On elastic–viscoplastic modeling of nanotwinned metals based on coupled intra-twin and twin-boundary-mediated deformation mechanisms

An elastic–viscoplastic model has been developed for nanotwinned (nt) metals based on coupled intra-twin and twin-boundary-mediated (TBM) deformation mechanisms. The grain-size dependence of intra-twin plasticity was incorporated in the proposed model to determine the transitional twin thickness corresponding to the maximum strength. In addition, the joint distribution of grain size and twin thickness was also taken into account to simulate the microstructure of nt metals. The results obtained show that the TBM deformation mechanism dominated at low strain rate and small twin thickness, and that the grain-size and twin-thickness distributions had significant influence on the macroscopic behavior of nt metals. A linear relation between the transitional twin thickness and grain size is predicted by the proposed model, which is in good agreement with the results obtained from three-dimensional molecular dynamics simulations and experiments.     

Transcending Lindemann's predictions for the melting temperatures of metals and for the long-wavelength limit of their liquid structure factors

Lindemann's melting criterion remains useful. However, one prediction it makes for liquid metals (our focus here) is that the long-wavelength limit of the structure factor S(q) at freezing, S _{T m} (0), where T _m is the melting temperature, is a universal constant. For 34 metals we have calculated S _{T m} (0) from input data, which is essentially the measured T _m and the surface thickness L, defined near freezing as the product of isothermal compressibility and surface tension. To complete the characterization of S _{T m} (0) we fit to one metal, chosen as Rb, for which S _{T m} (0) is well established experimentally. For a wide variety of metals considered, S _{T m} (0) is then found to vary by a factor of 10.     

The inherent tensile strength of iron

The cohesive energy of Fe as a function of structure, strain and magnetic state has been computed using the full potential linearized augmented-plane-wave method within the framework of density functional theory and the generalized gradient approximation. Calculations corresponding to uniaxial stress in the <100> direction reveal that the ideal tensile strength of bcc Fe is about 14.2GPa and is determined by instability with respect to transformation into an unstable ferromagnetic fcc structure. The low-energy fcc phase is a modulatedantiferromagnetic fcc structure that is connected to the bcc phase via a first-order magnetic transformation and does not compromise its ideal strength.     

Quantitative defect evolution of nanocrystalline nickel during cold rolling

The defect evolution of cold-rolled nanocrystalline nickel is quantitatively investigated. We report that the density of dislocations (or stacking faults) first increases and then decreases after an equivalent strain of ～0.30. The density of stacking faults decreases more significantly than that of dislocations when the grain size increases above 35?nm. This is attributed to the grain size dependence of dislocation activity. The roles of texture and deformation twins are also considered to help understanding of the decreasing density of dislocations (or stacking faults).     

Reaction of a Ni-coated Al nanoparticle to form B2-NiAl: A molecular dynamics study

The kinetic reaction in a Ni-coated Al nanoparticle with equi-atomic fractions and diameter of approximately 4.5 nm is studied by means of molecular dynamics simulation, using a potential of the embedded atom type to model the interatomic interactions. First, the large driving force for the alloying of Ni and Al initiates solid state amorphization of the nanoparticle with the formation of Ni₅₀Al₅₀ amorphous alloy. Amorphization makes intermixing of the components much easier compared to the crystalline state. The average rate of penetration of Ni atoms can be estimated to be about two times higher than Al atoms, whilst the total rate of inter-penetration can be estimated to be of the order of 10^?2 m/s. The heat of the intermixing with the formation of Ni₅₀Al₅₀ amorphous alloy can be estimated at approximately ?0.34 eV/at. Next, the crystallization of the Ni₅₀Al₅₀ amorphous alloy into B2-NiAl ordered crystal structure is observed. The heat of the crystallization can be estimated as approximately ?0.08 eV/at. Then, the B2-NiAl ordered nanoparticle melts at a temperature of approximately 1500 K. It is shown that, for the alloying reaction in the initial Ni-coated Al nanoparticle, the ignition temperature can be as low as approximately 200 K, while the adiabatic temperature for the reaction is below the melting temperature of the nanoparticle with the B2-NiAl ordered structure.     

Mechanical properties of nanocrystalline deformed layers induced by nanogrinding of CdZnTe single crystals

Nanocrystalline deformed layers were generated in cadmium zinc telluride (CZT) single crystals by nanogrinding using three different grit sizes. The mechanical properties of the deformed layers were measured using nanoindentation. The hardness of the deformed nanocrystalline layers in the soft-brittle CZT semiconductor was higher than that of the perfect single crystal. This result is different from those found for deformed layers of hard-brittle silicon semiconductors, where the hardness of the deformed layers is lower than those of the perfect single crystal.     

Microstructure evolution and hardness variation of pack-rolled nanocrystalline nickel

The microstructure evolution and hardness of nanocrystalline nickel during pack rolling at room temperature have been investigated. It was found that the roll-bonding side (R) and non-roll-bonding side (NR) behaved quite differently. The hardness of side R is higher than that of side NR. No obvious work softening was observed in either side R or side NR until the strain reached ~ 0.611. Quantitative X-ray diffraction analysis indicated that the grain size in side NR increases faster than that in side R, a result confirmed by transmission electron microscopy. Texture analysis showed that (2 0 0) preferred orientation first strengthens but then weakens in both sides NR and R, while a strong (2 2 0) preferred orientation emerges, particularly in side R. Further texture analysis suggests that dislocation slip is responsible for the texture discrepancy between side NR and side R. The dislocation activity, grain rotation and grain growth are discussed based on the experimental results.     

Nanoporous gold obtained from a metallic glass precursor used as substrate for surface-enhanced Raman scattering

Nanoporous gold (NPG) has been synthesized by electrochemical de-alloying a new precursor, amorphous Au₃₀Cu₃₈Ag₇Pd₅Si₂₀ (at.%), starting from melt-spun ribbons. Ligaments ranging from 75 to 210 nm depending on the de-alloying time were obtained. Analytical and electrochemical evidence showed the ligaments contain residual Cu, Ag and Pd. Surface-enhanced Raman scattering from the NPG was investigated using pyridine and 4,4′-bi-pyridine as probe molecules. It was found that the activity is at maximum when the ribbon is fully de-alloyed although the ligaments then have a larger size. The enhancement is attributed to the small size of crystals in the ligaments, to their morphology and to trapped atoms.     

Iron in solution with aluminum matrix after non-equilibrium processing: an atom probe tomography study

In this paper, we report on the influence of rapid solidification and severe plastic deformation on the solid solubility of Fe in Al. Atom probe tomography, for the first time, was performed on fine (3–4 μm diameter) and coarse (~100 μm) as-atomised Al-5 at.% Fe powder and cryomilled Al-5 at.% Fe powder. The atomised powders exhibited negligible Fe in solution with Al, whereas the cryomilled powder contained ~2 at.% Fe in solution. Moreover, our results suggest that severe plastic deformation is preferable to atomisation/rapid solidification for increasing the non-equilibrium solid solubility of Fe in Al.     

Validation of a phenomenological strain-gradient plasticity theory

Strain-gradient plasticity theories have been developed to account for the size effect in small-scale plasticity in metals. However, they remain of limited use in engineering, for example in standards for nanoindentation, because of their phenomenological nature. In particular, a key parameter, the characteristic length, can only be determined by fitting to experiment. Here, it is shown that the characteristic length in one such theory derives directly from known quantities through fundamental dislocation physics. This explains and validates the theory for use in engineering.