Non-linear temperature dependences of pseudoelastic stress and stress hysteresis of a nanocrystalline Ni47Ti50Fe3 alloy
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Materials Science↗
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Accelerating Manufacturing of Powder-Processed Strong, Lightweight and Thermally Stable Bulk Nanocrystalline Al Alloys via Engineered Interface States
The overarching goal of this program is to develop an integrated materials by design framework enabling a simple, scalable, and efficient manufacturing route for thermally stable nanocrystalline Al-based alloys with high specific strength over a range of service temperatures. The central scientific principle underpinning this program is the elucidation, and ultimately implementation in novel alloy design, of unique interfacial structures and chemistries driven by segregation in multi-component systems that give rise to unprecedented processability and properties. This program targeted nanocrystalline Al-based ternary alloys produced by mechanical alloying of powders followed by compaction and sintering with hot pressing, which are inherently scalable and inexpensive manufacturing routes, but when applied to nanocrystalline alloys are usually plagued by low density and/or poor retention of the intended nanostructures during processing. This program successfully demonstrated manufacturing of a bulk (>1 cm 3 ) nanocrystalline Al-based alloy with a combination of thermal stability, high temperature strength retention, and specific strength that exceeds the current-state-of-the-art of Al alloys. It is anticipated that the greatest technological impact will occur by demonstration of rapid and scalable manufacturing of bulk nanocrystalline Al alloys with exceptional thermal stability and mechanical performance, thus enabling increased energy efficiency in high performance power generation systems via: (i) replacement of existing components with lightweight Al-based alloys and (ii) increasing operating temperatures with property retention. The program focused on the development of a simple and efficient manufacturing route for thermally stable nanocrystalline Al-based alloys with high specific strength over a range of service temperatures. The program is expected to have direct impact on scalable and economic manufacturing of bulk nanocrystalline alloys. This program profited from the recent discovery by the project team of segregation-driven amorphous intergranular films in nanocrystalline metallic alloys that can be kinetically frozen-in at sub-solidus temperatures. These interfacial states (also known as amorphous complexions) comprise a large fraction of the total material in nanocrystalline alloys and are responsible for two beneficial characteristics that anchor the proposed work: (1) activated sintering leading to high density and (2) retained nanostructures leading to high strengths that approach a substantial fraction of the theoretical limit. More specifically, these engineered interfaces led to a three-fold benefit: (i) high-throughput materials processing with low energy budget and cost, (ii) exceptional thermal stability, and (iii) high specific strength at both room temperature and intermediate temperatures experienced during service.
32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
The effect of neutron irradiation on conventional and nanocrystalline nickel: NSUF Work Package UA-22PN080501 Milestone M3UA-22PN0805012 (Final Report)
Even though nanocrystalline materials (20-100 nm) present an unprecedented potential, scientific knowledge related to the effect of neutron irradiation on the mechanical properties and microstructure is still scarce. Most of the past studies were conducted using ion irradiation which may not have the same effect as neutron irradiation because of the smaller irradiation volume and the higher dose rate. To reach a firm conclusion on the potential of nanocrystalline materials for nuclear reactor applications, extensive study of model metals with different stacking fault energy (SFE) is required to elucidate their behavior in radiation environments. Nanocrystalline copper and nickel are typically chosen because they are commonly used as model FCC metals in studies of radiation effects. Nickel is an FCC metal with a high stacking-fault energy (~125 mJ/m 2 ) compared to copper (~45 mJ/m 2 ). Hence, microcrystalline and nanocrystalline nickel samples were irradiated in the INL’s Advanced Test Reactor (ATR), as a part of FY08 North Carolina State University NSUF Irradiation Experiment# 96 to evaluate the irradiation behavior of these materials. The objective of this FY20 NSUF project# 19122 is to perform PIE (at PNNL NSUF facility) on previously ATR-neutron irradiated (1.2 and 2.6 dpa; 80-89°C) nanocrystalline and microcrystalline nickel samples to investigate the changes in mechanical properties and microstructures and evaluate whether nanocrystalline nickel is relatively more radiation resistant compared to conventional microcrystalline nickel. To perform PIE at PNNL, sixteen neutron irradiated specimens (microcrystalline and nanocrystalline) were transferred from the NSUF Nuclear Fuels and Materials Library at INL. Experimental techniques such as SEM/EBSD, XRD, TEM, Vickers microhardness and tensile testing were employed to characterize the effect of neutron irradiation on the microstructure and mechanical properties of nanocrystalline nickel and compared them with corresponding characteristics of microcrystalline nickel.
