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

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At least 19 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

The role of specimen size and grain boundary characteristics in the yield strength of tungsten in microtensile tests

To effectively use the measured properties from small-scale tensile tests for bulk material performance predictions, it is essential to understand the threshold of specimen size-effect strengthening and the interaction between dislocations and microstructures within miniaturized specimens. This study uses pure tungsten to investigate the size effect in terms of specimen size, grain size, and grain boundary characteristics relative to the yield strength of tungsten at room temperature. We evaluate the transition from miniaturized specimen properties to bulk properties and the deformation behavior through small-scale tensile tests of three specimen sizes (large: 80 × 100 × 233 µm³; medium: 7 × 7 × 18 µm³; and small: 2 × 2 × 5 µm³). The testing results reveal that the small and medium specimens exhibit high yield strength with ductile behavior, while the large specimens exhibit brittle failure, consistent with the room temperature strength of tungsten, indicating bulk behavior. We further explore the specimen size-effect sensitivity to yield stress and the scaling relationship between yield strength and the number of grains involved in the deformation. A power-law relationship with the exponent value of approximately -0.5 was found in the yield strength–grain number scaling, implying the Hall-Petch like behavior. A minimum of 7–17 effective grain boundaries across the tensile gauge dimension is required to accurately measure bulk properties.

36 - MATERIALS SCIENCE↗
DOE OSTI2025

On the bulk compaction of brittle granular materials, Part III: Brittle‐to‐ductile transition and yield strength

A new and simple method is presented that enables the estimation of the yield strength (σ y ) of brittle materials (e.g., ceramics, glasses). It results from the combination of sufficiently high-stress compaction of their granular form, postmortem analysis of the crushed particles to identify the critical particle size corresponding to their brittle-to-ductile transition, and the use of a developed and simple analytical expression. Here, this method was an outcome from Part I of this three-paper series. To execute it, a granular brittle material is compacted to a sufficiently high stress, whereby the acting comminution produces both a fraction of particles having a sufficiently small size formed by ductile or plastic-like deformation and a remaining fraction of larger particles formed from brittle fracture. Postmortem microscopy is then used to identify the smallest particle size whose morphology indicates it formed from brittle fracture (d B2D ). The brittle material's σ y can then be estimated using a combination of the d B2D , Kendall's and Griffith's theories, a priori knowledge of the material's fracture toughness (K Ic ), and a fracture mechanics shape factor constant (Y) using σ y = √((32 π K Ic 2 )/(3 Y 2 d B2D )). The method's development and its use to estimate σ y for several vitreous silicates, α-quartzes, and NaCl are provided.

Compaction↗
DOE OSTI2025

Utilizing machine learning to predict tensile ductility and yield strength of CoNiV-based multi-principal elements alloys

This study explores the use of machine learning (ML) as a computational tool to accelerate the design of multi-principal element alloys (MPEAs) with improved tensile elongation. An ML model was trained using available experimental data from the literature along with theoretically derived features to predict yield strength (YS) and ductility. A subset of ML-predicted compositions—CoNiVFe, CoNiVTi, CoNiVTiFe, and CoCrNiVTi—was synthesized and evaluated through tensile testing. The ML model underpredicted YS by approximately 20–30 % and overpredicted ductility by 60–70 % for Ti-containing alloys. Microstructural analysis revealed that Ti segregation at interdendritic regions contributed to early fracture, leading to discrepancies in ductility predictions. Ti segregation at these regions likely drives the increased YS due to segregation strengthening. In contrast, the CoNiVFe alloy showed good agreement with both experimental YS and elongation, with prediction errors of ∼10.2 % and ∼20.7 %, respectively. Microstructural characterization revealed minimal segregation in this alloy, suggesting that the ML model can reliably predict the properties of alloys with little to no segregation. These findings highlight the capability of ML in predicting YS with good accuracy but underscore its limitations in capturing defect-driven failure mechanisms such as segregation-induced embrittlement.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Impact of post-irradiation annealing on mechanical performance of irradiated 718 alloy

