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Deformation-induced grain-growth in nanocrystalline materials is a widely-reported phenomenon that has been attributed to grain boundary (GB) processes. In this paper, we report on the opposite phenomenon, wherein a stable nanocrystalline (NC) Cu-Ta alloy undergoes a further refinement of the nano-grains during severe plastic deformation (SPD). SPD up to 250% results in a significant grain-size reduction despite the 350°C increase in temperature caused by the deformation process. Experiments and atomistic-simulations show that this unexpected grain-refinement is a direct result of well-dispersed Ta-nanoclusters throughout grain centers and along GBs acting as kinetic-pinning agents and suppressing GB processes that occur during recrystallization.

Non-metallic contamination is a practically unavoidable byproduct of commercial synthesis processes; however, non-metallic impurities are often overlooked when considering material design and performance of nanostructured materials. Importantly, there is disputing evidence as to whether non-metallic contamination stabilize or destabilize nanocrystalline materials against grain growth. Furthermore, it is unclear if non-metallic contamination has a significant impact on hardness of nanocrystalline systems. In this work, two nanocrystalline Ni-28at%W alloys with different impurity concentrations were produced via mechanical alloying to directly evaluate the effect of contamination on thermal stability and hardness of nanostructured materials. The alloys were isothermally annealed at several temperatures, and the microstructures were compared by applying atom probe tomography and aberration-corrected scanning transmission electron microscopy. It was determined that impurity concentrations can be substantially reduced by using specific milling media and pre-milling reduction processes. Furthermore, the clean and contaminated alloys exhibited similar thermal stabilities against grain growth, but the clean alloy displayed a 100% improvement in hardness despite a similar grain size and distribution of second phases. Impurity phases including CrOx, Ni6W6C, and trapped Ar pores were also identified and likely contributed to the thermal stability and mechanical properties observed in this study. Overall, this work suggests that impurities my not always be detrimental to thermomechanical behavior of nanocrystalline systems.

Nanocrystalline Cu-Ta is among the most successfully developed nanostructured alloys involving microstructural design, synthesis, characterization, and testing. However, the interplay of direct and indirect thermal stability mechanisms is still unclear. In this work, mechanically alloyed Cu-10at.%Ta was characterized with atomic-resolution electron microscopy to identify thermal stability mechanisms. A new mechanism involving athermal core-shell particles that were coarsening resistant was discovered after annealing between 100–800 °C up to 1000 h. Evidence suggests that oxide amorphous shells decreased the phase boundary energy thereby reducing the thermodynamic driving force for particle growth and indirectly maximizing thermal stability of Cu(Ta) grains.

Thermomechanical behavior of an ultrafine-grained nickel-yttrium alloy has been investigated through quasi-static (10−4 s−1) and high temperature creep experiments under uniaxial compression along with post-deformed transmission electron microscopy (TEM) characterization. While the alloy possesses a quasi-static flow stress of ~1255 MPa at room temperature, the flow stress drops by about 80% at 873 K. TEM analysis showed negligible average grain growth over the entire temperature range tested. Furthermore, the alloy showed exceptional steady–state creep behavior owing to the relative stability of the grain size and interactions between dislocations/grain boundary and inclusions/dispersoids.

Nanocrystalline (NC) materials possess excellent room temperature properties, such as high strength, wear resistance, and toughness as compared to their coarse-grained counterparts. However, due to the excess free energy, NC microstructures are unstable at higher temperatures. Significant grain growth is observed already at moderately low temperatures, limiting the broader applicability of NC materials. Here, we present a design approach that leads to a significant improvement in the high temperature tensile creep resistance (up to 0.64 of the melting temperature) of a NC Cu-Ta alloy. The design approach involves alloying of pure elements to create a distribution of nanometer sized solute clusters within the grains and along the grain boundaries. We demonstrate that the addition of Ta nanoclusters inhibits the migration of grain boundaries at high temperatures and reduces the dislocation motion. This leads to a highly unusual tensile creep behavior, including the absence of any appreciable steady-state creep deformation normally observed in almost all materials. This design strategy can be readily scaled-up for bulk manufacturing of creep-resistant NC parts and transferred to other multicomponent systems such as Ni-based alloys.