36 MATERIALS SCIENCE↗
High-temperature active oxidation of nanocrystalline silicon-carbide: A reactive force-field molecular dynamics study
Flexible woven SiC ceramics are prone to accelerated fiber embrittlement under high temperature oxidation in dynamic oxygen environments. The nanocrystalline structure of the constituent fibers impacts the reaction kinetics and phase transformations during active oxidation. However, fundamental understanding and quantification of grain boundary effects on oxidation behavior in nanocrystalline SiC remain elusive when temperatures exceed 1500 K. This study deploys large-scale molecular dynamics simulations with a reactive force-field to elucidate the complex roles of atomic oxygen reservoir conditions and grain size on oxidation kinetics and the nature of oxides produced in both monocrystalline and nanocrystalline 3C-SiC between 1100 K and 2000 K. The simulations with dynamically replenished oxygen provide good agreement with oxidation kinetics and activation energies for the monocrystalline Si(100) and C(100) orientations published in the available literature. This study reveals that, by contrast, nanocrystalline SiC samples exhibit two distinct oxidation kinetics with a transition point at 1500 K due to surface melting, which is supported by experimental evidence. The introduction of a grain-boundary network produces a two-fold decrease in oxidation activation energies compared to monocrystalline SiC below 1500 K. Above 1500 K, however, the activation energies rise substantially due to the formation of a liquid Si phase at the SiC/Si oxide interface. Further, it is shown that the stability of the interfacial liquid phase is promoted by incoherent grain boundaries in the crystalline SiC. These findings are important for the deployment of nanocrystalline SiC fibers in advanced thermal protection systems for high-temperature applications.
36 MATERIALS SCIENCE↗
Use of friction stir processing to synthesize nanocrystalline, grain boundary segregating Fe-Ti alloys
Grain boundary segregating alloys, a class of alloys designed such that nanocrystalline grain sizes are thermodynamically stabilized by the presence of high segregation energy solutes at the grain boundaries, are typically produced through geometrically limited processing techniques such as equal channel angular extrusion or thin film sputtering. Here, this study explores the use of friction stir processing (FSP) as a novel means of studying and producing these alloys using a test system of Fe-6at%Ti. Spot FSPs with a range of processing parameter sets were produced on bulk, coarse grained bars of material and optimal parameters were identified. Microscopy identified a range of processed materials which achieved nanocrystalline grains on the order of 100 nm, delineating a critical window of processing parameters which limit heat input while inducing sufficient plastic deformation for grain refinement. The finest grained nanocrystalline Fe-Ti achieved a hardness of 7.68 GPa, a significant increase in hardness over pure Fe with a similar microstructure due to increased dislocation density from FSP as well as several strengthening mechanisms produced through the presence and segregation of Ti. These results demonstrated the feasibility of using FSP to produce nanocrystalline grain boundary segregating alloys.
Fe alloys↗
Role of geometric dynamic recrystallization in nanocrystalline alloys
Nanocrystalline and near-nano-grained metals are plagued with an overall lack of ductility and formability. This is in part due to their inability to support the dislocation mechanisms or undergo the same types of transformations that conventional coarse-grained metals access in order to increase their workability. Therefore, despite their advanced properties such as high strength, the manufacturing of such fine-grained metals, which exposes them to multi-axial states of stress in operations such as rolling, drawing, extrusion, forging, and bending, has not been possible. In this work, we address this limitation and highlight an important aspect of geometric dynamic recrystallization (GDRX) in nanocrystalline materials as a way to improve manufacturability. In particular, using two different alloy compositions and two different processing techniques, this study points to the fact that if nanocrystalline or near nano metals can be truly stabilized, they can repeatedly undergo the same types of processes that conventional coarse-grained metals endure, increasing both their formability and hence manufacturability. The results reveal that due to a large number of initial high-angle grain boundaries and large applied compressive strains, GDRX is activated in the absence of any discontinuous dynamic recrystallization (DDRX) or continuous dynamic recrystallization (CDRX). This is a unique aspect of stabilized nanocrystalline materials, as traditionally fine-grained metals are not microstructurally stable enough to accommodate such an event.
