Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “ALLOY”

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

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 1,297 records · Page 72
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

A combined machine learning and density functional theory study of binary Ti-Nb and Ti-Zr alloys: Stability and Young’s modulus

The multicomponent Ti alloys, specifically the -phase, have experienced a strong growth over the last decades, due to their outstanding properties of ultra-high strength and low Young’s modulus. These properties play a significant role in many aerospace and biomedical applications. Selection and optimization of multicomponent alloys is challenging due to the vast chemical and compositional space. Here we investigate the use of machine learning techniques informed by density functional calculations to guide the selection of Nb- and Zr-based Ti binary alloys. From the cubic structures obtained from high throughput calculations and literature, we identify several structures with Young’s moduli below 40 GPa. The multivariant decision tree methods provide efficient surrogate models to identify structure variables have high influences on the energetic stability and Young’s modulus. Furthermore, we implement a workflow of incorporating DFT provided results and machine learning method to explore the chemical and composition space of other binary and multicomponent alloys, to eventually accelerate the material design via taking advantages of identified key variables.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Edge dislocation mediated anomalous charge transfer in face centered cubic high entropy alloys

The charge transfer in alloys dictates their structural and functional properties. The presence of the line defect can influence the charge transfer characteristics in alloys. The edge dislocation-volume misfit interaction in high entropy alloys is a critical area of interest concerning the development of accurate solid solution strengthening models for these materials. The evolution of the volume misfit of atoms is either studied empirically using Vegard's law or mechanistically using \emph{ab initio} calculations, without considering the effect of edge dislocation on charge transfer explicitly. In this work, we show the influence of edge dislocation on the charge transfer in CoCrFeMnNi, CoCrNi and CoNi using large-scale \emph{ab initio} calculations. The anomalous charge transfer characteristics, in terms of deviations from electronegativity trends, are demonstrated, which are dictated by electronegativity equalisation rather than pair-atom interactions. The deviation of atomic volume in the compressive and tensile stress regions of the edge dislocation is rationalised in terms of anomalous magneto-volume fluctuations in such alloys.

Ghosh, Swarnava [ORNL] (ORCID:0000000338005264)↗
DOE OSTI2021

Sluggish, chemical bias and percolation phenomena in atomic transport by vacancy and interstitial diffusion in Ni-Fe alloys

In this paper, we report the results of extended atomistic modeling of intrinsic mobility of point defects and associated atomic transport in Ni-Fe model binary alloys. We consider the effects of composition and temperature and present evidence of the sluggish and chemically biased diffusion, and percolation effects occurring in atomic transport via the vacancy and interstitial migration mechanisms. The results are analyzed and discussed in the light of previous studies and some experimental observations. It is demonstrated that the sluggish diffusion, the chemically biased diffusion, and the percolation are interlinked phenomena that are defined by the chemical complexity of particular alloys. Methods for predicting these phenomena in multicomponent alloys are discussed.We report a fundamental understanding of sluggish diffusion, chemically-biased diffusion, as well as percolation phenomena, in Ni-Fe random alloys for vacancy and interstitial atom migration mechanisms.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Alloy designs for high temperature Mo-base systems

For high temperature applications Mo base alloy requirements include both superior structural performance and environmental resistance. To address these requirements alloys in the Mo-Si-B system and refractory multi-principal element alloys (RMPEA) are being developed that exhibit a promising potential, but also have some remaining challenges to improve ductility, lower density and enhance environmental resistance. In the Mo-Si-B system microstructures with a Mo solid solution (Moss) Mo 3 Si and Mo 5 SiB 2 (T2) phases have been the focus of attention. However, the Si solubility in the Moss phase diminishes the ductility and toughness. In order to address this issue a new design based upon Moss, Mo 2 B and T 2 phases lowers the Si solubility in the Moss to improve ductility while the T 2 phase maintains the oxidation performance. Selected additions of Al and Ti enable a density reduction to below 8 g/cm 3 . The RMPEA designs for Mo-rich alloys provide for excellent structural performance, but the complex oxidation products provide no protection. However, in this case a new coating design has been introduced that provides the required environmental resistance.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Engineering Multi-scale B2 Precipitation in a Heterogeneous FCC Based Microstructure to Enhance the Mechanical Properties of a Al0.5Co1.5CrFeNi1.5 High Entropy Alloy

While ordered L12 or gamma prime precipitates in face centered cubic (FCC) based microstructures have been extensively used for strengthening Nickel or Cobalt base superalloys, and more recently in high entropy alloys (HEAs) or complex concentrated alloys (CCAs), the possibility of exploiting ordered B2 precipitates in FCC-based systems has been relatively less investigated. The present study shows the propensity of developing a heterogeneous microstructure, consisting of two different distributions of FCC grain sizes, and two different size scales of B2 precipitates, within an FCC-based Al0.5Co1.5CrFeNi1.5 HEA/CCA. This alloy composition has been designed using solution thermodynamics-based modeling such that it has a high phase fraction and solvus temperature of the B2 phase. The resulting heterogenous microstructure exhibited an approximately 400% increase in yield strength with respect to the single-phase FCC solid solution condition of the same alloy while maintaining very good tensile ductility ~20 %.

