Search Results (250)

GeSi alloy quantum dots (QDs) are a promising candidate for a light source implemented in Si-based monolithic optoelectronic integrated circuits (MOEICs) thanks to their telecom-wavelength emission and the compatibility with the Si integration technology. Herein, the engineering properties of GeSi alloy QDs are demonstrated via rapid thermal annealing (RTA). The PL spectra of GeSi alloy QDs exhibits remarkably enhanced intensity and an initial red shift followed by a blue shift with increasing annealing temperature. Particularly, it can be characterized as a single narrow peak at ~1.55 µm of the intensity enhanced by ~20 times after the RTA at 1100 °C. These features are attributed to the progressively enhanced intermixing and the abnormal transition from compressive strain to tensile strain in QDs with increasing annealing temperature, which are demonstrated by Raman spectra and transmission electron microscopy (TEM) images. Moreover, a large polycrystalline-domain appears around QD at a sufficiently high annealing temperature. It facilitates the tensile strain in QDs, which arises during the RTA due to the thermal expansion coefficient mismatch between Ge and Si. These results demonstrate that high-temperature annealing can efficiently modulate the properties of GeSi alloy QDs, particularly for emission at 1.55 µm, which may have great potential for an efficient Si-based light source. Full article

High-entropy alloys, due to their excellent mechanical properties and service stability, hold broad application prospects under extreme working conditions. However, their high strength and complex multi-component characteristics also pose significant processing challenges. This study investigates the nanoscale material removal mechanisms of single-crystal and polycrystalline FeCrNiCoCu high-entropy alloys (HEAs) under abrasive scratching using molecular dynamics simulations. In single-crystal HEAs, dislocations preferentially nucleate along <110> directions, with significant lattice self-healing and elastic recovery. Crystallographic orientation strongly affects dislocation density, phase transformation, and residual plastic deformation, with the (100) plane exhibiting the most favorable machining performance. For polycrystalline HEAs, subsurface deformation is dominated by dislocation migration, grain boundary rupture, and dislocation entanglement, leading to higher dislocation density, larger residual plastic deformation, and increased phase transformation compared with single crystals. Elemental composition significantly modulates these behaviors: higher Cu and Cr contents suppress dislocation motion and reduce subsurface defects, improving surface quality, whereas higher Fe content slightly increases plastic deformation but mitigates phase transformation and amorphization. Grain size effects are also pronounced, with smaller grains showing higher dislocation density and residual deformation. These findings provide atomic-scale insights into the combined effects of crystallography, grain size, and elemental composition on the machining response of FeCrNiCoCu HEAs, offering guidance for precision machining and alloy design. Full article

This study investigates the elastic anisotropy and thermodynamic properties of the L1₂-type ScAl₃ phase under extreme conditions (0–1500 K and 0–50 GPa) using first-principles calculations. The elastic constants were determined using a precise stress–strain method, with polycrystalline moduli derived via the Voigt–Reuss–Hill (VRH) approximation. A systematic analysis was conducted to characterize the elastic anisotropy of Young’s modulus, shear modulus, and Poisson’s ratio. Results demonstrate that ScAl₃ is mechanically stable and exhibits near-perfect elastic isotropy (A^U = 0.0001). Thermodynamic analysis via the quasi-harmonic Debye–Grüneisen model reveals that the phase maintains its structural integrity and significant heat resistance up to 1500 K, despite thermal softening. These findings provide theoretical insights into the physical nature of ScAl₃ intermetallics and offer quantitative guidance for the design and thermal treatment of Sc-reinforced aluminum alloys in high-temperature aerospace applications due to their superior combination of strength and toughness. Full article