36 MATERIALS SCIENCE↗
Metal forming and working of stabilized nanocrystalline Cu-Ta for electrical contacts
The commercialization of nanocrystalline metals and alloys is currently entering a renaissance period. Many of the processing and consolidation challenges that have haunted them are now more fully understood, opening the doors for stabilized nanocrystalline metals to be produced on a bulk scale. While challenges remain, the increased volume at which these materials are being supplied is for the first time allowing for investigations into more traditional methods of metal working, such as extruding, rolling, forming, and forging. Recently, the manufacturing science has been developed to allow nanocrystalline Cu-Ta alloys to progress to this point. This article therefore builds upon the last decade of evolutionary progression within the family of stabilized nanocrystalline Cu-Ta alloys by presenting some of the first findings related to scaled powder synthesis, production of billets, thin sheets, and foils. Here, the mechanical performance and physical properties relevant to forming electrical contacts and pins including, tensile, J-integral fracture toughness, Charpy Impact, bi-axial tension, and conductivity are reported. This introductory investigation into forming such a novel material, provides evidence to these alloys potential at bridging the gap between being a scientific curiosity to that of a real engineering material.
36 MATERIALS SCIENCE↗
Micromechanics Modeling of Fracture in Nanocrystalline Metals
Nanocrystalline metals have very high theoretical strength, but suffer from a lack of ductility and toughness. Therefore, it is critical to understand the mechanisms of deformation and fracture of these materials before their full potential can be achieved. Because classical fracture mechanics is based on the comparison of computed fracture parameters, such as stress intlmsity factors, to their empirically determined critical values, it does not adequately describe the fundamental physics of fracture required to predict the behavior of nanocrystalline metals. Thus, micromechanics-based techniques must be considered to quanti@ the physical processes of deformation and fracture within nanocrystalline metals. This paper discusses hndamental physicsbased modeling strategies that may be useful for the prediction Iof deformation, crack formation and crack growth within nanocrystalline metals.
Glaessgen, E. H.↗
The radiation instability of thermally stable nanocrystalline platinum gold
Here, recent experimentally validated alloy design theories have demonstrated nanocrystalline binary alloys that are stable against thermally induced grain growth. An open question is whether such thermal stability also translates to stability under irradiation. In this study, we investigate the response to heavy ion irradiation of a nanocrystalline platinum gold alloy that is known to be thermally stable from previous studies. Heavy ion irradiation was conducted at both room temperature and elevated temperatures on films of nanocrystalline platinum and platinum gold. Using scanning/transmission electron microscopy equipped with energy-dispersive spectroscopy and automated crystallographic orientation mapping, we observe substantial grain growth in the irradiated area compared to the controlled area beyond the range of heavy ions, as well as compositional redistribution under these conditions, and discuss mechanisms underpinning this instability. These findings highlight that grain boundary stability against one external stimulus, such as heat, does not always translate into grain boundary stability under other stimuli, such as displacement damage.
