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Results for “Concentrated alloys”

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 127 records · Page 7
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

From suppressed void growth to significant void swelling in NiCoFeCr complex concentrated solid-solution alloy

Void swelling can result in dimensional instability and undermine the safe operation of nuclear reactors. Current strategies to inhibit void swelling mainly focus on enhancing defect absorption and recombination by introducing high-density defect sinks. Complex concentrated solid-solution alloys (CSAs), including high-entropy alloys, can withstand severe radiation damage due to their inherent chemical complexity without interfaces. However, the underlying mechanisms for void suppression in CSAs are far from clear. In this research, we studied the void evolution with respect to irradiation depths, doses, and temperatures in equiatomic NiCoFeCr under 3 MeV Ni ion irradiations. At relatively low doses (16 and 54 displacements per atom, dpa), voids form mainly outside of the ion-damaged region, and void formation in the peak damage region is suppressed, leading to negligible swelling. However, with further increase of dose (86 up to 250 dpa), significant void growth occurs in the peak damage region and extended dislocation lines dominate instead of short dislocation lines and loops formed at lower doses. From 500 to 700 °C, the dislocation density decreases while dislocations grow. Although the overall void swelling increases dramatically from 500 to 580 °C at 54 dpa, void growth in the peak damage region is still suppressed. The transition from suppressed void growth to significant void swelling is attributed to dislocation evolution and local chemical inhomogeneity (enrichment of Fe/Cr in the matrix) at higher doses. Our study shows that controlling element diffusion and defect evolution through tuning chemical complexity can further enhance the swelling resistance of CSAs.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Investigation of breakaway corrosion observed during oxide growth in pure and low alloying element content Zr exposed in water at 360°C

The addition of small concentrations of alloying elements to pure zirconium can prevent nuclear fuel cladding material from undergoing unstable oxide growth in aqueous environments at light water reactor operating temperatures. The role of alloying elements in stabilizing the oxide growth is examined in this paper, to better understand the oxide growth stabilization mechanism. To this end, a set of initial, short-duration corrosion experiments were performed, followed by oxide layer characterization. Specifically, ten model Zr alloys were selected to test the effect of small alloying additions on the alloy corrosion rate and corrosion breakaway. Additionally, these alloys were corrosion tested in pure water in an autoclave at 360°C for up to 70 days. The alloys included crystal bar Zr, sponge Zr, and model alloys with small concentrations of Sn, Fe, and Cr. After testing, the alloys were characterized using scanning electron microscopy (SEM) and synchrotron µ-X-ray fluorescence (µXRF) to study how the structure of the oxide and alloying element distribution related to unstable oxide growth. Initial results in the 360°C water environment showed breakaway oxidation may be caused by unstable oxide growth due to heterogeneous distribution of the alloying elements. Heterogeneous distribution of alloying elements was correlated to the occurrence of unstable oxide growth (either nodule-like, grain boundary penetration, or differential grain-to-grain growth). It is possible that this heterogeneity, made possible by low alloying element content, can cause breakaway corrosion, but further study is warranted.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Localized Corrosion of Chromium-Containing Conventional and Multiprincipal Element Alloys in Methanol and Aqueous Chloride Environments

The localized corrosion behavior of Type 304L stainless steel (UNS S30400), Alloy 625 (UNS N06625), and three experimental NiCoCrMo multiprincipal element alloys (MPEA), exposed to methanol/lithium chloride solutions with different water contents, is examined in this paper. Cyclic potentiodynamic polarization tests indicated that water increased the pitting and repassivation potentials and the critical temperature at which localized corrosion occurred in chloride solutions. The effect of water on repassivation potential in methanol-chloride solution depended on the chloride concentration and alloy content. At lower chloride concentration and higher alloy content, water had a greater inhibiting effect on repassivation potential, suggesting a competitive reaction between chloride and water on the metal surface in the pit. The localized corrosion resistance of the MPEAs followed the same trend as that of commercial stainless steels and Ni-base alloys in terms of the effect of alloying elements. The implications of these results on the mechanisms of localized corrosion are discussed.