Magnesium (Mg) alloys are promising for automotive lightweighting and the low-altitude economy, yet their reliability is challenged by stress corrosion cracking (SCC). To realize a quantitative and physics-based evaluation of SCC resistance, this study develops a mesoscale simulation framework coupling dislocation density-based crystal plasticity with an anodic dissolution phase-field model. A 2D representative volume element is constructed for randomly textured polycrystalline Mg to investigate the synergistic acceleration of corrosion by dislocation slip and hydrostatic stress. Results show that heterogeneous dislocation multiplication induced by pre-deformation is the decisive factor in corrosion path selection. In soft-oriented grains, high dislocation densities elevate the interface kinetic coefficient to levels substantially higher than those in hard-oriented regions. Notably, within such soft grains, the contribution of dislocation density to the interface kinetic coefficient can be up to 7.7 times that of hydrostatic stress, establishing dislocation-induced lattice disorder as the primary accelerator for transgranular corrosion. Hard-oriented grains effectively impede corrosion propagation due to restricted dislocation proliferation. This study elucidates how grain orientation-dependent dislocation evolution regulates corrosion morphology, revealing that the random texture delays overall structural failure based on a “weakest-link” mechanism. Full article

High-performance cutting materials are central to modern production engineering. Cemented carbides dominate industrial tooling, while polycrystalline boron nitride (PcBN) is established for hard turning and finishing nickel-based alloys. The associated tool manufacturing chains are energy- and effort-intensive, motivating approaches that reduce material losses and primary energy demand. This study quantifies energy consumption across the production of solid carbide cutting tools with a focus on near-net-shape green machining, its impact on subsequent grinding and material recirculation. It also quantifies energy consumption for regrinding PcBN cutting tools. Power measurements were recorded during green machining and tool grinding of cylindrical versus pre-contoured (green-machined) blanks, including coolant units for the carbide tools during operation. Tool performance of the carbide tools was assessed via milling tests in 42CrMo4; PcBN reground tools were evaluated in Inconel 718. In the process chain of carbide tool production, specific energy decreased from 6.98 to 6.36 kWh/kg (−8.88%) despite +0.461 kWh/kg for green machining; direct recirculation of green-machined material saved an additional 5.861 kWh/kg. Reground PcBN inserts achieved comparable tool life to new tools while reducing energy by ≈85% per insert. The dominant levers for energy reduction are shorter grinding times in the presence of high machine and coolant base loads and systematic regrinding of high-embodied-energy tools. Full article

HfO₂ films have become a critical component for advanced electronics and a wide range of applications. However, their implementation requires control of their microstructure and defects, which often act as charge carrier traps, leading to leakage current in devices and hindering their dielectric properties. Here, we deposit HfO₂ thin films by atomic layer deposition (ALD) on sapphire, Ga₂O₃, and InGaO₃ substrates at low temperature and investigate the dependence of their crystal structure on substrate type, annealing, and thickness. X-ray diffraction measurements showed that alloying Ga₂O₃ with a modest amount of Indium transferred HfO₂ films from amorphous to polycrystalline, an important finding that may be applicable to the deposition of other material systems. The study also presents an interesting approach to measuring shallow and deep traps formed in the films and shows how to control their levels and distributions in the band gap. The measurements reveal that the difference in band gap between the substrate and film, as well as the presence of impurities, strongly influences trap densities and depths. Electron paramagnetic resonance (EPR) measurements were performed to probe the electronic structure of specific point defects detectable by EPR and to correlate these results with trap measurements. Full article

Nanostructured metallic materials are widely applied in various fields due to their excellent comprehensive properties. Enhancing mechanical properties through microstructure design has emerged as a novel strengthening strategy. In this contribution, the microscopic mechanical behavior of coarse-grained and gradient-structured nanocrystalline NiCoAl alloys during tensile deformation was investigated via molecular dynamics simulations. Based on the investigation of compositional effects, the Ni₆₀Co₃₀Al₁₀ alloy composition was selected, exhibiting a yield strength of 4.92 GPa. The results indicate that increasing Al content reduces the material’s strength, Young’s modulus, and work hardening effect. Furthermore, by introducing a gradient structure with grain sizes gradually varying from 1.8 nm to 6.5 nm into the alloy, the yield strength reaches 1.8 GPa and the flow stress reaches 3.35 GPa, demonstrating a significant improvement compared to the uniform coarse-grained structure. Upon introducing the gradient structure into the alloy, it was observed that geometrically necessary dislocations (GNDs) nucleate in the coarse-grained region during deformation and gradually extend towards the fine-grained region. The increased grain boundary density effectively impedes dislocation motion and enhances dislocation pinning capability, thereby inducing continuous strain hardening and improving plasticity. By promoting the accumulation and interaction of grain boundary dislocations, the gradient structure achieves further strengthening and strain hardening in the alloy, providing a theoretical basis and simulation foundation for designing high-performance advanced alloys. Full article