Here, the effect of post-irradiation annealing on solution-annealed 718 alloy was investigated using advanced mechanical testing, fractography, scanning electron microscopy, and transmission electron microscopy. Specimens were extracted from a proton beam window operated at the Spallation Neutron Source, irradiated with 940 MeV protons to a maximum dose of approximately 9.7 displacements per atom (dpa) at a calculated temperature not exceeding 110 °C while in service. Helium and hydrogen concentrations reached about 1700 and 6900 atomic parts per million (appm), respectively. Despite irradiation and high tensile strength (yield stress over 1 GPa), the material exhibited significant ductility. Annealing at 500 °C, 700 °C, and 900 °C for 30 min resulted in an appreciable decrease in yield strength and an increase in ductility for annealing treatments at 500 °C and 900 °C relative to the strength and ductility of the as-irradiated material. The presence of helium and hydrogen led to cavity formation and cleavage-like brittle features on fractured surfaces; however, high-magnification imaging revealed the presence of small-scale ductile dimples, indicating that the fracture mechanism remained mixed. The annealed specimens retained total elongation levels of 14–33 %, and there was no sudden drop in ductility after heat treatments. The ductility level in the irradiated and annealed material is notable despite the presence of helium and hydrogen.

36 MATERIALS SCIENCE↗
DOE OSTI2024

A Database of Stress-Strain Properties Auto-generated from the Scientific Literature using ChemDataExtractor

Abstract There has been an ongoing need for information-rich databases in the mechanical-engineering domain to aid in data-driven materials science. To address the lack of suitable property databases, this study employs the latest version of the chemistry-aware natural-language-processing (NLP) toolkit, ChemDataExtractor, to automatically curate a comprehensive materials database of key stress-strain properties. The database contains information about materials and their cognate properties: ultimate tensile strength, yield strength, fracture strength, Young’s modulus, and ductility values. 720,308 data records were extracted from the scientific literature and organized into machine-readable databases formats. The extracted data have an overall precision, recall and F-score of 82.03%, 92.13% and 86.79%, respectively. The resulting database has been made publicly available, aiming to facilitate data-driven research and accelerate advancements within the mechanical-engineering domain.

Kumar, Pankaj↗
DOE OSTI2026

Attention-based 3D – convolutional neural network model for mechanical property predictions using visible light images in metal additive manufacturing

Additive manufacturing (AM), while commonly used for rapid prototyping and creating components with complex geometries, has not been widely adopted for critical applications across the aerospace, automotive, defense, energy, and medical industries. This is, in part, due to the challenges of controlling flaws and uncertainty in the mechanical behavior of additively manufactured components. In recent years, there has been an increase in research aimed at predicting the final mechanical properties of additively manufactured components during the printing process. To address these issues, a 3D-CNN model was trained using low-cost in situ visible-light camera data, anomaly classifications, and the chosen process parameters to predict the ultimate tensile strength (UTS), yield strength (YS), total elongation (TE), and uniform elongation (UE). The 3D-CNN layers of the model employed attention mechanisms to prioritize features in the data, thereby improving prediction accuracy. Furthermore, the effect of each process parameter and anomaly class is investigated using attention-based dynamic sigmoid weighted gates to interpret the influence each class has on the final prediction. Different combinations of the in situ data were fed into the 3D-CNN, with varying amounts of image layers, to determine the ideal combination for predicting mechanical properties in situ. Here, the 3D-CNN model achieved mean absolute percentage errors (MAPE) below 5% for both UTS and YS while using only a single camera input and under half of the available image layers.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Ultra-high temperature testing and performance of L-PBF C103

Additive Manufacturing (AM) of refractory alloys is gaining traction as a materials processing route for components subject to extreme temperature environments. Due to the low oxidation resistance of refractory alloys, novel methods for evaluating their elevated temperature performance must be developed. In this work, a Gleeble® 3800 thermomechanical load frame was modified to evaluate the mechanical properties of laser powder bed fusion (L-PBF) consolidated niobium alloy C103 ranging from room temperature (RT) to 1400 °C. The fixturing and sample geometry were designed to accommodate Joule heating and prevent damage to the test chamber. Oxidation of the samples was minimized via testing in vacuum level of 1E-5 Torr. Ultimate tensile strength (UTS), yield strength (YS), elongation, and strain-hardening behavior were determined as a function of temperature. L-PBF C103 presented an average UTS of ∼650 MPa and over 25 % elongation at RT. Above RT, the UTS and YS dropped then leveled off from 500 °C to 1000 °C with values ranging from ∼400 MPa to ∼460 MPa, which is consistent with dynamic strain aging observed in this class of alloys. The strength rapidly declined after 1200 °C to ∼150 MPa at 1400 °C. Fractography indicated ductile fractures for the C103 at all test temperatures, and Electron Backscatter Diffraction (EBSD) analysis revealed a textured microstructure and the presence of dynamic recrystallization within the necked region of the sample tested at 1400 °C.