Dasari, Sriswaroop↗
DOE OSTI2020

MnBi-based magnets prepared from melt-spun alloys: Effect of $α → β$ phase transformation during field annealing

The temperature of the annealing treatment applied to the MnBi alloys with the intention to stabilize the α -MnBi “low-temperature” phase – a promising material for the rare-earth-free permanent magnets – is usually kept below the range of the β -Mn 1.08 Bi “high-temperature” phase. This work is focused on the investigation of the effects of partial and complete α → β phase transformation in bulk magnetic-field-annealed magnets on their structure and magnetic properties. MnBi alloys modified with In, Mg and Sb were melt-spun, compacted to their full density and then heated in a magnetic field of 30 kOe to temperatures sufficiently high for the beginning of the α → β transformation. A heating of 15 °C/min was used which was immediately followed by cooling at the rate of 7.5 °C/min; the degree of the phase transformation was measured by in situ monitoring of changes in the sample magnetization. In all the studied alloys, the α → β transformation was found to improve the [0 0 1] fiber texture induced by the applied magnetic field, although it simultaneously decreased the coercivity. A partial transformation has resulted in a 11% increase of the maximum energy product for the Mn 50 Bi 49 Sb 0.5 In 0.5 magnet, to 8.3 MGOe, and a 3% increase for the Mn 50 Bi 46 Mg 3 Sb 0.5 In 0.5 magnet, to 12.8 MGOe. In the latter alloy, the α → β and reverse transformations were found to initially occur in well-defined pockets leading to clusters of large, highly textured α crystallites. In the Mn 50 Bi 48.5 Sb 1.5 magnet, only part of the α phase could be recovered after the transformation, which instead promoted the paramagnetic MnBi 0.9 Sb 0.1 phase.

36 MATERIALS SCIENCE↗
DOE OSTI2025

A snapshot of high-entropy alloy processing techniques and their effects on resulting mechanical properties

High-entropy alloys (HEAs) exhibit exceptional strength, corrosion resistance, and thermal stability, making them promising candidates for nuclear, aerospace, and other extreme applications. While most prior work has focused on compositional design, manufacturing techniques themselves can alter microstructure and mechanical properties as dramatically as alloy chemistry. This review compiles and compares the effects of processing routes—including arc melting, induction melting, mechanical alloying with spark plasma sintering, and additive manufacturing—on the structure and properties of HEAs. Quantitative comparisons highlight, for example, that SPS-processed alloys can achieve ∼20–45 % higher yield and tensile strength than arc-melted counterparts, while Bridgman solidification produces nearly single-crystal structures with elongation to failure exceeding 80 %. Additive manufacturing routes such as selective laser melting offer fine microstructures but also introduce anisotropy and porosity, leading to yield strengths spanning 100–600 MPa for the same composition. By synthesizing such results, this review provides actionable insight into how processing routes interact with HEA core effects (high entropy, lattice distortion, sluggish diffusion, and cocktail effect) to determine performance, thereby offering a practical guide for optimizing manufacturing strategies.

36 MATERIALS SCIENCE↗
DOE OSTI2026

The effect of varying powder feedstock chemistry and printing atmosphere on the microstructure of additively manufactured nickel-based ODS alloys: Role on stabilization of cellular structures vs. oxide dispersion formation