The structure and composition of a refractory Ni-containing CrMoNbTaVW high-entropy-alloy (HEA) thin film were investigated. The HEA thin film with a thickness of 5 μm was grown via conventional direct current magnetron sputtering from a multiple-elemental compound target. The Ni-containing HEA thin film with a Ni concentration of 3.6 at. % exhibits a single-phase body-centered cubic (BCC) crystal structure with a lattice parameter of a = 0.316 nm. The grains in the HEA thin film are columns, extended in the growth direction. They are not aligned exactly perpendicular to the substrate surface. The thin film grows in a polycrystalline structure with a tendency to preferred orientation or texture. Energy-dispersive X-ray analyses of the HEA thin film show near-equal atomic concentrations of Cr, Mo, Nb, Ta, V, and W elements in the range 15–17 at. % with almost uniform distribution. In contrast, Ni is not uniformly distributed in the film, and grains with a different Ni concentrations were observed. The defects observed in the HEA thin film are mainly single dislocations or an assembly of dislocations, which could be caused by residual stresses in the layer forming during the growth of the HEA thin film. Full article

Intermetallic Fe₃Al-based alloys reinforced with Laves-phase precipitates are emerging as potential replacements for conventional high-alloy steels and possibly polycrystalline Ni-based superalloys in structural applications up to 700 °C. Their impressive mechanical properties, however, are offset by limited fabricability and poor machinability due to their severe brittleness. High tool wear during finish-machining, which is still required for components such as turbine blades, remains a key barrier to their broader adoption. In contrast to conventional manufacturing routes, additive manufacturing offers a viable solution by enabling near-net-shape manufacturing of difficult-to-machine iron aluminides. In the present study, laser powder bed fusion was used to produce an Fe-25Al-1.5Ta intermetallic containing strengthening Laves-phase precipitates, and the porosity, microstructure and phase composition were characterized as a function of the process parameters. The results showed that preheating the build plate to 650 °C effectively suppressed delamination and macrocrack formation, even though noticeable cracking still occurred at the high scan speed of 1000 mm/s. X-ray tomography revealed that samples fabricated with a lower scan speed (500 mm/s) and a higher layer thickness (0.1 mm) contained larger, irregularly shaped pores, whereas specimens printed at the same volumetric energy density (40 J/mm³) but with different parameter sets exhibited smaller fractions of predominantly spherical pores. All samples contained mostly elongated grains that were either oriented close to <001> relative to the build direction or largely texture-free. X-ray diffraction confirmed the presence of Fe₃Al and C14-type (Fe, Al)₂Ta Laves phase in all samples. Hardness values fell within a narrow range (378–398 HV10), with only a slight reduction in the specimen exhibiting higher porosity. Full article