33 ADVANCED PROPULSION SYSTEMS↗
DOE OSTI2025

Effects of HCP/BCC element ratios on the room-temperature tensile properties of Ti-Zr-Hf-Nb-Ta refractory high-entropy alloys

Equiatomic and non-equiatomic Ti-Zr-Hf-Nb-Ta refractory high-entropy alloys (RHEAs) were arc melted, homogenized, cold rolled, and recrystallized to produce single-phase, body-centered cubic (BCC), microstructures with weak texture and equiaxed grains 76–199 μm in size. Here, the non-equiatomic alloys had either a 60:40 or 80:20 atomic ratio of hexagonal close-packed (HCP) elements (Ti + Zr + Hf) to BCC elements (Nb + Ta). Alloy compositions were measured after thermomechanical processing to determine the concentrations of the major (substitutional) and minor (interstitial) elements. We investigated how elastic constants and uniaxial tensile properties were affected by changes in the relative concentrations of the constituent elements at fixed HCP:BCC ratios. Yield strengths ranged from 801 to 922 MPa and ultimate tensile strengths from 815 to 933 MPa. Good agreement is obtained between the experimental yield strengths and those predicted by a strength theory based on edge dislocations indicating that the observed compositional effects are due to their effects on shear modulus and volume misfit. Fracture occurred by dimpled rupture with fracture strains of 19.4%–25.7%, but uniform strains were an order of magnitude lower at 1.1%–3.2%, calling into question the useable ductility (prior to necking) of RHEAs considered to be ductile based on their fracture strain. Contrary to predictions in the literature that HCP elements promote ductility, our present results show that increasing the HCP:BCC ratio decreases both the total strain and the uniform strain. Similar trends were not evident in the yield or ultimate strengths; rather, strengths were affected mainly by shear modulus and volume misfit.

BCC high-entropy alloys↗
DOE OSTI2024

A Modeling framework for flocculated cohesive sediment transport in the current bottom boundary layer

Cohesive sediment transport, where its settling velocity is controlled by the flocculation process, is a crucial component in determining biochemical cycles, fate of pollutants, and morphodynamics in many aquatic ecosystems. In this study, a modeling framework is presented to investigate how flocculation influences cohesive sediment transport in the current bottom boundary layer in dilute conditions, consistent with the calibration range of the flocculation model. From a local analysis of floc dynamics in homogenous turbulence, we identify that the floc size distribution is mainly controlled by floc cohesion and yield strength. The uncertainty in fractal dimension plays a minor role for the floc size but it influences the resulting floc density and settling velocity. The transport analysis in the current boundary layer shows that the flocculation process alters the vertical distribution of the settling velocity and hence the sediment concentration with a strong dependence on cohesion, floc yield strength, and floc structure. When the flocs are more susceptible to breaking, a well-mixed concentration profile is obtained. In contrast, for flocs with higher cohesion or yield strength, higher concentration with a sharp gradient is observed close to the bed. Overall, the settling velocity exhibits a low vertical variability within 20 % of the depth-averaged value except near the bed. Further, this suggests that using a depth-averaged settling velocity yields acceptable predictions of the sediment concentration profiles, especially for flocs with lower cohesion.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

Considerations for Thermal Annealing of Zr-Alloy Cladding During Dry Storage

In January 2025, the U.S. Department of Energy (DOE) sponsored a technical workshop with fuel vendors that provided a forum for increased collaboration on backend fuel cycle research. The workshop reviewed observations of thermal annealing of irradiated zirconium alloys in simulated dry storage conditions and discussed implications to the industry’s interest in reducing wet storage to optimize operational flexibility and the expected trend of increasing discharge burnup (and decay heats), which could lead to an increase in dry storage temperatures. One approach to accommodate increased decay heats in dry storage is to increase the regulatory temperature limit during dry storage, which is now 400°C. However, this could lead to thermal annealing of the cladding, which will tend to increase creep rates, creep strains, and ductility while decreasing yield strength. These considerations are compounded by bonding between the pellet and cladding at high burnup, which results in the pellet carrying more load during fuel rod deformations, especially in bending, which is the dominant deformation phenomenon in canister drop analyses. Because the U.S. Nuclear Regulatory Commission (NRC) recommends yield strength as a primary failure criterion for accident analyses in storage and transportation, particularly for canister drop scenarios, the purpose of the workshop was to develop options for alternative failure criterion that could replace yield strength in canister drop analyses. Topics discussed were (1) the regulatory framework, (2) the effect of thermal annealing on microhardness and tensile properties of cladding materials, (3) the effect of thermal annealing on fuel rod failure during bending, bending fatigue, and pinch loading, and (4) an alternative failure criterion for canister drop analyses. This paper provides a summary of the key discussions and outcomes of the workshop