Nanocrystalline materials are known to possess excellent radiation resistance due to high fraction of grain boundaries that act as defect sinks, provided they are microstructurally stable at such extreme conditions. In this work, radiation response of a stable nanocrystalline Cu-Ta alloy is studied by irradiating with 4 MeV copper ions to doses (close to the surface) of 1 displacements per atom (dpa) at room temperature (RT); 10 dpa at RT, 573 and 723 K; 100 and 200 dpa at RT and 573 K. Nanoindentation results carried out for samples irradiated till 100 dpa at RT and 573 K show exceptionally low radiation hardening behavior compared to various candidate materials from literature. Results from microstructural characterization, using atom probe analysis and transmission electron microscopy, show a stable nanocrystalline microstructure with minimal grain growth and a meagre swelling in samples irradiated to 100 dpa (~0.2%) and 200 dpa at RT, while no voids in those at 573 K. This radiation tolerance is partly attributed to the stability of Ta nanoclusters due to phase separating nature of the alloy. Additionally, the larger tantalum particles are observed to undergo ballistic dissolution at doses greater than 100 dpa and are eventually precipitated as nanoclusters, replenishing the sink strength, which enhanced material's radiation tolerance when exposed to high irradiation doses and elevated temperatures.

The potential benefits of nanocrystalline (NC) alloys for use in various structural applications stem from their enhanced mechanical strengths. However, deformation-induced grain growth in NC materials reduces the strength and is a widely reported phenomenon occurring even at low-temperatures. Controlling such behavior is critical for the maturation of bulk nanocrystalline metals in various advanced engineering applications. Here, we disclose the mechanism by which grain boundary sliding and rotation are suppressed when a NC material is truly thermo-mechanically stabilized against grain growth. Unlike in any other known nanocrystalline metals, the absence of sliding and rotation during loading, at extreme temperatures, is related to short-circuit solute diffusion along the grain boundaries causing the formation of solute clusters and thus a significant change of the grain boundary structures. The departure of this unusual behavior from the well-established norm leads to a strong enhancement of many mutually exclusive properties, such as thermo-mechanical strength, creep resistance, and exceptionally high electrical/thermal conductivity. This work demonstrates that Cu-based nanocrystalline alloys can be used in applications where conventional Cu-based polycrystalline materials are not viable.

A ternary immiscible nanostructured Cu-Al-Nb alloy was fabricated by friction stir processing of mechanically compacted pellets. Subsequently, aging was carried out at 563 K for various times. The material exhibited hardness of ~4.3 ± 0.1 GPa in the peak-aged condition (aging for 6 h), which is remarkable among Cu-based ternary immiscible alloys. The excellent strength of the material is attributed to Hall-Petch strengthening due to the extremely refined nanocrystalline structure, coupled with precipitation strengthening due to a uniform distribution of nano-scale Al- and Nb-rich precipitates or clusters, as confirmed by X-ray diffraction and microstructural characterization.

Isoconcentration surfaces are commonly used to delineate phases in atom probe datasets. These surfaces then provide the spatial and compositional reference for proximity histograms, the number density of particles, and the volume fraction of particles within a multiphase system. This paper discusses the influence of the isoconcentration surface selection value on these quantitative outputs, using a simple oxide dispersive strengthened alloy, Fe91Ni8Zr1, as the case system. Zirconium reacted with intrinsic oxygen impurities in a consolidated ball-milled powder to precipitate nanoscale zirconia particles. The zirconia particles were identified by varying the Zr-isoconcentration values as well as by the maximum separation data mining method. The associated outputs mentioned above are elaborated upon in reference to the variation in this Zr isosurface value. Considering the dataset as a whole, a 10.5 at.% Zr isosurface provided a compositional inflection point for Zr between the particles and matrix on the proximity histogram; however, this value was unable to delineate all of the secondary oxide particles identified using the maximum separation method. Consequently, variations in the number density and volume fraction were observed as the Zr isovalue was changed to capture these particles resulting in a loss of the compositional accuracy. This highlighted the need for particle-by-particle analysis.

Here, the Cottrell–Stokes ratio in a microstructurally-stable Cu-3Ta (at.%) nanocrystalline alloy is examined from the standpoint of changes in deformation mechanisms. Toward this, uniaxial compression experiments were performed in the temperature range of 113 K – 273 K. The Cottrell-Stokes ratio at the lowest temperature tested was ~1.3, and the material exhibited a very low strain-rate sensitivity at cryogenic-temperatures. Transmission electron microscopy (TEM) characterization showed negligible average grain size coarsening and a transition in the deformation mechanism toward athermal activation processes such as twinning with the reduction in the testing temperature.