36 MATERIALS SCIENCE↗
Bulk nanocrystalline Al–Mg–Y alloys with amorphous grain boundary complexions display high strength and compressive plasticity
Although nanocrystalline alloys regularly exhibit high strengths, their use in structural applications often face challenges due to sample size limitations, unstable microstructures, and the limited ability to plastically deform. The incorporation of amorphous grain boundary complexions has been proposed to address these issues, by simultaneously stabilizing nanocrystalline grain structures for scale-up processing and improving alloy toughness. In the present study, the mechanical behavior of bulk nanocrystalline Al–Mg–Y is examined with macroscale compression testing, probing a length scale that is relevant to real-world structural applications. Bulk samples were fabricated via a simple powder metallurgy approach, with different hot-pressing temperatures and durations employed for consolidation in order to investigate microstructural and property evolution. All of the specimens contained primary face-centered cubic Al and secondary Al 4 C 3 and Al 3 Y phases, with the Al 3 Y particles exhibiting two populations of small equiaxed and larger elongated particles. Appreciable plasticity was measured along with high ultimate stresses over 800 MPa due to the presence of amorphous grain boundary complexions. Microstructural characterization of fracture surfaces revealed that the area fraction of dimpled regions increased with longer hot-pressing time. Most importantly, the elongated Al 3 Y particles formed regular cellular patterns with increasing hot-pressing time, delaying shear localization and significantly enhancing plasticity. The hierarchy present in the microstructure of the Al–Mg–Y alloy, from amorphous grain boundary complexions to secondary phases, gives rise to excellent bulk mechanical properties, which are attractive for structural applications.
Bulk nanocrystalline alloy↗
Thermal and Radiation Stability in Nanocrystalline Cu
Nanocrystalline metals have presented intriguing possibilities for use in radiation environments due to their high grain boundary volume, serving as enhanced irradiation-induced defect sinks. Their promise has been lessened due to the propensity for nanocrystalline metals to suffer deleterious grain growth from combinations of irradiation and/or elevated homologous temperature. While approaches for stabilizing such materials against grain growth are the subject of current research, there is still a lack of central knowledge on the irradiation–grain boundary interactions in pure metals despite many studies on the same. Due to the breadth of available reports, we have critically reviewed studies on irradiation and thermal stability in pure, nanocrystalline copper (Cu) as a model FCC material, and on a few dilute Cu-based alloys. Our study has shown that, viewed collectively, there are large differences in interpretation of irradiation–grain boundary interactions, primarily due to a wide range of irradiation environments and variability in materials processing. We discuss the sources of these differences and analyses herein. Then, with the goal of gaining a more overarching mechanistic understanding of grain size stability in pure materials under irradiation, we provide several key recommendations for making meaningful evaluations across materials with different processing and under variable irradiation conditions.
36 MATERIALS SCIENCE↗
An energetic link between order and strength in metals: A nanocrystalline strength limit in high-entropy alloys and intermetallic compounds
The metallurgy and materials communities have long understood and exploited fundamental links between chemical and structural ordering in metallic solids to tailor their mechanical properties. We extend these ideas to include prediction of the nanocrystalline strength limit in high-entropy alloys and intermetallic compounds, where a breakdown occurs in the classical Hall-Petch strengthening behavior. The highest reported strength achievable through alloying has rapidly climbed and given rise to new classifications of materials with extraordinary properties, with a notable case being nanocrystalline metals. High-entropy alloys (chemically disordered, concentrated solid solutions) and intermetallic compounds are two boundary cases of how tailored order can be used to manipulate mechanical behavior. Here, we show that the complex electronic-structure mechanisms governing the peak strength of alloys and pure metals can be reduced to a few physically meaningful parameters based on their atomic arrangements and used – with no fitting parameters – to predict the maximum strength of these materials. This includes a generalized energy-based accounting for the degree of structural and chemical ordering that allows for rapid and reasonably accurate prediction of peak strength (validated in the nanocrystalline limit) as a function of temperature. Predictions of maximum strength based on the activation energy (with all materials properties derived from DFT calculations or experiments) for a stress-driven transition to an amorphous state is shown to accurately describe the breakdown in Hall-Petch behavior at the smallest crystallite sizes for pure metals, intermetallic compounds, high-entropy alloys, and metallic glasses. Further, this activation energy is also shown to be directly proportional to interstitial electronic charge density, which is a good predictor of ductility, stiffness (moduli), and phase stability in high-entropy alloys and solid metals generally. The proposed framework suggests the possibility of coupling ordering and intrinsic strength to mechanisms like dislocation nucleation, hydrogen embrittlement, and transport properties, such as through correlations between the activation energies for amorphization with stacking-fault and grain boundary energies. It additionally opens the prospect for greatly accelerated structural materials design and development to address materials challenges limiting more sustainable and efficient use of energy.
