Breaking Material Property Trade-offs via Macrodesign of Microstructure.

Many properties of materials are incompatible with each other or even completely exclusive. Here, we proposed a new concept in view of the trade-off paradox of material properties, which is to macrodirectionally design the microstructure of materials according to their specific service requirements to accurately use the properties of materials to the extreme. By using this concept, we successfully solved the paradox of high strength and high conductivity of copper contact wire in a high-speed train. Our concept can be used to solve the other property paradoxes of functional and structural materials.

Effective Surface Nano-Crystallization of Ni2FeCoMo0.5V0.2 Medium Entropy Alloy by Rotationally Accelerated Shot Peening (RASP).

The surface nano-crystallization of Ni2FeCoMo0.5V0.2 medium-entropy alloy was realized by rotationally accelerated shot peening (RASP). The average grain size at the surface layer is ~37 nm, and the nano-grained layer is as thin as ~20 µm. Transmission electron microscopy analysis revealed that deformation twinning and dislocation activities are responsible for the effective grain refinement of the high-entropy alloy. In order to reveal the effectiveness of surface nano-crystallization on the Ni2FeCoMo0.5V0.2 medium-entropy alloy, a common model material, Ni, is used as a reference. Under the same shot peening condition, the surface layer of Ni could only be refined to an average grain size of ~234 nm. An ultrafine grained surface layer is less effective in absorbing strain energy than a nano-grain layer. Thus, grain refinement could be realized at a depth up to 70 µm in the Ni sample.

Autophagy regulates colistin-induced apoptosis in PC-12 cells.

Colistin is a cyclic cationic polypeptide antibiotic with activity against multidrug-resistant Gram-negative bacteria. Our recent study demonstrated that colistin induces apoptosis in primary chick cortex neurons and PC-12 cells. Although apoptosis and autophagy have different impacts on cell fate, there is a complex interaction between them. Autophagy plays an important role as a homeostasis regulator by removing excessive or unnecessary proteins and damaged organelles. The aim of the present study was to investigate the modulation of autophagy and apoptosis regulation in PC-12 cells in response to colistin treatment. PC-12 cells were exposed to colistin (125 to 250 µg/ml), and autophagy was detected by visualization of monodansylcadaverine (MDC)-labeled vacuoles, LC3 (microtubule-associated protein 1 light chain 3) immunofluorescence microscopic examination, and Western blotting. Apoptosis was measured by flow cytometry, Hoechst 33258 staining, and Western blotting. Autophagosomes were observed after treatment with colistin for 12 h, and the levels of LC3-II gene expression were determined; observation and protein levels both indicated that colistin induced a high level of autophagy. Colistin treatment also led to apoptosis in PC-12 cells, and the level of caspase-3 expression increased over the 24-h period. Pretreatment of cells with 3-methyladenine (3-MA) increased colistin toxicity in PC-12 cells remarkably. However, rapamycin treatment significantly increased the expression levels of LC3-II and beclin 1 and decreased the rate of apoptosis of PC-12 cells. Our results demonstrate that colistin induced autophagy and apoptosis in PC-12 cells and that the latter was affected by the regulation of autophagy. It is very likely that autophagy plays a protective role in the reduction of colistin-induced cytotoxicity in neurons.

Ultrastrong and ductile medium-entropy alloys via hierarchical ordering.

Long-range ordered phases in most high-entropy and medium-entropy alloys (HEAs/MEAs) exhibit poor ductility, stemming from their brittle nature of complex crystal structure with specific bonding state. Here, we propose a design strategy to severalfold strengthen a single-phase face-centered cubic (fcc) Ni2CoFeV MEA by introducing trigonal κ and cubic L12 intermetallic phases via hierarchical ordering. The tri-phase MEA has an ultrahigh tensile strength exceeding 1.6 GPa and an outstanding ductility of 30% at room temperature, which surpasses the strength-ductility synergy of most reported HEAs/MEAs. The simultaneous activation of unusual dislocation multiple slip and stacking faults (SFs) in the κ phase, along with nano-SF networks, Lomer-Cottrell locks, and high-density dislocations in the coupled L12 and fcc phases, contributes to enhanced strain hardening and excellent ductility. This work offers a promising prototype to design super-strong and ductile structural materials by harnessing the hierarchical ordered phases.

Plasticity and Deformation Mechanisms of Ultrafine-Grained Ti in Necking Region Revealed by Digital Image Correlation Technique.

The conventional engineering stress-strain curve could not accurately describe the true stress-strain and local deformability of the necking part of tensile specimens, as it calculates the strain by using the whole gauge length, assuming the tensile specimen was deformed uniformly. In this study, we employed 3D optical measuring digital image correlation (DIC) to systematically measure the full strain field and local strain during the whole tensile process, and calculate the real-time strain and actual flow stress in the necking region of ultrafine-grained (UFG) Ti. The post-necking elongation and strain hardening exponent of the UFG Ti necking part were then measured as 36% and 0.101, slightly smaller than those of the coarse grained Ti (52% and 0.167), suggesting the high plastic deformability in the necking part of the UFG Ti. Finite elemental modeling (FEM) indicates that when necking occurs, strain is concentrated in the necking region. The stress state of the necking part was transformed from uniaxial in the uniform elongation stage to a triaxial stress state. A scanning electron microscopic (SEM) study revealed the shear and ductile fracture, as well as numerous micro shear bands in the UFG Ti, which are controlled by cooperative grain boundary sliding. Our work revealed the large plastic deformability of UFG metals in the necking region under a complex stress state.