Cemented tungsten carbide materials are traditionally bonded using a cobalt matrix, resulting in a material that possesses a unique combination of exceptional properties. However, cobalt has been recently classified as “reasonably anticipated to be a human carcinogen,” and thus, removal of this hazardous phase is desired for many applications. This research focuses on the production of tungsten carbide bodies cemented with a non-hazardous iron-based alloy binder phase. This binder has roots in the previous transition metal binders and additives for tungsten carbide and is based on the principles of high-entropy alloys; however, it relies on a novel means of carbide formation and dispersion from prior investigations. Sintering studies were conducted through uniaxial hot pressing, field-assisted sintering techniques, and pressureless sintering techniques. While some of the results of hot pressing and field-assisted sintering technique were positive, the resultant mesostructure exhibited an undesired, graded, heterogeneous form. Pressureless sintering, on the other hand, was capable of producing a homogeneous microstructure with high theoretical density along with promising hardness and indentation toughness values.

Long periodic stacking ordered (LPSO) phases have been reported to enhance the strength and ductility of Mg alloys due to their high elastic properties. In the present work, the effects of atomic arrangements in terms of Gd-Al L12-type clusters on LPSOs' elastic properties in the Mg-Gd-Al system were studied using first-principles calculations. Four types of LPSO phases (10H, 18R, 14H, and 24R) were investigated with and without an interstitial atom in the center of the L12-type clusters. It was observed that the elastic stiffness components of the LPSO phases such as C11, C33 and C66 are closely related to the bonding distances of L12 cluster. Furthermore, the interstitial atom within the L12 cluster plays an important role in affecting the elastic stiffness constants of LPSOs, resulting in an increase of C11 and C33 due to the bonding distances of L12 cluster.

Fundamentally, material flow stress increases exponentially at deformation rates exceeding, typically, ~103 s−1, resulting in brittle failure. The origin of such behavior derives from the dislocation motion causing non-Arrhenius deformation at higher strain rates due to drag forces from phonon interactions. Here, we discover that this assumption is prevented from manifesting when microstructural length is stabilized at an extremely fine size (nanoscale regime). This divergent strain-rate-insensitive behavior is attributed to a unique microstructure that alters the average dislocation velocity, and distance traveled, preventing/delaying dislocation interaction with phonons until higher strain rates than observed in known systems; thus enabling constant flow-stress response even at extreme conditions. Previously, these extreme loading conditions were unattainable in nanocrystalline materials due to thermal and mechanical instability of their microstructures; thus, these anomalies have never been observed in any other material. Finally, the unique stability leads to high-temperature strength maintained up to 80% of the melting point (~1356 K)., Metals deformed at very high rates experience a rapid increase in flow stress due to dislocation drag. Here, the authors stabilise a nanocrystalline microstructure to suppress dislocation velocity and limit drag effects, conserving low strain-rate deformation mechanisms up to higher strain rates and temperatures.

Mathematical models in process engineering are becoming an essential part of accelerated materials by design, drastically shortening time to discovery by minimizing the vast experimental matrix. In this paper a combination of thermodynamic and analytical models have been used to develop an algorithm for visually guiding the rapid design of a nontoxic (cobalt free) liquid metal binder for WC based cermets. A method based on rapid screening method of key processing parameters is developed that significantly reduces the design space (here, to 27% of the initial alloy composition space). The parameters included represent heretofore unexamined considerations such as chemistry effects on capillary flow, viscosity, surface tension, and melting point which are less computationally intensive than the traditional thermodynamic modeling used in this problem to date. The results are presented in a series of easy to interpret atlases that enable quick identification of systems of interest for further study. Keywords: Cermet, Capillary, Materials by design

Mechanically alloyed 91Fe-8Ni-1Zr (at%) powders were fabricated through high energy ball milling of elemental powder and subsequently consolidated via equal channel angular extrusion (ECAE) at 800 °C and 1000 °C. The resulting microstructure was fine grain with a nano-dispersion of Zr-oxide within the matrix, which was spherical for the 800 °C. ECAE and plate-like (and volumetrically larger) for the 1000 °C ECAE conditions. Atom probe tomography confirmed trace levels of C, N, and Cr impurities within the alloy making it similar to a low-carbon steel. By performing mechanical testing at a quasi-static strain rate (10−3 s−1) and at high strain rate (103 s−1) at room temperature and 473 K, a load drop was noted after yielding. In general, this load drop became more pronounced with increasing strain rate and temperature and has been shown to be a result of dynamic strain aging in the ODS alloy.

The mechanical properties of the weld regions of a 6061-T6 resistance spot welded lap joint are determined. The change in mechanical properties resulting from RSW are linked to the changes observed in the microstructure. Processing currents and strain rates are varied to probe the effects of processing temperature at strain rates from 10−3 to 103 s−1. Results show that material strength decreases within the heat affected zone (HAZ) and fusion zone due to precipitate dispersion. Further, decreased ductility results at quasi-static strain rates from accelerated crack growth arising near voids formed during weld formation, but the short time scale at higher strain rates limits the ability for crack growth from these voids allowing the material to exhibit higher ductility. Overall, significant changes in the mechanical behavior across the weld resulting from a change in microstructure congruent with precipitate dispersion are apparent for all processing conditions.