36 MATERIALS SCIENCE↗
Analysis of Short and Long Range Atomic Order in Nanocrystalline Diamonds with Application of Powder Diffractometry
Fundamental limitations, with respect to nanocrystalline materials, of the traditional elaboration of powder diffraction data like the Rietveld method are discussed. A tentative method of the analysis of powder diffraction patterns of nanocrystals is introduced which is based on the examination of the variation of lattice parameters calculated from individual Bragg lines (named the "apparent lattice parameter", alp). We examine the application of our methodology using theoretical diffraction patterns computed for models of nanocrystals with a perfect crystal lattice and for grains with a two-phase, core-shell structure. We use the method for the analysis of X-ray and neutron experimental diffraction data of nanocrystalline diamond powders of 4, 6 and 12 nm in diameter. The effects of an internal pressure and strain at the grain surface is discussed. This is based on the dependence of the alp values oil the diffraction vector Q and on the PDF analysis. It is shown, that the experimental results support well the concept of the two-phase structure of nanocrystalline diamond.
Palosz, B.↗
Superhard Nanocrystalline Homometallic Stainless Steel on Steel for Seamless Coatings
The objective of this work is to deposit nanocrystalline stainless steel onto steel substrates (homometallic) for enhanced wear and corrosion resistance. Homometallic coatings provide superior adhesion, and it has been shown that ultrafine-grained materials exhibit the increased hardness and decreased permeability desired for protective coatings. Nanocrystals will be produced by controlling nucleation and growth and use of an ion beam during deposition by e-beam evaporation or sputtering. Phase I is depositing 31 6L nanocrystalline stainless steel onto 31 6L stainless steel substrates. These coatings exhibit hardnesses comparable to those normally obtained for ceramic coatings such ZrO2, and possess the superior adhesion of seamless, homometallic coatings. Hardening the surface with a similar material also enhances adhesion, by avoiding problems associated with thermal and lattice mismatch. So far we have deposited nanocrystalline homometallic 316L stainless steel coatings by varying the ions and the current density of the ion beams. For all deposition conditions we have produced smooth, uniform, superhard coatings. All coatings exhibit hardness of at least 200% harder than that of bulk materials. Our measurements indicate that there is a direct relationship between nanohardness and the current density of the ion beam. Stress measurements indicate that stress in the films is increasingly proportional to current density of the ion beam. TEM, XPS, and XRD results indicate that the coated layers consist of FCC structure nanocrystallites with a dimension of about 10 to 20 nm. The Ni and Mo concentration of these coating are lower than those of bulk 316L but the concentration of Cr is higher.
Tobin, Eric J.↗
Diffraction Studies of the Atomic Vibrations of Bulk and Surface Atoms in the Reciprocal and Real Spaces of Nanocrystalline SiC
To describe and evaluate the vibrational properties of nanoparticles it is necessary to distinguish between the surface and the core of the particles. Theoretical calculations show that vibrational density of states of the inner atoms of nanograins is similar to bulk material but shifted to higher energies which can be explained by the fact that the gain core is stressed (hardened) due to the presence of internal pressure. Theoretical calculations also show that there is a difference between vibrational properties of a crystal lattice of the grain interior in isolated particles and in a dense (sintered) nanocrystalline material. This is probably due to a coupling of the modes inside the grains via the grain boundaries in dense nanocrystalline bodies. We examined strains present in the surface shell based on examination of diamond and Sic nanocrystals in reciprocal (Bragg-type scattering) and real (PDF analysis) space analysis of neutron diffraction data. Recently we examined the atomic thermal motions in nanocrystalline Sic based on the assumption of a simple Einstein model for uncorrelated atomic notions. According to this model, the Bragg intensity is attenuated as a function of scattering angle by the Debye-Waller factor. Based on this assumption overall temperature factors were determined from the Wilson plots.
