Reverse Transformation in[110]-Oriented Face-Centered-Cubic Single Crystals Studied by Atomic Simulations

Bidirectional transformations,which are achieved by triggering both dynamic forward transformation from the face-centered-cubic(fcc)austenite to the hexagonal-close-packed(hcp)martensite and the reverse transformation from martensite to austenite during cold deformation,have been previously reported in FeMnCoCr-based high-entropy alloys(HEAs).This leads to the permanent refinement of microstructure and hence enhances the work-hardening capacity of alloys.In order to reveal the microscopic mechanism of the reverse transformation in HEAs under deformation,the effect of the sample aspect ratio,i.e.,Z/X,on the evolution of deformation systems in the equi-atomic FeMnCoCrNi alloy with[110]orientation during uniaxial tensile loading along the Z direction is investigated by atomic simulations in this study.When the aspect ratio is 0.5,the reverse transformation is more significant compared with other models,while a good plasticity can still be maintained.We then compare the micromechanical behavior of three fcc single crystals,i.e.,FeMnCoCrNi,FeCuCoCrNi,and pure Cu.The results show that the stacking fault energy plays a major role in the activation of different deformation mechanisms;however,the lattice distortion in the HEA does not significantly affect the activation of deformation systems.Furthermore,for all materials dislocation slip leads to the softening,while strain hardening is attributed to the initiation of multiple deformation mechanisms.The Shockley partials slip leads to bidirectional phase transition,twinning and detwinning in the three materials.Thus,the reverse transformation can occur in all metallic materials where the fcc to hcp phase transformation is the dominant deformation mechanism.These findings contribute to an in-depth understanding of the deformation mechanism in fcc-structured materials under severe plastic deformation and provide theoretical guidance for the design of alloys with superior strength–plasticity combinations.

Photoluminescence of face-centered-cubic structure silicon nanoparticles deposited by pulsed laser ablation

Face-centered-cubic(fcc) structure silicon nanoparticles(Si-nps) are synthesized by using nanosecond pulse excimer laser ablation of Si target in Ar ambient.The nonequilibrium environment caused by the plume confined in argon ambient gas is responsible for the formation of fcc Si-nps.Photoluminescence(PL),transmission electron microscopy,and X-ray photoelectron spectroscopy are used to characterize these Si-nps.Broad PL spectrum is obtained with a double-peak at 403 and 503 nm by an exciting laser of 325 nm.After exposure to air for 60 days,air oxidation over time causes a clear blue-shift in green PL peak from 503 to 484 nm and no shift in violet PL peak of 403 nm.The present results indicate that the peak of 503 nm and blue-shift from 503 to 484 nm are attributed to the band-to-band recombination of quantum confinement model,while the violet PL peak of 403 nm is due to the recombination of electron transition from interface states of suboxides.

Band Structure of Three-dimensional Phononic Crystals

By using the plane-wave-expansion method, the band structure of three-dimension phononic crystals was calculated, in which the cuboid scatterers were arranged in a host with a face-centered-cubic （FCC） structure.The influences of a few factors such as the component materials, the filling fraction of scatterers and the ratio （RHL） of the scatterer＇s height to its length on the band-gaps of phononic crystals were investigated.It is found that in the three-dimension solid phononic crystals with FCC structure, the optimum case to obtain band-gaps is to embed high-velocity and high-density scatterers in a low-velocity and low-density host. The maximum value of band-gap can be obtained when the filling fraction is in the middle value. It is also found that the symmetry of the scatterers strongly influences the band-gaps. For RHL＞1, the width of the band-gap decreases as RHL increases. On the contrary, the width of the band-gap increases with the increase of RHL when RHL is smaller than 1.

Structural Evolution Patterns of FCC-Type Gold Nanoclusters

Recent progress in the research of atomically-precise metal nanoclusters has identified a series of exceptionally stable nanoclusters with specific chemical compositions. Structural determination on such "magic size" nanoclusters revealed a variety of unique structures such as decahedron, icosahedron, as well as hexagonal close packing(hcp) and body-centered cubic(bcc) packing arrangements in gold nanoclusters, which are largely different from the face-centered cubic(fcc) structure in conventional gold nanoparticles. The characteristic geometrical structures enable the nanoclusters to exhibit interesting properties, and these properties are in close correlation with their atomic structures according to the recent studies. Experimental and theoretical analyses have been applied in the structural identification aiming to clarify the universal principle in the structural evolution of nanoclusters. In this mini-review, we summarize recent studies on periodic structural evolution of fcc-based gold nanoclusters protected by thiolates. A series of nanoclusters exhibit one-dimensional growth along the [001] direction in a layer-by-layer manner from Au_(23)(TBBT)_(20) to Au_(36)(TBBT)_(24),Au_(44)(TBBT)_(28), and to Au_(52)(TBBT)_(32)(TBBT: 4-tert-butylbenzenethiolate). The optical properties of these nanoclusters also evolve periodically based on steady-state and ultrafast spectroscopy. In addition, two-dimensional growth from Au_(44)(TBBT)_(28) toward both [100] and [010] directions leads to the Au_(92)(TBBT)_(44) nanocluster, and the recently reported Au_(52)(PET)_(32)(PET: 2-phenylethanethiol) also follows this growth pattern with partial removal of the layer. Theoretical predictions of relevant fcc nanoclusters include Au_(60)(SCH_3)_(36), Au_(68)(SCH_3)_(40), Au_(76)(SCH_3)_(44), etc, for the continuation of 1 D growth pattern, as well as Au_(68)(SR)_(38)mediating the 2 D growth pattern from Au_(44)(TBBT)_(28) to Au_(92)(TBBT)_(44). Overall, this mini-review provides guidelines on the rules of structural evolution of fcc gold nanoclusters based on 1 D, 2 D and 3 D growth patterns.

Influence of Shear Banding on the Formation of Brass-type Textures in Polycrystalline fcc Metals with Low Stacking Fault Energy

Texture evolution in nickel, copper and α-brass that are representative of face-centered-cubic （fcc） materials with different stacking fault energy （SFE） during cold rolling was systematically investigated. X-ray diffraction, scanning electron microscopy and electron backscatter diffraction techniques were employed to characterize microstructures and local orientation distributions of specimens at different thickness reductions. Besides, Taylor and Schmid factors of the {111} 〈110〉 slip systems and {111} 〈112〉 twin systems for some typical orientations were utilized to explore the relationship between texture evolution and deformation microstructures. It was found that in fcc metals with low SFE at large deformations, the copper-oriented grains rotated around the 〈110〉 crystallographic axis through the brass-R orientation to the Goss orientation, and finally toward the brass orientation. The initiation of shear banding was the dominant mechanism for the above-mentioned texture transition.