Materials Science↗
DOE OSTI2020

Temperature effects on damage evolution in ion-irradiated NiCoCr concentrated solid-solution alloy

In this work, the damage evolution in equiatomic NiCoCr single crystals irradiated at 138 and 500 K with 1.5 MeV Ni+ ions has been investigated using ion channeling analysis and compared with previous results obtained at 300 K under identical irradiation conditions. As expected, irradiation temperature has a major influence on damage evolution and long-range effects in ion-irradiated NiCoCr. A change in relative irradiation resistance as a function of temperature is revealed when the ion channeling data are compared with previous ion channeling results from Ni-irradiated NiFe at 150, 300 and 500 K. Additionally, NiCoCr has superior irradiation resistance than NiFe under ion irradiation at ≤ 300 K; surprisingly, the relative irradiation resistance is reversed under ion irradiation performed at > 300 K (i.e., 500 K), which may be attributed to local chemical ordering. These observations indicate that the NiFe alloy exhibits a more favorable chemical environment for suppressing deleterious microstructural degradation under high temperature irradiation than the NiCoCr alloy.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Analysis of the Surface Morphology and Chemical Composition of Zr-Nb3Sn Alloys with Zr Different Concentrations

The inclusion of zirconium (Zr) in niobium-tin (Nb3Sn) significantly enhances the performance of Nb3Sn radiofrequency cavities in high magnetic fields. This research project is dedicated to characterizing the surface properties and chemical composition of Zr-doped Nb3Sn. Two different concentrations of Zr were used for doping: approximately 0.5% and 24%. Various spectroscopy techniques were employed to analyze how the surface morphology and chemical composition of Nb3Sn change with increasing Zr content. The findings of this study indicate that the grain size decreases as the Zr concentration increases. In samples with 24% Zr, nanometer-sized particles, likely oxides, were observed. X-ray photoelectron spectroscopy (XPS) data revealed that the thickness of niobium oxides (NbOx) decreases with increasing Zr, while the thickness of tin oxides (SnOx) increases. Additionally, grain size distribution analysis showed that the average grain size is around 5300 nm , with a grain area density of about 165 grains/μm .

Sue, Micah↗
DOE OSTI2024

Analysis of the Surface Morphology and Chemical Composition of Zr-Nb3Sn Alloys with Zr Different Concentrations

The Zr inclusion in Nb3Sn can improve the high magnetic field performance of Nb3Sn radio frequency cavities. The focus of this project is to characterize the surface properties and chemical composition of Zr-Nb3Sn. Nb3Sn was doped with two different concentrations of Zr. ~0.5%, and ~24% Zr. Various spectroscopy techniques were used to examine how the surface morphology and chemical composition changes with increasing Zr fraction in Nb3Sn.

Sue, Micah↗
DOE OSTI2020

The role of low Gd concentrations on magnetisation behaviour in rare earth:transition metal alloy films

The magnetisation reversal behaviour as a function of composition was studied in low rare earth concentration alloys. 30 nm thick rare earth:transition-metal films of composition GdxCo 100-x , GdxFe 100-x and Gd x (Co 50 Fe 50 ) 100-x were prepared by magnetron sputtering, where x ranged from 4 to 13 atomic%. Magnetisation behaviour was studied using MOKE and Hall hysteresis measurements. The magnetic reversal behaviour as a function of Gd content is strongly dependent on the transition metal. With increasing Gd content the film structure transitions from crystalline to amorphous and the saturation magnetisation decreases linearly. For GdCo, the reversal field, Hc, increases by less than a factor of two with Gd doping of 11%, while for Fe, the coercivity falls by a factor of ten with 8% Gd. This may be attributed to changes in the crystalline morphology. GdCoFe shows a similar trend with Gd doping for the in-plane reversal field to that of GdFe. With 13% Gd in Fe there is evidence indicating the presence of a weak perpendicular magnetic anisotropy, PMA. With Gd doping the anomalous Hall resistivity of Co, Fe and CoFe increases significantly with the largest increase observed for GdCoFe.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2024