Nickel-based alloys have a wide variety of structural applications due to their high corrosion resistance and mechanical strength which depend on solid solution strengthening, or the formation of oxides and/or intermetallic precipitation for their properties. In this study, the microstructure of six Ni–Cr–Y–Ti–Al powder batches designed for the production of oxide dispersion strengthened nickel were compared. These batches varied in chemistry and atomization technique used which included Gas Atomization Reactive Synthesis (GARS). The batches of powder were then consolidated via Additive Manufacturing (AM) Powder Bed Fusion using Laser Beam (PBF-LB) and characterized via transmission electron microscopy to elucidate the influence of powder feedstock (i.e. synthesis methodology and chemistry) on the PBF-LB microstructure. The study investigates (i) how the amount of yttrium and titanium additions in the powder feedstock and the addition of oxygen during the processing (through GARS) affect the microstructure of the powder itself and the AM printed microstructure, and (ii) how the control of oxygen addition in the printing atmosphere during the PBF-LB printing process itself is another important parameter for achieving the formation of the wanted oxide dispersion versus the stabilization of the cellular structure (often observed in AM processed alloys). Microstructural characterization of both powder particles and additively manufactured nickel alloys in this study provide important insights into the movement of yttrium within the material upon solidification, particularly along cell boundaries, and how yttrium behaves depending on alloy chemistry. When a threshold of yttrium content is reached within the system, yttrium consistently reacts to form an intermetallic along cell boundaries instead of forming oxide nanoparticles.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Nd, SbNd and Sb 3 Nd 4 and their interactions with the cladding alloy HT9

Lanthanide fission products, such as neodymium, formed during the irradiation of metallic fuels are known to cause deleterious effects from chemical interactions occurring at the fuel-cladding interface; a phenomenon known as fuel-cladding chemical interaction (FCCI). The use of fuel-based additives that bind with the lanthanide elements within the fuel meat, alleviating their interactions at the fuel-cladding interface, is one potential method proposed to mitigate the FCCI phenomenon and extend the burnup potential of such metallic fuel systems. In this study, antimony (Sb) is evaluated as one such additive, and neodymium (Nd) is used to represent the lanthanides. A Sb-Nd alloy is fabricated, which consists of two intermetallic phases, SbNd and Sb 3 Nd 4 . Isothermal diffusion couple experiments are carried out at 675 °C for 24 h between Nd and the Fe-12Cr based HT9 cladding alloy. The results are compared against similar diffusion couple experiments carried out between the Sb-Nd alloy and also HT9. Inter-diffusion between Nd/HT9 diffusion couple is characterized and the phases Fe 17 Nd 5 and Fe 17 Nd 2 were found to form whereas no interactions were observed in the Sb-Nd/HT9 diffusion couple. The lack of compound forming tendencies between Fe, the primary alloying constituent of HT9, and SbNd is elucidated through density functional theory (DFT) calculations on enthalpy of mixing, aligning well with the experimental observations. Lastly, the strong binding of Nd with Sb appears to be favorable, alleviating Nd interactions with HT9 constituent elements.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2020

Atom probe tomography characterization of ion and neutron irradiated Alloy 800H

Alloy 800H is a high temperature and creep resistant alloy, and is considered as a candidate alloy for use in Generation IV nuclear reactor systems. To clarify the alloy's behavior under irradiation, samples were subjected to single ion irradiations up to 20 dpa at 440°C, a dual ion/He irradiation to 17 dpa at 460°C, and a neutron irradiation to 17 dpa at 385°C. The irradiated microstructures were characterized using atom probe tomography to complement previously published transmission electron microscopy studies. Additionally, after single ion irradiation, sparse fine Al and Ti clusters were observed after 1dpa, while high number densities of nanoscale Ni-Al-Ti clusters, Cr-Ti rich carbides, and Si-decorated dislocation loops developed after 10 and 20 dpa. The microstructure formed during single ion irradiation exhibited a strong depth dependence. No significant differences were observed between the single and dual ion irradiations. While Ni-Al-Ti clusters, Cr-Ti rich carbides, and Si-decorated dislocation loops were also observed after neutron irradiation, the neutron-irradiated microstructure differed from those found in the ion-irradiated samples.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Ab initio study of tungsten-based alloys under fusion power-plant conditions

Tungsten (W) is considered a leading candidate for structural and functional materials in future fusion energy devices. The most attractive properties of tungsten for magnetic and inertial fusion energy reactors are its high melting point, high thermal conductivity, low sputtering yield, and low long-term disposal radioactive footprint. However, tungsten also presents a very low fracture toughness, primarily associated with intergranular failure and bulk plasticity, limiting its applications. In recent years, several families of tungsten-based alloys have been explored to overcome the aforementioned limitations of pure tungsten. These include tungsten-based high-entropy alloys (W-HEAs) and tungsten-based Self-passivating Metal Alloys with Reduced Thermo-oxidation or “SMART alloys” (W-SAs). Given their proximity to the plasma, it is crucial to understand how the exposure of these candidate plasma-facing materials (PFMs) to the neutron fluxes expected in fusion reactors impacts their material behavior over time. In this work, we present a computational approach that combines inventory codes and first-principles DFT electronic structure calculations to understand the behavior of transmuting tungsten-based PFMs. In particular, we calculate the changes in the chemical composition, production uncertainties, the elastic and ductility properties, and the density of states for five tungsten-based PFMs when exposed to EU-DEMO fusion first wall conditions for ten years.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2023