Cantonwine, Paul [ORNL] (ORCID:0009000522247033)↗
DOE OSTI2025

Further Development of the Tamped Richtmyer-Meshkov Instability Method and Application to Molybdenum Dynamic Strength Calibration and Tabulation

The high pressure and high strain rate dynamic strength of Mo is experimentally and computationally investigated in the 3–20 GPa stress, 50–600 C temperature, and 10 5 –10 6 /s strain rate regimes using a modified tamped Richtmyer-Meshkov instability (RMI) method. Modifications to the tamped RMI method include a method to determine loading states during strain, a new strength calibration function based on interface shape, and a robust uncertainty quantification method. These modifications improve fidelity of the tamped RMI method, allowing evaluation of the compensating effects of pressure hardening, strain rate hardening, strain hardening, and thermal softening. The new calibration function based on interface shape is not limited to sinusoidal corrugations and could be applied to additional interface shapes. Plate impact experiments are performed at Argonne National Laboratory’s Advanced Photon Source’s Dynamic Compression Sector operated by Washington State University (DCS), driving a planar shock front through a corrugated Mo-D 2 O or Mo-C 8 F 18 interface, forcing the corrugation to significantly deform. The extent of interfacial deformation, RMI growth, is experimentally observed using X-ray phase contrast imaging at the DCS. RMI jet lengths and jet shapes are extracted from the experimental radiographs, then used to calibrate numerical simulations performed with the Sandia National Laboratories (SNL) hydrocode CTH. Mo yield strength, Y, as a function of shock pressure, P, strain rate, $\dot{\varepsilon }$, accumulated strain, ϵ, relative volumetric compression, RD , and temperature, T , is determined for each impact experiment and presented. The calibrated Mo yield strength values range 1.2–1.8 GPa, with strength generally decreasing as the impact stress increases. This trend is likely caused by thermal softening or strain localization. The tabular yield strength versus loading condition data presented in this paper can be used to fit complex strength models.

Voorhees, T. J. [Sandia National Lab. (SNL-CA), Li↗
DOE OSTI2025

Tailoring mechanical properties of a multi-principal element alloy through a multi-length-scale approach

In this study, a multi-length-scale strengthening approach was used to tailor the microstructure and the mechanical properties of a NiCoCr-based multi-principal element alloy (MPEA). Grain size refinement, severe lattice distortion, and stacking fault energy (SFE) reduction with Mo addition (up to 10 at.%) enhance yield strength by 85% with only 10% reduction in ductility in as-annealed MPEAs. A pronounced increase in the strain hardening rate was observed with the addition of Mo, which is ascribed to the promotion of complex stacking fault (SF) interaction and intersection, accompanied by Lomer-Cottrell (L-C) and Hirth locks inhibiting dislocation motion and substantial increase in the accumulation of back stress. To push the limit of the yield strength further, the Suzuki segregation phenomenon was manipulated by a careful control of SF density by pre-straining and a subsequent 500 °C heat treatment. The stress-strain responses of the pre-strained and heat treated MPEAs showed an obvious SF density and Mo concentration dependence. Furthermore, the yield strength of the pre-strained Mo-added MPEAs with subsequent heat treatment was increased up to true stress of 2.3 GPa with a corresponding fracture elongation of 12% true strain. SFs formed during pre-straining served as Cr segregation sites during subsequent heat treatment, which substantially varies the local SFE within the SF, presenting a roughened landscape and frustrating the dislocation dynamics.

mechanical properties↗
DOE OSTI2025

Temperature-dependent mechanism on hardening mitigation in thermomechanically processed 800H alloys under neutron irradiation