Understanding Twinning and Deformation in High Entropy Alloys

A combination of high strength and high ductility has been observed in multi-principal element alloys due to twin formation attributed to low stacking fault energy (SFE). In the pursuit of low SFE alloys, a key bottleneck is the lack of understanding of the composition–SFE cor- relations that would guide tailoring SFE via alloy composition. Using density functional theory (DFT), we show that dopant radius, which have been postulated as a key descriptor for SFE in dilute alloys, does not fully explain SFE trends across different host metals. Instead, charge density is a much more central descriptor. It allows us to (1) explain contrasting SFE trends in Ni and Cu host metals due to various dopants in dilute concentrations, (2) explain the large SFE variations observed in the literature even within a given alloy composition due to the nearest neighbor environments in “model” concentrated alloys, and (3) develop a machine learning model that can be used to predict SFEs in multi-elemental alloys. This model opens a possibility to use charge density as a descriptor for predicting SFE in alloys. Furthermore, a descriptor-less machine learning (ML) model based only on charge density images extracted from density functional theory (DFT) is developed to predict stacking fault energies (SFE) in concentrated alloys. The model is based on convolutional neural networks (CNNs) as one of the promising ML techniques for dealing with complex images and data. Identification of correct descriptors is a key bottleneck to develop ML models for predicting materials properties. Often, in most ML models, textbook physical descriptors such as atomic radius, valence charge and electronegativity are used as descriptors which have limitations because these properties change in concentrated alloys when multiple elements are mixed to form a solid solution. We illustrate that, within the scope of DFT, the search for descriptors can be circumvented by electronic charge density, which is the backbone of the Kohn-Sham DFT and describes the system completely. The performance of our model is demonstrated by predicting SFE of concentrated alloys with an RMSE and R2 of 6.18 mJ/m2 and 0.87, respectively, validating the accuracy of the proposed approach.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Atomistic simulations and machine learning of solute grain boundary segregation in Mg alloys at finite temperatures

Understanding solute segregation thermodynamics is the first step in investigating grain boundary (GB) properties, such as strong yttrium (Y) effects on grain growth and texture evolution in micro-scale polycrystalline magnesium (Mg) alloys. To estimate the average GB segregation behavior in low-solute-concentration Mg alloys (e.g., 2 at.% Y), a state-of-the-art spectral approach is applied based on a per-site segregation energy spectrum for Y solute atoms at zero K obtained from molecular statistics (MS) simulations of ~10 4 GB sites in Mg symmetric tilt GBs (STGBs). Although selected MS simulation results are consistent with verification by density functional theory (DFT) calculations, estimates of average segregation tendency based on the zero-K energy spectrum deviate from experimental observations. To resolve this problem, thermodynamic integration (TI) methods based on molecular dynamics (MD) simulations are used to determine the per-site segregation free energies of Y at representative GB sites, which show contributions beyond harmonic approximations can be important for certain GB sites at high temperatures. A surrogate model of per-site segregation free energy is constructed from a small set of TI data points using stacking cross-validation regressors and physics-informed descriptors. This model is applied to predict the Y segregation free energy spectra for thousands of GB sites in Mg STGBs with uncertainty quantification. Finally, the average segregation tendency predicted by the spectral approach based on the free energy spectra agrees well (within the uncertainty range) with experimental observations for micro-scale polycrystalline Mg alloys at typical thermomechanical processing temperatures (500 ~ 800 K), where thermodynamic equilibrium states are likely to be achieved due to fast diffusion.

Atomistic simulations↗
DOE OSTI2020

Corrosion of Commercial Mg–Al Alloys: AZ31B, AM60, and AZ91D

Aqueous corrosion, atmospheric corrosion, and ionic liquid dissolution studies were performed on commercial alloys AZ31B, AM60, and AZ91D and compared with previously reported results for single-phase binary Mg–Al alloys containing similar Al concentrations (αMg-2 at% Al, αMg-5 at% Al, and Mg-8 at% Al). Polarization studies in 0.6 M NaCl were used to characterize the aqueous free corrosion behavior during 20-h free immersion. Accelerated corrosion testing was performed using a rotating-disk electrode which revealed the evolution of an Al-rich mud-cracking and platelet morphology. Atmospheric droplet testing showed rapid pH increases that depended on the Al concentration in the alloy. Time-dependent contact angle measurements showed that the degree of droplet wetting increased during free corrosion by ~50° over 20 h in 0.6 M NaCl. Ionic liquid dissolution studies in 1:2 M choline chloride:urea deep eutectic solvent were performed in order to examine the current-voltage behavior of these alloys in the absence of water and hydrogen reduction. The results of these studies revealed the formation of nanowire corrosion morphologies within a honeycomb lattice structure which we attribute to selective dissolution of Mg via a two-dimensional stepflow process

25 ENERGY STORAGE↗
DOE OSTI2024

Heterogeneous Morphologies and Hardness of Co-Sputtered Thin Films of Concentrated Cu-Mo-W Alloys

Heterogeneous microstructures in Cu-Mo-W alloy thin films formed by magnetron co-sputtering immiscible elements with concentrated compositions are characterized using scanning transmission electron microscopy (STEM) and nanoindentation. In this work, we modified the phase separated structure of a Cu-Mo immiscible system by adding W, which impedes surface diffusion during film growth. The heterogeneous microstructures in the Cu-Mo-W ternary system exhibited bicontinuous matrices and agglomerates composed of Mo(W)-rich phase. This is unique, as these are the slower-diffusing species, contrasting past reports of binary Cu-Mo thin films that exhibited Cu-rich agglomerates. The bicontinuous matrices comprised of Cu-rich and Mo(W)-rich phases exhibited bilayer thicknesses of less than 5 nm. The hardness of these thin films measured using nanoindentation is reported and compared to similar multilayers and nanocomposites in binary systems.