An Al-5 at. pct Cr alloy was produced by high-energy ball milling at liquid nitrogen temperature followed by consolidation using equal-channel axial extrusion at 200 °C, 300 °C and 450 °C. The microstructure and corrosion response were compared with a cast alloy of the same composition. Rather than the intermetallics expected by the phase diagram and seen in the cast alloy, consolidated HEBM alloys exhibited extended solid solubility of Cr in the aluminum matrix in addition to a finely dispersed Cr-rich phase. This led to improvement in the corrosion behavior as investigated via potentiodynamic polarization and constant immersion tests in NaCl solution. Hardness and tensile tests were performed to evaluate the mechanical properties. The highest consolidation temperature (450 °C) contributed to significant grain growth and Cr diffusion, lessening the beneficial effects of processing with HEBM.

Nanocrystalline Cu-Ta alloys are emerging as a new class of structural materials preserving the nano-scale grain size up to the melting point of Cu. This extraordinary structural stability is caused by the strong pinning of grain boundaries (GBs) by Ta nano-clusters precipitating from the unstable solid solution after mechanical alloying. Many aspects of the Ta stabilization effect remain elusive and call for further experimental and simulation work. In previous atomistic computer simulations of stress-driven GB migration [JOM 68, 1596 (2016)], the GB–cluster interactions in Cu-Ta alloys have been studied for several different compositions and GB velocities. The results have pointed to the Zener pinning as the main mechanism responsible for the grain stabilization. This paper extends the previous work to the motion of individual GBs driven by capillary forces whose magnitude is similar to that in real nanocrystalline materials. Both the impingement of a moving GB on a set of Ta clusters and the GB unpinning from the clusters are studied as a function of temperature and alloy composition. The results demonstrate a quantitative agreement with the Zener pinning model and confirm the “unzip” mechanism of unpinning found in the previous work. In the random Cu-Ta solid solution, short-circuit Ta diffusion along stationary and moving GBs leads to the nucleation and growth of new GB clusters, which eventually stop the GB motion.

The crystallographic and electronic structures of (010) APB of L12 Co3Al0.75TM0.25 are studied by high-resolution transmission electron microscopy and first-principles calculations. Effects of solute atoms (TM = Cr, Hf, Mo, Ni, Re, Ru, Ta, Ti, W and Y) on the formation energy, lattice parameters/distortion, magnetism, and bonding strength of the (010) APB in Co3Al0.75TM0.25 are obtained from first-principles calculations. Comparing to the equilibrium volume of Co3Al, it is found that the volume change of the Co3Al0.75TM0.25 with and without the presence of APB increases linearly with the volume of the corresponding FCC elements, indicating the contribution of the solute atoms on lattice distortion of bulk and (010) APB. Particularly, the strong dependence of the APB energy on the composition is comprehensively discussed together with the available experimental and theoretical data in the literature. The negative (010) APB energy indicates that the formation of (010) APB could stabilize the ordered L12 (or the FCC-lattice) Co3Al, and the local L12 → D022 phase transformation can occur. The physical natures of lattice distortions caused by the fault layers of APB and the solute atoms are characterized by bonding charge density. It is found that the solute atoms, occupying Al site of L12 phase and its (010) APB, increase the local bonding strength along (010) through the electron redistribution during forming the chemical bonds with Co, revealing an intrinsic solid-solution strengthening mechanism. This work provides an insight into the atomic and electronic basis for solid-solution strengthening mechanism of L12 Co3Al0.75TM0.25.

The presence of complex states-of-stress and strain-rates directly influence the dominant deformation mechanisms operating in a given material under load. Mg alloys have shown limited ambient temperature formability due to the paucity of active slip-mechanisms, however, studies have focused on quasi-static strain-rates and/or simple loading conditions (primarily uniaxial or biaxial). For the first time, the influence of strain-rate and stress-triaxiality is utilized to unravel the active deformation mechanisms operating along the rolling, transverse- and normal-directions in wrought AZ31-alloy. It is discovered that the activation of various twin-mechanisms in the presence of multiaxial loading is governed by the energetics of the applied strain-rates. IMPACT STATEMENT It is shown for the first time that the higher deformation energy associated with dynamic strain-rates, coupled with high-triaxiality, promotes detwinning and texture evolution in HCP alloys with high c/a ratio.