Irradiation induced hardening is commonly observed in structural materials, and is often associated with the degraded ductility. This study explores the role of thermomechanical processing (TMP) in mitigating irradiation-induced hardening in Incoloy 800H. The radiation response of solution-annealed and TMP-treated samples was systematically investigated to elucidate the underlying mechanisms of hardening reduction. Neutron irradiation was performed on solution-annealed and TMP-treated samples at 359, 431, and 580 °C, revealing consistently lower hardening in TMP samples. Microstructural characterization compared dislocation loops, cavities, clusters, and precipitates to assess their contributions to hardening. The strengthening contributions from individual microstructural features were estimated, and the microstructure-derived yield strength is consistent with the hardness-converted yield strength. The microstructure–properties correlation revealed the temperature-dependent primary hardening mechanism: dislocation loops dominated at lower temperature, whereas Ni3(Al,Ti) γ′ precipitates were predominant at higher temperature. TMP reduced radiation-induced hardening through two mechanisms: (1) increased sink strength from dislocations and Ti(C,N) precipitates limited dislocation loop formation at lower temperatures, and (2) reduced Ti solute within the matrix in TMP samples suppressed γ′ precipitate formation at higher temperatures. These findings identify the mechanisms governing radiation-induced hardening across different temperatures, which lays the foundation for TMP optimization for the development of advanced radiation-tolerant materials.

Zhong, Weicheng [ORNL] (ORCID:0000000231589271)↗
DOE OSTI2024

Integrated design of aluminum-enriched high-entropy refractory B2 alloys with synergy of high strength and ductility

Refractory high-entropy alloys (RHEAs) are promising high-temperature structural materials. Their large compositional space poses great design challenges for phase control and high strength-ductility synergy. The present research pioneers using integrated high-throughput machine learning with Monte Carlo simulations supplemented by ab initio calculations to effectively navigate phase selection and mechanical property predictions, developing single-phase ordered B2 aluminum-enriched RHEAs (Al-RHEAs) demonstrating high strength and ductility. These Al-RHEAs achieve remarkable mechanical properties, including compressive yield strengths up to 1.7 gigapascals, fracture strains exceeding 50%, and notable high-temperature strength retention. They also demonstrate a tensile yield strength of 1.0 gigapascals with a ductility of 9%, albeit with B2 ordering. Furthermore, we identify valence electron count domains for alloy ductility and brittleness with the explanation from density functional theory and provide crucial insights into elemental influence on atomic ordering and mechanical performance. The work sets forth a strategic blueprint for high-throughput alloy design and reveals fundamental principles governing the mechanical properties of advanced structural alloys.

Science & Technology - Other Topics↗
DOE OSTI2025

Sustainable Shape Memory Elastomers with Reduced Melt Viscosity and Enhanced Stiffness

Melt reactive processing of lignin with nitrile rubber is a promising approach to synthesizing shape memory materials. The strong intramolecular interactions in lignin macromolecular structures, caused by π–π stacking in aromatic rings and hydrogen bonding, often result in large phase separation or low miscibility with rubbers. In this study, we investigated the chemical and molecular characteristics, as well as the stiffness and complex viscosity, of modified kraft lignin melt-reacted with an acrylonitrile/butadiene copolymer containing 41% acrylonitrile (NBR41). To enhance the macromolecular compatibility of kraft lignin with NBR41, kraft lignin was cross-linked with poly(propylene glycol) diglycidyl ether (PPDE) and trimethylolpropane triglycidyl ether (TTE), both rich in epoxy reactive groups capable of forming chemical bonds with hydroxyl and carboxyl groups. Here, our findings demonstrate that the modification of kraft lignin with PPDE and TTE resulted in significantly increased stiffness of the composites. The elastic modulus of NBR41-Kraft lignin-PPDE and NBR41-Kraft lignin-TTE increased by 82 and 162%, respectively. Both the yield strength and Young’s modulus of these two samples showed dramatic improvements. Specifically, the yield strength and Young’s modulus of NBR41-Kraft lignin-TTE increased nearly 4 and 3-fold, respectively, compared to the control sample. Interestingly, despite significant improvements in mechanical properties, the viscosity of NBR41-Kraft lignin-PPDE was substantially lower than that of the control sample. At 210 °C and an angular frequency of 1 rad/s, the complex viscosity of NBR41-Kraft lignin was approximately 100.25 ± 4.77 kPa·s, while that of NBR41-Kraft lignin-PPDE was significantly lower at 56 ± 0.93 kPa·s. These findings were validated through Fourier transform infrared spectroscopy, scanning electron microscopy, dynamic mechanical analysis, thermal characterization, rheological tests, and quasi-elastic neutron scattering techniques.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Location-Specific Microstructures and Properties of Haynes 282 Alloy with Laser-Wire DED Processing