Intermetallic NiMn-based Heusler alloys (HAs) have garnered considerable attention due to their multifunctionality and applications in various fields, including sensors, actuation, refrigeration, and waste heat harvesters. Among the NiMn-based alloys, Ni-Mn-Sn alloys have gained considerable attention since their structural and magnetic transformations were discovered. Many studies have been conducted with various compositions and shapes to investigate the physical properties of Ni-Mn-Sn alloys, which offer several advantages, including non-toxicity, low cost, and abundant constituents. The Co-doping effect on the physical properties of Ni-Mn-Sn alloys has been widely reported. This doping can rectify the ternary Ni-Mn-Sn Heusler compound’s brittleness by crystallizing a disordered face-centered cubic (fcc) γ-phase. In this study, a polycrystalline Ni₄₂Mn₄₆CoSn₁₁ Heusler alloy was prepared by high-frequency fusion (HF), using a Lin Therm 600 device, from pure Ni, Mn, Sn, and Co elements with appropriate proportions. X-ray diffraction, scanning electron microscopy, and magnetic magnetometry devices were used to study the structural, microstructural, and magnetic properties. The XRD results revealed the coexistence of a disordered 7 M martensite phase (~88%) and a disordered cubic solid solution γ-phase (~12%). The alloy underwent a second-order ferromagnetic-to-paramagnetic phase transition at a Curie temperature of 350 K. Landau and Hamad’s theoretical models were used to plot the magnetic entropy change. The magnetocaloric properties (the maximum entropy change value, ΔS_M, the full width at half maximum of the entropy change curve, δT_FWHM, the relative cooling power, RCP, and the heat capacity, ΔC_P,H) were calculated using isothermal magnetization curves with the phenomenological model of Hamad. Full article

In this work, small amounts of Fe or Cr were added to Ni₄₇Co₃Mn_36.5In_13.5 alloy (x = 0) to produce five-component alloys with nominal compositions of Ni₄₇Co₃Mn_35.5In_13.5Fe₁, Ni₄₇Co₃Mn_33.5In_13.5Fe₃, Ni₄₇Co₃Mn_35.5In_13.5Cr₁, and Ni₄₇Co₃Mn_33.5In_13.5Cr₃, which are denoted as Ni₄₇Co₃Mn_36.5−xIn_13.5Fe_x/Cr_x (x = 1, 3 at.% Cr/Fe) series or as Mn-series (due to the addition of alloying elements instead of Mn), and Ni₄₇Co₃Mn_36.5In_12.5Fe₁, Ni₄₇Co₃Mn_36.5In_10.5Fe₃, Ni₄₇Co₃Mn_36.5In_12.5Cr₁, and Ni₄₇Co₃Mn_36.5In_10.5Cr₃, denoted as Ni₄₇Co₃Mn_36.5In_13.5−x (x = 1, 3 at.% Cr/Fe) series or In-series (due to the addition of alloying elements instead of In). The polycrystalline alloys were produced using the vacuum arc melting technique. The as-received alloys were characterized in structure, homogeneity, phase composition, martensitic transformation, and microhardness. The results showed that the addition of 1 at.% of Cr or Fe positively impacted the microstructure of the alloys. The quaternary alloy exhibited a single-phase coarse-grained structure. The addition of Fe and Cr (1 at.%) caused microstructure refinement with small Fe/Cr- and Co-rich γ particles appropriately distributed in the matrix, while the addition of 3% Fe or Cr resulted in γ formation in a dendritic form distributed more randomly. The addition of 1 at.% and 3 at.% of Cr or Fe significantly influenced the martensitic transformation temperatures. The microhardness increased by 21% in the Ni₄₇Co₃Mn_33.5In_13.5Fe₃ alloy compared to the quaternary alloy. Full article

CoCrFeNiMn high entropy alloy (HEA) fabricated via laser-based powder bed fusion (PBF-LB/M) exhibits exceptional mechanical properties, including high strength, better ductility than titanium alloy, and superior corrosion resistance. This study simulates the intergranular fracture behavior of PBF-LB/M CoCrFeNiMn HEA under tensile loading by embedding cohesive elements with damage mechanisms into polycrystalline representative volume elements based on the crystal plasticity finite element method. The simulation results show good agreement with reported experimental stress–strain curves, demonstrating that the crystal plastic constitutive model combined with the cohesive constitutive model can accurately describe both the macroscopic response behavior and fracture failure behavior of the CoCrFeNiMn HEA. Furthermore, this work investigates the mechanical properties of the HEA in different tensile directions, the improvement of anisotropy through columnar-to-equiaxed grain transition, and the effect of texture strength on crack initiation and propagation. The results show that the polycrystalline CoCrFeNiMn HEA exhibits anisotropic mechanical properties: simulated yield strengths (YSs) are 436.9 MPa (in the scanning direction) and 484.7 MPa (in the building direction), tensile strengths (TSs) reach 639 MPa and 702.5 MPa, and elongations (ELs) are 10.6% and 21.8%, respectively. After equiaxed grain formation, the EL in the scanning direction increased from 10.6% to 17.2%, while the EL in the building direction decreased from 21.8% to 20.3%. Concurrently, the anisotropy coefficients of YS, TS, and EL decreased by 1.8%, 2.2%, and 36.1%, respectively. The cracks initiate at stress concentrations and subsequently propagate along grain boundaries until final fracture. Variations in texture strength significantly influence the crack initiation location and propagation path in the CoCrFeNiMn HEA. Full article

