing conditions applicable to LWR operation. Transmission electron microscopy analysis was also performed in order to understand microstructural and microchemical changes induced in each material in response to neutron irradiation. If possible, data collected from these AM 316L samples will be used to remove fluence limits from specifications of ASME code cases for this alloy, which will give vendors much more flexibility in building future components.

36 - MATERIALS SCIENCE↗

Characteristics and mechanisms of hydrogen-induced quasi-cleavage fracture of lath martensitic steel

Here this study presents an in-depth characterization of the microstructures, crystallographic orientations, and dislocation characteristics beneath hydrogen-induced quasi-cleavage fracture features of an as-quenched, lath martensitic (α') 22MnB5 steel. The fracture surfaces of gaseous hydrogen-embrittled martensitic specimens were analyzed by a combination of multiple analytical tools: scanning electron microscopy (SEM), electron backscatter diffraction (EBSD), transmission electron microscopy (TEM), and transmission Kikuchi diffraction (TKD). The dominant fracture mode in the hydrogen-affected zones was quasi-cleavage fracture, which involved significant plasticity, evidenced by plastic zones near tear ridges and a high density of dislocations beneath the quasi-cleavage facets. The martensite constituent sizes, variant orientations, and boundaries influenced the quasi-cleavage surface morphologies. Fractography revealed the occurrence of {100} α' -type cleavage across martensitic laths, developing relatively “flat” quasi-cleavage surfaces, in addition to {110} α' -type cracking likely along lath and block boundaries, and fracture along non-cleavage planes. The likelihood of the formation of the relatively “flat” quasi-cleavage surfaces increased with increasing martensitic constituent sizes. Substantial dislocation bands formed on intersecting {112} α' slip planes within a martensite block below the hydrogen-induced cleavage fractures on {100} α' planes. River markings on the quasi-cleavage surfaces were found to originate from the complex, hierarchical lath martensitic microstructure. Steps and ridges on the quasi-cleavage facets generally linked with the various martensitic boundaries, suggesting that they were produced as a result of crack deviations at those boundaries. The fracture paths and martensite quasi-cleavage mechanisms are discussed in the context of the role of hydrogen and Cottrell cleavage model.

36 MATERIALS SCIENCE↗

A phase-field study of stainless-steel oxidation from high-temperature carbon dioxide exposure

An electrochemical phase-field model has been developed to investigate the oxidation mechanisms of the 21-2N valve stainless steel alloy exposed to carbon dioxide at 973 K. Three oxide phases observed in oxidation experiments are included in the model: Mn 3 O 4 , Cr 2 O 3 , and MnCr 2 O 4 . Local charge neutrality and the conserved current condition are assumed to include the impact of the electric potential on oxidation, though it is found to be negligible when the system is electrically isolated. The sensitivity of the oxidation processes to the values of the diffusion mobilities is examined, and the oxidation rate is calibrated against experimental data by modifying the sensitive mobilities. We find that both inward oxygen and outward metal diffusion are important for oxidation. Furthermore, by investigating the impact of the order of the initial oxide layers, we find that Cr 2 O 3 serves as a barrier to outward Mn diffusion. Moreover, controlling the initial oxide layer order can be used to limit oxidation.

36 MATERIALS SCIENCE↗

Additive manufacturing of AISI M2 tool steel by binder jetting (BJ): Investigation of microstructural and mechanical properties

The presented research demonstrates for the first time the successful processing of AISI M2 tool steel by binder jetting, a promising additive manufacturing technique capable of producing complex shapes with minimal residual stresses and isotropic properties. The optimal printing parameters were explored by varying processing parameters such as the binder saturation (45 %–105 %), binder set time (0 to 10 s), targeted bed temperature (50–60 °C), oscillator (2600–2750 rpm), recoater (20–28 mm/s), and roller speeds (200–300 rpm). Microstructural characterization and evaluation of mechanical properties of binder jetted parts were performed using x-ray diffraction (XRD), scanning electron microscopy (SEM), and energy dispersive spectroscopy (EDS) to study their chemical composition, powder morphology, microstructure, carbide morphologies, relative density, hardness, compressive strength, and ductility. Two powder sizes (5 and 10 μm) were used, and sintering was performed at varying temperatures (1270, 1280, and 1300 °C) and durations (60 and 120 min), followed by a furnace, air, and water cooling. An optimum hardness of ~970 HV was obtained when parts were sintered at 1270 °C for 60 min, followed by water quenching. Impressive compressive strength of ~ 3580 MPa was observed in the sample sintered at 1280 °C for 60 min duration, followed by air cooling. Furnace-cooled parts showed the highest density of ~95 %, whereas the relative density of air- and water-cooled parts varied between ~91 to 93.50 %, respectively. The microstructure of sintered samples revealed the formation of M 6 C stable carbide, M 2 C metastable carbide, MC as a secondary carbide, and a-Fe matrix, which contributed to the observed increase in mechanical properties.

36 MATERIALS SCIENCE↗