36 MATERIALS SCIENCE↗
DOE OSTI2025

High Radiation Resistance in the Binary W‐Ta System Through Small V Additions: A New Paradigm for Nuclear Fusion Materials

Abstract Refractory High‐Entropy Alloys (RHEAs) are promising candidates for structural materials in nuclear fusion reactors, where W‐based alloys are currently leading. Fusion materials must withstand extreme conditions, including i) severe radiation damage from energetic neutrons, ii) embrittlement due to H and He ion implantation, and iii) exposure to high temperatures and thermal gradients. Recent RHEAs, such as WTaCrV and WTaCrVHf, have shown superior radiation tolerance and microstructural stability compared to pure W, but their multi‐element compositions complicate bulk fabrication and limit practical use. In this study, it is demonstrated that reducing alloying elements in RHEAs is feasible without compromising radiation tolerance. Herein, two Highly Concentrated Refractory Alloys (HCRAs) − W 53 Ta 44 V 3 and W 53 Ta 42 V 5 (at.%) − were synthesized and investigated. We found that small V additions significantly influence the radiation response of the binary W–Ta system. Experimental results, supported by ab‐initio Monte Carlo simulations and machine‐learning‐driven molecular dynamics, reveal that minor variations in V content enhance Ta–V chemical short‐range order (CSRO), improving radiation resistance in the W 53 Ta 42 V 5 HCRA. By focusing on reducing chemical complexity and the number of alloying elements, the conventional high‐entropy alloy paradigm is challenged, suggesting a new approach to designing simplified multi‐component alloys with refractory properties for thermonuclear fusion applications.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2023

Microstructural evolution and transmutation in tungsten under ion and neutron irradiation

This study aims to compare the effects of neutron and self-ion irradiation on the mechanical properties and microstructural evolution in W. Neutron irradiation at the HFR reactor to 1.67 dpa at 800 °C resulted in the formation of large Re and Os rich clusters and voids. The post-irradiation composition was measured using APT and verfified against FISPACT modelling. The measured Re and Os concentration was used to create alloys with equivalent concentrations of Re and Os. These alloys were exposed to self-ion irradiation to a peak dose of 1.7 dpa at 800 °C. APT showed that self-ion irradiation leads to the formation of small Os clusters, wheras under neutron irradiation large Re/Os clusters form. Voids are formed by both ion and neutron irradiation, but the voids formed by neutron irradiation are larger. By comparing the behaviour of W-1.4Re and W-1.4Re-0.1Os, suppression of Re cluster formation was observed. Irradiation hardening was measured using nanoindentation and was found to be 2.7 GPa, after neutron irradiation and 1.6 GPa and 0.6 GPa for the self-ion irradiated W-1.4Re and W-1.4Re-0.1Os. The higher hardening is attributed to the barrier strength of large voids and Re/Os clusters that are observed after neutron irradiation.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Progress in Understanding the Origins of Excellent Corrosion Resistance in Metallic Alloys: From Binary Polycrystalline Alloys to Metallic Glasses and High Entropy Alloys