In this work, various alloy compositions of immiscible copper-tantalum (Cu–Ta) are systematically studied to understand the interplay between cluster stability, precipitation hardening, and the overall stability of the matrix's average grain size. An alloy composition of Cu-3at.%Ta is found to exhibit dramatic improvements relative to other neighboring Ta contents (both higher and lower) only after exposures of more than 300 h at 800 °C. An extremely low steady-state growth rate, i.e., 3.1 nm per 100 h exposure, speaks to the extreme kinetics which allow this composition to retain its high mechanical strength. The key attribute responsible for the NC Cu-3at.%Ta alloy exhibiting such behavior is a high cluster density tailored through the Ta solute content to achieve the best combination of stability without sacrificing strength by limiting Orowan coarsening of the clusters compared to other Ta concentrations. In general, the growth kinetics of this Cu-3at.%Ta alloy are so sluggish that it places it among the most thermally resistant alloys ever produced. The work demonstrates that, if designed properly, bulk nanocrystalline alloys can withstand the prolonged high-temperature exposure required for high-temperature applications, while grain growth is stagnated or halted.

The solute-induced softening and hardening effects in bcc W for twenty-one substitutional alloying elements (Al, Co, Cr, Fe, Hf, Ir, Mn, Mo, Nb, Ni, Os, Pd, Pt, Re, Rh, Ru, Ta, Tc, Ti, V and Zr) are examined to search for a similar softening effect as that observed with Re. The changes in energy barriers of dislocation motion caused by solute-dislocation interactions are directly computed via a first-principles approach with flexible boundary conditions. The effect of solutes on the critical resolved shear stress of the ½ screw dislocation in bcc W at room temperature is quantitatively predicted, as a function of alloy concentration, via a mesoscopic solid-solution model using the first-principles results as input. Al and Mn are proposed to be promising substitutes for Re as these two elements introduce similar softening effects as Re in bcc W. In addition, the trends of the solute-dislocation interactions, and their correlations to the dislocation core structure geometries are discussed.

Stability of nanocrystalline microstructural features allows structural materials to be synthesized and tested in ways that have heretofore been pursued only on a limited basis. Here, we demonstrate using quasi-static compression and three point bend tests that, in a stabilized nanocrystalline metal with tailored solute concentrations, i.e., NC-Cu-3 at.%Ta, extraordinary properties such as ultrahigh hardness along with anomalus modulus of resilience and springback effects can be manifested. Such effects influence a wide range of materials response including elastic energy absorption, damping, fatigue and wear. The present study, therefore, represents a pathway for designing highly resilient materials for everyday applications.

Here, we show the strategies to strengthen Mg alloys through modifying the matrix by planar faults and optimizing the local lattice strain by solute atoms. The anomalous shifts of the local phonon density of state of stacking faults (SFs) and long periodic stacking-ordered structures (LPSOs) toward the high-frequency mode are revealed by HCP-FCC transformation, resulting in the increase of vibrational entropy and the decrease of free energy to stabilize the SFs and LPSOs. Through integrating bonding charge density and electronic density of states, electronic redistributions are applied to reveal the electronic basis for the ‘strengthening’ of Mg alloys. IMPACT STATEMENT Through integrating the bonding charge density, the phonon and electronic density of states, this work provides an atomic and electronic insight into the strengthening mechanism of Mg alloys.

Surface oxidation of metal powders is a common challenge in powder metallurgy processing, and the oxides must eventually be broken up to produce high-quality, structural components. Here it is proposed that surface oxidation may be beneficial in the creation of porous metals through intraparticle expansion, which creates porosity by the reduction of oxides which are distributed within a metallic matrix. Previous work utilized the addition of separate oxides to the metal as a two-component (Cu powder + CuO powder) cryogenic ball milling process. The feasibility of controlling pore formation by directly oxidizing copper powder before milling is examined, and it is then extended to room temperature processing. Both pore distribution and morphology vary greatly with oxygen content, which can be controlled during processing. The pore volume and interconnectedness are maximized at intermediate oxygen concentration, indicating competing effects of the oxide loading. When room temperature high-energy ball milling is applied, the oxidized powder was found to exhibit even greater expansion upon annealing and larger pore size, though cold welding of the copper was encountered at short milling times. Using a single-component method at room temperature may prove valuable to reduce the cost and complexity of large scale production of expandable powder feedstock, and key considerations are discussed.