The effect of dislocation pile-ups responsible for the generation or annihilation of dislocations during friction of Ag and Ni was considered. The steady-state friction was accompanied by the formation of twin bundles, intersecting twins, dislocations, adiabatic elongated shear bands, and intense dynamic recrystallization. The mechanisms of microstructural stability and friction instability were analyzed. The theoretical models of dislocation generation and annihilation in nanocrystalline FCC metals in the context of plastic deformation and failure development under friction were proposed. The transition to unstable friction was estimated. The damage of Ag was exhibited in the formation of pores, reducing the contact area and significantly increasing the shear stress. The brittle fracture of Ni represents a catastrophic failure associated with the formation of super-hard nickel oxide. Deformation resistance of the dislocation structures in the mesoscale and macroscale was compared. The coefficient of similitude (K) has been introduced in this work to compare plastic deformation at different scales. The model of the strength–ductility trade-off and microstructural instability is considered. The interaction between the migration of dislocation pile-ups and the driving forces applied to the grain boundaries was estimated. Nanostructure stabilization through the addition of a polycrystalline element (solute) to the crystal interiors in order to reduce the free energy of grain boundary interfaces was investigated. The thermodynamic driving force and kinetic energy barrier involved in strengthening, brittleness, or annealing under plastic deformation and phase formation in alloys and composite materials were examined. Full article

The microstructure and magnetic properties of rare-earth-free, melt-spun Co₇₄Zr₁₆Mo₄Si₃B₃ alloys were investigated to enhance their hard magnetic response and elucidate their coercivity mechanism. The alloys exhibit a polycrystalline microstructure composed of randomly oriented, equiaxed grains, predominantly comprising the rhombohedral hard magnetic Co₁₁Zr₂ phase (92.4 wt.%). These materials display a favorable combination of magnetic properties, with coercive fields up to 581 kA/m, maximum magnetization reaching 0.30 T, and Curie temperatures as high as 751 K. An interpretation of the results, based on microstructural features, intrinsic magnetic parameters, and micromagnetic simulations, indicates that the coercivity mechanism of these melt-spun alloys can be attributed to the nucleation of reverse magnetic domains. Full article

In this paper, the low-cycle fatigue deformation behavior of polycrystalline γ-TiAl alloys at different temperatures was investigated by molecular dynamics simulations. The results showed that the fatigue process comprises an initial cyclic softening stage followed by saturation, and the stress–strain response of the material shows significant asymmetry. With an increase in temperature, the asymmetry between tensile and compressive stresses gradually decreases, and the amplitude of saturated stress decreases significantly. The decrease in dislocation density leads to the cyclic softening of the alloy, and the evolution of dislocation density is temperature-dependent. The dislocation density first decreases and then tends to be stable, while at 900 °C and 1000 °C, it shows an abnormal trend of decreasing first and then increasing. In addition, microscopic mechanism analysis shows that grain coarsening, dislocation annihilation, and phase instability lead to the cyclic softening of the alloys. The fatigue plastic accumulation at low temperatures is mainly dominated by dislocation slip, while at high temperatures, grain boundary slip gradually replaces dislocation slip and becomes the main deformation mechanism. This work reveals new insights into the mechanical behavior of polycrystalline γ-TiAl alloys under cyclic plasticity and temperature-dependent deformation mechanisms. Full article