Corrosion property of Alloy 625 in Molten FLiNaK salt according to the Tellurium Concentrations

For this work, the corrosion properties of Alloy 625 have been studied in molten FLiNaK salt for 48 h at 700 °C as a function of tellurium (Te) concentrations using immersion tests and electrochemical methods. Under specific Te concentrations, we found that Te-induced corrosion can be suppressed and help protect the alloy against corrosion. The sample after the immersion test containing 0.1 wt.% Te (0.1 wt.% Te sample) had the lowest corrosion depth and mass loss, coupled with the highest charge transfer resistance, obtained using electrochemical impedance spectroscopy (EIS). On the other hand, the alloy with Te content above 0.1 wt.% exhibited severe corrosion penetration and lower charge transfer resistance in FLiNaK. Based on thermodynamical and electrochemical analyses, a corrosion mechanism of Alloy 625 in the molten salt containing Te was theorized involving the formation of stable corrosion products such as Ni/Fe rich layer depleted in Cr, nickel telluride, and chromium oxide.

Hong, Minsung↗
DOE OSTI2024

Hydrogen permeation in iron-chromium-aluminum (FeCrAl) alloys and the effects of microstructure and surface oxide

Iron–chromium–aluminum (FeCrAl) class alloys are candidates for use as cladding for accident-tolerant fuels and moderators. In this context, hydrogen isotope permeation in FeCrAl alloys is an important material property. Here, in the present work, the apparent permeability, effective diffusivity, and apparent solubility of hydrogen in the FeCrAl alloys C26M and Kanthal D (KD) were measured with gas-driven hydrogen permeation. Permeation measurements were conducted at temperatures of 400 to 700 °C and at gas-driven pressures from 1 to 100 kPa. In particular, the effect of grain size on hydrogen transport was studied with KD samples with three different microstructures: nanocrystalline (NC), ultra-fine grained (UFG), and coarse-grained (CG). The UFG and NC specimens had higher apparent activation energies (73.4 kJ mol -1 and 65.2 kJ mol -1 , respectively) for hydrogen permeability than the CG sample (46.9 kJ mol -1 ). An aluminum oxide layer formed on the primary- and secondary-side surfaces of all samples subjected to permeation experiments which demonstrated the propensity of FeCrAl alloys to form these innate oxide permeation barriers.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2021

Core-shell metallic alloy nanopillars-in-dielectric hybrid metamaterials with magneto-plasmonic coupling

Combining plasmonic and magnetic properties, namely magneto-plasmonic coupling, inspires great research interest and the search for magneto-plasmonic nanostructure becomes considerably critical. In this work, we designed a nanopillar-in-matrix structure with core–shell alloyed nanopillars for both BaTiO 3 (BTO)-Au 0.5 Co 0.5 (AuCo) and BTO-Au 0.25 Cu 0.25 Co 0.25 Ni 0.25 (AuCuCoNi) hybrid systems, i.e., ferromagnetic alloy cores (e.g., Co or CoNi) with plasmonic shells (e.g., Au or Au/Cu). These core–shell alloy nanopillars are uniformly embedded into a dielectric BTO matrix to form a vertically aligned nanocomposite (VAN) structure. Both hybrid systems present excellent epitaxial quality and interesting multi-functionality, e.g., high magnetic anisotropy, magneto-optical coupling response, tailorable plasmonic resonance wavelength, tunable hyperbolic properties and strong optical anisotropy. These alloyed nanopillars-in-matrix designs provide enormous potential for complex hybrid material designs with multi-functionality and demonstrate strong interface enabled magneto-plasmonic coupling along with plasmonic and magnetic performance.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Deformation mechanisms in single crystal Ni-based concentrated solid solution alloys by nanoindentation