Grain refinement through surface plastic deformation processes such as surface mechanical attrition treatment has shown measureable benefits for mechanical properties, but the impact on corrosion behavior has been inconsistent. Many factors obfuscate the particular corrosion mechanisms at work, including grain size, but also texture, processing contamination, and surface roughness. Many studies attempting to link corrosion and grain size have not been able to decouple these effects. Here we introduce a preprocessing step to mitigate the surface contamination effects that have been a concern in previous corrosion studies on plastically deformed surfaces; this allows comparison of corrosion behavior across grain sizes while controlling for texture and surface roughness. Potentiodynamic polarization in aqueous NaCl solution suggests that different corrosion mechanisms are responsible for samples prepared with the preprocessing step.

Under intense heating and/or deformation, pure nanocrystalline (NC) metals exhibit significant grain coarsening, thus preventing the study of length scale effects on their physical response under such conditions. Hence, in this study, we use in-situ TEM heating experiments, atomistic modeling along with elevated temperature compression tests on a thermally stabilized nanostructured Cu–10 at.% Ta alloy to assess the microstructural manifestations caused by changes in temperature. Results reveal the thermal stability attained in NC Cu-10 at.% Ta diverges from those observed for conventional coarse-grained metals and other NC metals. Macroscopically, the microstructure, such as Cu grain and Ta based cluster size resists evolving with temperature. However, local structural changes at the interface between the Ta based clusters and the Cu matrix have a profound effect on thermo-mechanical properties. The lattice misfit between the Ta clusters and the matrix tends to decrease at high temperatures, promoting better coherency. In other words, the misfit strain was found to decrease monotonically from 12.9% to 4.0% with increase in temperature, leading to a significant change in flow stress, despite which (strength) remains greater than all known NC metals. Overall, the evolution of such fine structures is critical for developing NC alloys with exceptional thermo-mechanical properties. Keywords: In situ TEM, Nanocrystalline, Atomistic, Misfit strain

Small-scale shear punch testing has been applied to a butt joint created by friction stir welding of two adjoining AA2139-T8 plates. Advantages of this technique include the ability to perform a large number of independent tests on a given volume of material and the ability to measure site-specific differences and variations in local material properties. As such, combined with a simultaneous evaluation of the weld morphology, a series of 144 shear punch tests were carried out in a 12×12 grid pattern on the retreating half of the weld. The overlay of the grid pattern onto the etched surface allowed a correlation of the microstructure and mechanical properties measured across the weld at each shear punch site. Two-dimensional color enhanced property maps were generated to provide a powerful site specific visualization of the unique or distinctive microstructural features and how they correlate with the local mechanical response across the weld. One of the more insightful discoveries was the weld nugget region undergoing 2.5 times more strain-hardening than the base plate material, while simultaneously experiencing the Portevin-LeChatelier effect. Aspects of the technique and results of our experiments are described.

In this work, the effects of Mn on lattice parameter, electron work function (EWF), bonding charge density, and hardness of nanocrystalline Al Mn non-equilibrium solid solutions are investigated. We show how the enhancement of the EWF contributes to the observed improvement of the hardness of Al Mn solid solutions. It is understood that the physical mechanisms responsible in our model, using the EWF coupled with a power law scaled hardness, are attributed to the redistribution of electrons caused by the presence of Mn solute atoms, supporting an atomic and electronic basis for the coupling of solid solution and grain refinement strengthening mechanisms.

The influence of various transition alloying elements (X's) on the elastic properties of W-based alloys has been studied via first-principles calculations on the basis of density functional theory. Here, nineteen transition metal alloying elements (X) are considered: Ti, V, Cr, Fe, Co, Ni, Y, Zr, Nb, Mo, Ru, Rh, Pd, Hf, Ta, Re, Os, Ir, and Pt. It is found that (i) the bulk modulus of the dilute W-X alloy decreases with increasing its equilibrium volume, particularly, for the alloying elements in the same period; (ii) all of the alloying elements decrease the shear modulus of BCC W; and (iii) the largest decrease of elastic properties of W is due to alloying element Y. In addition, it is shown that the changes of elastic properties of W caused by the alloying elements are traceable from the electron charge density distribution, resulting in a bonding distortion between W and the alloying atoms. Using the quasi-static approach based on the Debye model, the elastic properties of these W-X alloys at finite temperatures are predicted. Calculated properties of BCC W and the W-X alloys are in favorable agreement with available experimental measurements.