In this work, the location-specific microstructures in terms of grain morphology, texture, γ′ precipitates, carbides, and residual strains were investigated in a series of laser-wire direct energy deposition (LW-DED) Haynes 282 alloys with varied processing parameters. A bimodal grain distribution was found in these as-printed and heat-treated alloys with columnar grains within the layers and fine equiaxed grains at the interlayer regions. Dominant <001> texture along the build direction with more obvious <111> orientation preference exists at the bottom layers, compared to the top layers. The gradient γ′-precipitates size distribution contributes predominantly to the observed gradient hardness distribution in the as-printed samples. The heat-treated 282 exhibit comparable yield strengths to those conventionally-processed counterparts, while the observed small deviation in their yield strengths is attributed to the Hall-Petch effect. This work establishes the correlation between location-specific microstructures and mechanical properties, providing valuable insights into future printing parameters and heat-treatment optimization.

Haynes 282↗
DOE OSTI2026

Microstructural evolution, defect mitigation, and precipitation behavior in AA6061 via laser powder bed fusion with high-temperature substrate heating

Defects, particularly solidification cracking, remain persistent challenges in the laser powder bed fusion (LPBF) processing of AA6061 aluminum alloy. This study systematically investigates defect mitigation, microstructural evolution, and mechanical properties associated with high-temperature substrate preheating at 500 °C. Comprehensive microstructural analyses, including characterization of defects, grain structures, and precipitation behavior, were performed on samples in both as-built and T6 heat-treated states. Elevated preheating substantially reduced solidification cracking across a wide processing window, while demonstrating decreased crack sensitivity to laser parameters. Columnar cracks along the build direction were observed despite substrate preheating. Lack-of-fusion and keyhole porosity were effectively eliminated, though gas-induced microporosity persisted at higher powers. In-depth characterization of two distinct laser power and speed conditions confirmed the formation of micron-sized, non-coherent Mg 2 Si precipitates under heated substrate conditions, alongside α-AlFeCrMnSi intermetallic phases indicative of in-situ thermal effects during fabrication. Subsequent T6 heat treatment revealed the formation of fine, coherent needle-shaped β″ strengthening precipitates. Despite substantial differences in processing parameters, comparable mechanical properties were measured in the as-built samples (∼52 MPa yield strength, ∼130 MPa tensile strength), primarily due to reduced strain hardening effects and consistent precipitation characteristics. Meanwhile, the T6 heat treatment led to significant improvement in properties, enhancing yield strength by over 400%, aligning closely with the performance of conventional wrought AA6061-T6. These findings underscore that high-temperature substrate preheating offers an effective means to suppress cracks, control precipitation, and enhance mechanical performance in LPBF-processed AA6061.

36 MATERIALS SCIENCE↗
DOE OSTI2026

A theoretical study of solid solution strengthening in the refractory medium entropy alloy Nb 45 Ta 25 Ti 15 Hf 15

The refractory medium-entropy alloy (RMEA) Nb 45 Ta 25 Ti 15 Hf 15 exhibits exceptional tensile ductility and fracture toughness at ambient temperature, but its engineering applications are limited by a lack of high temperature strength. Using a machine-learning interatomic potential (MLIP) with near-density functional theory (DFT) accuracy, we conducted molecular dynamics (MD) and statics simulations of the behavior of dislocations with both screw and edge characters. We also analyze experimentally measured yield strengths using the Rao-Suzuki model and the Maresca-Curtin model modified to include a temperature-dependent shear modulus and a bulk modulus-dependent misfit volume, thereby uncovering the mechanisms underlying the yielding of this RMEA. Compared with the published experimental yield strength, the models parameterized by the MLIP effectively reproduce the experimental results over a wide temperature range. The models and MD simulations indicate that yielding is governed by screw dislocations, with dipole dragging as the dominant mechanism. In MD simulations, we observed a potential softening mechanism not considered by the Rao-Suzuki screw model: slow migration of interstitial jogs along the dislocation core, which could lead to the annihilation of vacancy and interstitial jog pairs by their combination.

BCC complex concentrated alloys↗