Nanoindentation is a critical technique to probe mechanical properties at the micrometer and sub-micrometer scales, accompanied by challenges from indentation size effect, pile-up/sink-in effect, and strain rate sensitivity. In this work, different nanoindentation techniques have been employed to explore Ni-based concentrated solid solution alloys (CSAs) with the addition of 3d transition metal elements including Co, Cr, Mn, and Fe, including unique single-crystal Ni, NiCo, NiFe, Ni 80 Cr 20 , and NiCoFeCr samples with (100) surfaces. A procedure of nanoindentation tests and data analysis/correction have been developed, and a data set of hardness, elastic modulus, strain rate sensitivity, and activation volume for Ni-based CSAs are provided, including the less explored binary alloys such as Ni 80 Cr 20 and Ni 80 Mn 20 . The results show that the type of alloying elements is more critical than the number of elements in strengthening: Co does not provide strengthening in NiCo, while Cr, Mn, and Fe are effective strengthening elements. Cr is the most effective among all the 3d transition metal elements. Furthermore, atomic-level lattice distortion is responsible for the strengthening and the role of stacking fault energy is insignificant in Ni-based CSAs at room temperature. In summary, nanoindentation shows increasing promise as a reliable and fast tool to provide comprehensive mechanical information for new alloy design and development.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Chromium enhances the mechanical performance of 3d transition metal high entropy alloys

A comprehensive examination of the compositional effects on the deformation behavior of high entropy alloys (HEAs) was conducted through nanoindentation, indentation creep, and stress relaxation experiments at ambient temperature. The alloys investigated included NiCoFe, NiCoCr, NiCoCrFe, and NiCoCrFeMn, all of which underwent identical thermomechanical processing. From the experimental results, NiCoCr exhibited the highest maximum shear stress for dislocation nucleation (13 GPa) and nanoindentation hardness (3.8 GPa) among the alloys tested. It also showed the lowest stress sensitivity (0.02) and activation volume (3–4 b 3 ) under creep and stress relaxation conditions, indicative of its superior plastic flow properties. Density functional theory (DFT) calculations further revealed an uneven charge density and larger bonding-length variation in NiCoCr due to the presence of Cr, which increased lattice distortion, impeding dislocation movement. Furthermore, in this study, post-deformation microscopy using transmission electron microscopy (TEM) revealed a high density of stacking faults and twins in NiCoCr that effectively enhanced its creep strength. The results highlight the significance of specific elemental effects, particularly from Cr in this study, over configurational entropy effect (i.e., compositional complexity) in governing the deformation microstructure and mechanical properties of HEAs. Finally, these insights will be instrumental for the design and optimization of advanced alloys for load-bearing applications.

36 - MATERIALS SCIENCE↗
DOE OSTI2023

Accurate prediction of short-range order and its effect on thermodynamic, structural, and electronic properties of disordered alloys: exemplified in archetypical Cu 3 Au

Electronic-structure methods based on density-functional theory (DFT) were used to quantify the effect of chemical short-range order (SRO) on thermodynamic, structural, and electronic properties of archetypal face-centered-cubic (fcc) Cu3Au alloy. We showed that SRO can be tuned to alter bonding and lattice dynamics (i.e., phonons) and detail how these properties are changed with SRO. Thermodynamically favorable SRO significantly improved the phase stability of fcc Cu3Au from -0.0343 eV-atom -1 to –0.0682 eV-atom -1 . We used our DFT-based linear-response theory to predict SRO and its electronic origin, and accurately estimate the observed transition temperature, ordering instability (L1 2 ), and Warren-Cowley SRO parameters, in agreement with experiments. The accurate prediction of real-space SRO gives an edge over computationally and resource intensive approaches such as monte-carlo methods or experiments, which will enable large scale molecular dynamic simulations by providing supercells with optimized SRO. Here we also analyzed phonon dispersion and estimated the vibrational entropy change (from 9kB at 300 K to 6kB at 100 K) in fcc Cu3Au. We established from SRO analysis that exclusion of chemical interactions may lead to a skewed view of true properties in chemically complex alloys. The first-principles methods described in this work are generally applicable to any arbitrary solid-solution alloys, including multi-principal-element alloys, therefore, holds promise for designing technologically useful materials.

36 MATERIALS SCIENCE↗
DOE OSTI2021

A preliminary investigation into the electrodeposition and synthesis of radiopure Copper–Chromium alloys for rare-event physics detector systems

Current investigations into neutrinoless double beta decay and the direct detection of dark matter require increasingly sensitive detector systems that demand ultra-low background materials. These requirements have previously been attained using ultra-radiopure electroformed (EF) copper. However, pure copper possesses high ductility and relatively low strength, which necessitates the need for large amounts of material and extra care during fabrication to help minimize galling and mechanical failure. Furthermore, we investigate an alloying alternative to pure EF copper by examining low wt% copper chrome (Cu–Cr) solid solution alloys, with inquiries into alloy hardness, strength, and radiopurity. Alloyed Cu–Cr layered samples are shown to exhibit significantly increased hardness compared to EF copper, for example showing a 50% increase in exhibited hardness using less than 1% Cr by weight, with limited negative impact to the material’s radiopurity.

Background↗