Immiscible Cu-Ta alloys produced by mechanical alloying are currently the subject of intensive research due to their mechanical strength combined with extraordinary structural stability at high temperatures. Previous experimental and simulation studies suggested that grain boundaries (GBs) in Cu-Ta alloys are stabilized by Ta nano-clusters coherent with the Cu matrix. To better understand the stabilization effect of Ta, we performed atomistic computer simulations of GB–cluster interactions in Cu-Ta alloys with various compositions and GB velocities. The study focuses on a single plane GB driven by an applied shear stress due to the shear-coupling effect. The results of the simulations are in close quantitative agreement with the Zener model of GB pinning. This agreement and the large magnitude of the unpinning stress confirm that the structural stability of these alloys is due to the drastically decreased GB mobility rather than a reduction in GB energy. For comparison, we simulated GB motion in a random solid solution. While the latter also reduces the GB mobility, the effect is not as strong as in the presence of Ta clusters. GB motion in the random solution itself induces precipitation of Ta clusters due to short-circuit diffusion of Ta in GBs, suggesting a possible mechanism of cluster formation inside the grains.

Electrically insulated ferrous powders permit isotropic magnetic flux, lower core losses, and structural freedom for state-of-the-art electromagnetic (EM) core and device designs. Many current coating materials are limited by low melting temperatures, which leads to insufficient insulation of powders, resulting in metal-on-metal contact. Use of a high-temperature coating material, such as alumina, could alleviate these issues. In this work, iron powder was mechanically milled with alumina media, to yield plastically deformed, alumina-coated iron particles with improved magnetic saturation, elastic modulus, and hardness. Various milling times and media ball sizes are investigated to maintain particle size, insulate powders uniformly, and optimize properties after compaction and curing. We found that longer milling times yielded more dense powder coatings and lower magnetic saturation.

A series of bulk nanostructured Fe–Ni–Zr oxide-dispersion-strengthened (ODS) alloys were synthesized using high energy mechanical alloying and consolidated using high temperature equal channel angular extrusion. The resultant microstructures are composed of nano/ultrafine or micrometer-sized grains with larger intermetallic precipitates and small Zr oxide clusters (

Atomistic computer simulations are capable of providing insights into physical mechanisms responsible for the extraordinary structural stability and strength of immiscible Cu–Ta alloys. To enable reliable simulations of these alloys, we have developed an angular-dependent potential (ADP) for the Cu–Ta system by fitting to a large database of first-principles and experimental data. This, in turn, required the development of a new ADP potential for elemental Ta, which accurately reproduces a wide range of properties of Ta and is transferable to severely deformed states and diverse atomic environments. The new Cu–Ta potential is applied for studying the kinetics of grain growth in nano-crystalline Cu–Ta alloys with different chemical compositions. Ta atoms form nanometer-scale clusters preferentially located at grain boundaries (GBs) and triple junctions. These clusters pin some of the GBs in place and cause a drastic decrease in grain growth by the Zener pinning mechanism. The results of the simulations are well consistent with experimental observations and suggest possible mechanisms of the stabilization effect of Ta.

The immiscible Cu-Ta system has garnered recent interest due to observations of high strength and thermal stability attributed to the formation of Ta-enriched particles. This work investigated a metastable Cu-1 at.% Ta solid solution produced via mechanical alloying followed by subsequent consolidation into a bulk specimen using equal channel angular extrusion at 973 K (700°C). Microstructural characterization revealed a decreased number density of Ta clusters, but with an equivalent particle size compared to a previously studied Cu-10 at.% Ta alloy. Molecular dynamic stimulations were performed to understand the thermal evolution of the Ta clusters. The cluster size distributions generated from the simulations were in good agreement with the experimental microstructure.

The present work [1] aims to reveal the effects of solute atoms (TM=Ag, Zn and Zr) on the age-hardening of Mg-Gd-based alloys via the density functional theory and electron work function (EWF) approaches. Based on the electronic structures of LPSOs (including 6H, 10H, 14H, 18R and 24R) [2], the 10H LPSO phases of Mg-Gd-TM alloys are selected as the model case due to the improved strength and ductility such long periodic stacking ordered precipitates (LPSOs) offer. The CALPHAD-modeling method is applied to predict the EWF in the ternary Mg-Gd-TM alloys. The obtained EWFs of these Mg alloys match well with previous experimental and theoretical results. Moreover, the variation of EWF in the ternary Mg-Gd-TM alloys is attributed to the structure contribution (i.e., the formation of FCC-type fault layers) and the chemical effect of solute atoms (i.e., electron redistributions characterized by bonding charge density — Δρ [3–5]). Comparisons of electron redistributions caused by mechanical and chemical contributions of solute atoms posit correlations between EWF and the formation energy of LPSO, which is critical to yield a predictive mesoscale or phenomenological model for age-hardening of Mg. It is found that the interfacial energy of 10H LPSO is decreased significantly with the addition of Zn and Zr, indicating the plasticity of 10H LPSO will be increased in the Mg-Gd-Zr and Mg-Gd-Zn alloys. The enhanced electrons along the basal plane caused by atomic clusters of Gd-TM suggest that the bond strength is improved along basal plane, while the reduced electrons in the prismatic and pyramidal planes indicate the bond strengths are weakened along prismatic and pyramidal planes. The EWF and hardness of Mg-Gd-TM (TM= Ag, Zn and Zr) alloy are also correlated, revealing that the EWF variations of ternary Mg-Gd-TM alloys are attributed to not only the mechanical contribution caused by lattice distortion but also the chemical effect of solute atoms. The attractive combination of physical (Δρ and EWF) and mechanical properties provides a new insight into studying the solid solution hardening behaviors of Mg-RE alloys.