Stelmakh, S.↗
Structural and magnetic properties of magnetostrictive Fe-Ga-Zr nanocrystalline alloy
(Fe 1–x Ga x ) 92 Zr 8 amorphous and nanocrystalline alloys with x = 0.15 to x = 0.36 were investigated to improve the magnetic softness of Galfenol-type alloys and to evaluate their magnetostrictive properties. The samples were prepared by melt spinning of arc melted ingots. The rapidly solidified ribbons were annealed at 823 K for 1 h to produce a nanocrystalline structure. X-ray Diffraction data showed that after annealing, body-centered cubic (BCC) Fe-Ga phase crystallized for x = 0.15 to x = 0.26. When x exceeded 0.26, the ribbons crystallized into BCC and a ternary intermetallic phase (i.e., ZrFe 6 Ga 6 ) which has deteriorating effect on saturation magnetization, magnetic softness and magnetostriction coefficient. The annealed ribbons’ saturation magnetization value decreases from 126 Am 2 /kg to 54 Am 2 /kg as the Ga content increased from x = 0.15 to x = 0.36. The alloy with x = 0.26 annealed at 823 K for 1 h shows a peak magnetostriction of 10 ppm with saturation magnetization of 110 Am 2 /kg and coercivity of 260 A/m.
36 MATERIALS SCIENCE↗
Scattering of phonons by edge dislocation and thermal conductivity of nanocrystalline silicon
For this work, the temperature dependent thermal conductivity of nanocrystalline silicon with the grain size of 500 nm, 144 nm, and 76 nm, was calculated based on the intrinsic phonon properties using a first-principles-based method and recent analytical theory of phonon-dislocation scattering. The results demonstrate, in the nanocrystalline silicon, that the low temperature (T) limit of thermal conductivity is directly proportional to T 2 instead of the conventional Casimir limit of T 3 . Calculated frequency-dependent scattering rates also indicate regimes of dominant scattering mechanisms: frequency-independent boundary scattering dominates in the very low phonon frequency regime of less than 0.6 THz; frequency-dependent boundary scattering dominates in the intermediate phonon frequency regime between 0.6 and 6 THz; and Umklapp scattering dominates in the high phonon frequency regime beyond 6 THz. The thermal conductivity is linear proportional to nanograin size in the region of d < 100nm and it shows independence at d > 1μm. This work proves the importance of dislocation-phonon scattering to thermal conductivity when the size of nanograins is small or at low temperature.
36 MATERIALS SCIENCE↗
High-throughput multimodal exploration of a nanocrystalline Cu-Ag library
Sputter-deposited, nanocrystalline Cu-Ag thin films produced across a broad compositional and deposition-parameter space were evaluated to unravel the process-structure-property relationships important for creating hard, conductive electrical contacts and coatings. Combinatorial deposition involving pulsed direct current magnetron sputtering of elemental targets enabled swift examination of nearly the full range of alloy compositions and a relevant portion of deposition atomistics. Several high-throughput characterization modalities were employed to evaluate the chemistry, structure, and properties of the films. The resultant hardness, modulus, film density, crystal texture, and resistivity were analyzed in terms of key deposition characteristics (incident atom kinetic energy and incidence angle) predicted by binary-collision, kinematic Monte Carlo simulations. The study revealed improved hardness, parabolic resistivity dependence on composition, and compositional and process dependencies of film tarnishing. The results are discussed in the context of variations in microstructure and film density. Transmission electron microscopy and X-ray diffraction demonstrate several forms of compositional variation including solute segregation to grain boundaries as well as periodic, intragranular compositional modulations. Annealing of a Cu-rich alloy film exhibiting grain boundary segregation showed that this as-deposited, compositional variation is not stable above 100 °C. Finally, the Cu-Ag system is shown to have potential for hard, conductive, tarnish-resistant and room temperature-stable nanocrystalline thin films across the composition space.
36 MATERIALS SCIENCE↗