Some of the factors responsible for good corrosion resistance of select polycrystalline and emerging alloys in chloride solutions are discussed with a goal of providing some perspectives on the current status and future directions. Traditional metallic glass alloys, single phase high entropy alloys (HEAs), early metallic glasses, and high entropy metallic glasses are all emerging corrosion-resistant alloys (CRAs) that utilize traditional strategies for improved corrosion resistance as well as take advantage of some other novel beneficial attributes. These materials enjoy many degrees of freedom as far as choice of both composition and structure, providing great flexibility in the pursuit of superior corrosion resistance. The new materials depart from classical solvent-solute type polycrystalline binary or ternary alloys. Thus, such emerging materials provide significant opportunities to achieve even greater improvements in corrosion resistance in harsh environments. Several examples of the unique corrosion properties of selected materials in the context of modern theories of corrosion are discussed herein. Discussion is restricted to solid-solution binary or ternary polycrystalline alloys, several metallic glass alloys, and single phase HEAs. A common feature of many CRAs is that composition and microstructure often affect both passivity and resistance to localized corrosion that can be divided into initiation, stabilization, and propagation stages. Enormous complexities in protective oxide structures and chemistries and the large number of combinatorial possibilities in newer materials such as HEAs preclude trial-and-error approaches and perhaps even combinatorial experimental design. Computational materials methodologies will be required in the search for new corrosion-resistant alloys in these material classes. The search must consider the best scientific insights available regarding how major and minor alloy additions, as well as various microstructural attributes, contribute to corrosion mitigation. Additional scientific insights, as they emerge, will enable choices beyond the reliance on high concentrations of alloying elements that are known to affect passivity breakdown and pit stabilization. A challenge is to connect the “basic attributes” of an alloy with its properties. The strength of this connection will likely require new scientific principles enabling deep multiphysics insights in order to link feature(s) such as composition and metallurgical phases to the desired corrosion properties. Application of data informatics will likely also play a role given the plethora of variables that are important in corrosion and the difficulty in assessing all relationships. Here, the opportunity exists to accelerate the design of emerging materials for high corrosion resistance.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Atomistic study of silicon alloying in the spallation behavior of nanocrystalline aluminum systems

Here, the effect of concentration of the alloying element silicon (Si) on the shock and spall response of aluminum (Al) is studied using classical molecular dynamics (MD) simulations. Silicon is distributed as individual grains and as grain boundaries and the dynamic response under shock is studied for an impact velocity of 1000 m/s. A general trend observed here is that the spallation is almost exclusively intergranular and limited to Al-Si interfaces. The spall strengths are observed to a) decrease with an increase in alloying of Si as grains and b) show little increase for up to 50% grain boundary segregation. An increase in grain size of the whole system showed negligible differences in spall strength, highlighting the significance of concentration of the alloying species rather than its grain size. These results provide an atomistic understanding of light-weight metallic systems under shock compression and pave the way for designing multiphase metal matrix alloys and composites for defense/armor applications.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Phase-field modeling of radiation-induced segregation for multicomponent alloys

Structural alloys under irradiation are known to undergo radiation-induced solute redistribution (RIS) at grain boundaries, leading to detrimental effects such as intergranular corrosion and stress-assisted cracking. To better understand the phenomenon, improved models of RIS applicable to concentrated, multicomponent alloys, and mesoscale microstructures are needed. In this talk, we present a novel grand-potential-based phase-field model to account for the complete set of multicomponent kinetic and thermodynamic couplings between atoms and point defects in the Onsager transport equations. We demonstrate multiscale modeling capability by deriving the Onsager coefficient matrix from atomistic-based Kinetic Monte Carlo simulations. Model predictions and validations of RIS and the effect of defect production, grain boundary sink strength and density are demonstrated for a model FCC FeCrNi system. We also demonstrate the novel capability to describe RIS in the presence of equilibrium segregation described using a density-based CALPHAD thermodynamic framework. This modeling approach overcomes certain limitations in conventional RIS models and provides a step closer towards multiscale modeling.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2023

Synchrotron X-ray diffraction analysis of constituent phases in transition joint between nickel alloy 738LC and a MnFeCoNiCu alloy

Synchrotron x-ray diffraction (XRD) analysis was performed on transition joints between a single-phase MnFeCoNiCu alloy and Ni-base Alloy 738LC to efficiently identify the constituent phases across the interface, with different levels of material intermixing generated by laser-welding with variable power. Here, the intermixing extent was quantified by postmortem energy dispersive x-ray spectroscopy mapping. Diffraction-based analyses on complex composition spaces with limited prior data present significant challenges because elemental substitution in both disordered and ordered phases is more extensive than in conventional alloy spaces, which may effectuate relatively large shifts in the observed lattice parameters that convolute the analysis. Therefore, thermodynamic simulations and crystallographic literature data were employed to construct a system-specific diffraction library of twelve prospective phases for the composition space investigated. Subsequently, for predicted disordered cubic phases, statistical hard-sphere models were established to estimate the lattice parameters and predict diffraction peak positions for inclusion in the library. The library was then employed to analyze diffraction profiles measured from the variably intermixed transition joints, with focus on accounting for both high and low-intensity peaks. 99.0 % of diffraction peaks with relative intensity greater than 0.001 were assigned to phases from the system-specific library, exemplifying rigorous peak accounting and indicating that no unexpected phases were present. Up to six of the twelve library phases were experimentally found in the transition joints. The lattice parameters predicted by the statistical hard-sphere model based upon thermodynamic simulations agree reasonably well with the measured values for the disordered FCC matrix phase.

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↗