Magnetic properties of BCC, FCC and HCP Fe and the effects of the ∑ 3 0 1 ¯ 1 > { 111 } grain boundary (GB) and the alloying elements of Cr, Ni, Ta and Zr are investigated by first-principles calculations. The FCC Fe changes continuously from the non-magnetic state at low volumes to the ferromagnetic state at high volumes. It is observed that Σ3{111} type GBs in FCC Fe have a negative formation energy since the formation of Σ3 GB is attributed to the local FCC–HCP transformation. Moreover, consistent with the variation of equilibrium volume caused by TM solute atoms, the magnetic moment of FCC Fe70TM2 is decreased with alloying Ni while increased with alloying Cr, Ta and Zr. Due to the difference in the valence electrons and atomic radius among those solute atoms, the chemical and mechanical effects on the bond structure of Σ3{111} GB in Fe and Fe70TM2 are respectively characterized by deformation electron density and plots of spin alignments. It is understood that the variation of the spin state of Fe70TM20 is dominated by the electron redistributions, as illustrated by the spin-flipping and the change of the bond structure. This work provides an insight into the effect of lattice distortion on ferromagnetism of FCC Fe and Fe70TM2

Nominally pure nanocrystalline metals do not remain nanostructured under extreme conditions of intense heating and or deformation preventing the study of their physical response under such conditions. Here we present the coupled effect of temperature and strain rate on the mechanical response of a thermally stabilized nanocrystalline Cu alloyed with 10 at% Ta. Compressive mechanical testing was performed from 24 to 1000 °C and strain rates ranging from quasi-static (10−1 s−1) to dynamic (104 s−1) rates. The response of this material exhibits a maximum quasi-static yield stress of 1.05 GPa at room temperature and an approximate yield stress of 0.5 GPa at 600 °C, with an apparently linear temperature response. In contrast to pure coarse-grained Cu, our assessment indicates that this Cu-based composite derives its properties from a combination of very small Cu-rich grains and well-dispersed Ta clusters and nanometer (

Ambient and cryogenic surface mechanical attrition treatments (SMAT) are applied to bcc iron plate. Both processes result in significant surface grain refinement down to the ultrafine-grained regime; the cryogenic treatment results in a 45% greater grain size reduction. However, the refined region is shallower in the cryogenic SMAT process. The tensile ductility of the grain size gradient remains low (

In this study, we demonstrate the feasibility of forming a bulk consolidated, low-density high-entropy alloy, namely AlFeMgTiZn, which shows reasonable mechanical properties and high hardness. The fabrication of the high-entropy alloy from powdered precursors via high-energy mechanical alloying as a function of milling time is presented. In turn, the evolution of the alloy microstructure with postmilling anneal treatment is elucidated. Last, the severe plastic deformation processing methodology, i.e., equal-channel angular extrusion, chosen for consolidation, is described and shown to result in a bulk product with good results.

It is a new beginning for innovative fundamental and applied science in nanocrystalline materials. Many of the processing and consolidation challenges that have haunted nanocrystalline materials are now more fully understood, opening the doors for bulk nanocrystalline materials and parts to be produced. While challenges remain, recent advances in experimental, computational, and theoretical capability have allowed for bulk specimens that have heretofore been pursued only on a limited basis. This article discusses the methodology for synthesis and consolidation of bulk nanocrystalline materials using mechanical alloying, the alloy development and synthesis process for stabilizing these materials at elevated temperatures, and the physical and mechanical properties of nanocrystalline materials with a focus throughout on nanocrystalline copper and a nanocrystalline Cu-Ta system, consolidated via equal channel angular extrusion, with properties rivaling that of nanocrystalline pure Ta. Moreover, modeling and simulation approaches as well as experimental results for grain growth, grain boundary processes, and deformation mechanisms in nanocrystalline copper are briefly reviewed and discussed. Integrating experiments and computational materials science for synthesizing bulk nanocrystalline materials can bring about the next generation of ultrahigh strength materials for defense and energy applications.