Nano-Gradient Materials Prepared by Rotary Swaging.

Gradient nanostructured metallic materials with a nanostructured surface layer show immense potential for various industrial applications because of their outstanding mechanical, fatigue, corrosion, tribological properties, etc. In the past several decades, various methods for fabricating gradient nanostructure have been developed. Nevertheless, the thickness of gradient microstructure is still in the micrometer scale due to the limitation of preparation techniques. As a traditional but potential technology, rotary swaging (RS) allows gradient stress and strain to be distributed across the radial direction of a bulk cylindrical workpiece. Therefore, in this review paper, we have systematically summarized gradient and even nano-gradient materials prepared by RS. We found that metals processed by RS usually possess inverse nano-gradient, i.e., nano-grains appear in the sample center, texture-gradient and dislocation density-gradient along the radial direction. Moreover, a broad gradient structure is distributed from center to edge of the whole processed rods. In addition, properties including micro-hardness, conductivity, corrosion, etc., of RS processed metals are also reviewed and discussed. Finally, we look forward to the future prospects and further research work for the RS processed materials.

Structure modulation driven by cyclic deformation in nanocrystalline NiFe.

Theoretical modeling suggests that the grain size remains unchanged during fatigue crack growth in nanocrystalline metals. Here we demonstrate that a modulated structure is generated in a nanocrystalline Ni-Fe alloy under cyclic deformation. Substantial grain coarsening and loss of growth twins are observed in the path of fatigue cracks, while the grains away from the cracks remain largely unaffected. Statistical analyses suggest that the grain coarsening is realized through the grain lattice rotation and coalescence and the loss of growth twins may be related to the detwinning process near crack tip.

Visible and infrared transparency in lead-free bulk BaTiO(3) and SrTiO(3) nanoceramics.

Multifunctional transparent ferroelectric ceramics have widespread applications in electro-optical devices. Unfortunately, almost all currently used electro-optical ceramics contain a high lead concentration. In this work, via coupling of spark plasma sintering with high pressure, we have successfully synthesized bulk lead-free transparent nanostructured BaTiO(3) (abbreviated as BTO) and SrTiO(3) (STO) ceramics with excellent optical transparency in both visible and infrared wavelength ranges. This success highlights potential ingenious avenues to search for lead-free electro-optical ceramics.

Microstructure and Mechanical Properties of Ultrafine-Grained Copper by Accumulative Roll Bonding and Subsequent Annealing.

Recently, the accumulative roll bonding (ARB) technique has made significant progress in the production of various ultrafine-grained (UFG) metals and alloys. In this work, a UFG copper sheet was produced by ARB and subsequent annealing at 300 °C for 60 min to optimize strength and ductility. It was found that homogeneous lamellar UFG materials with a thickness of 200-300 nm were formed after six ARB passes. The microhardness and tensile strength of as-ARBed Cu increased, while the ductility and strain hardening decreased with the cumulative deformation strain. The as-ARBed specimens fractured in a macroscopically brittle and microscopically ductile way. After annealing, discontinuous recrystallization occurred in the neighboring interface with high strain energy, which was prior to that in the matrix. The recrystallization rate was enhanced by increasing the cumulative strain. UFG Cu ARBed for six passes after annealing manifested a completely recrystallized microstructure with grain sizes approximately ranging from 5 to 10 µm. Annealing treatment reduced the microhardness and tensile strength but improved the ductility and strain hardening of UFG Cu. As-annealed UFG-Cu fractured in a ductile mode with dominant dimples and shear zones. Our work advances the industrial-scale production of UFG Cu by exploring a simple and low-cost fabrication technique.

Effect of Cold and Warm Rolling on the Particle Distribution and Tensile Properties of Heterogeneous Structured AlN/Al Nanocomposites.

Recently, heterogeneous structured metals have attracted extensive interest due to their exciting mechanical properties. In this work, an AlN/Al nanocomposite with heterogeneous distribution of AlN nanoparticles was successfully prepared by a liquid-solid reaction method combined with subsequent extrusion deformation, which behaves an excellent synergy of tensile strength and ductility. In order to further reveal the particle distribution evolution and the tensile property response during further deformation, a series of rolling treatments with different thickness reductions under room temperature and 300 °C was carried out. The results show that the yield strength and tensile strength of the composites increase significantly from 238 MPa, 312 MPa to 312 MPa, 360 MPa after 85% rolling reduction at 300 °C. While the elongation decreased from 15.5% to 9.8%. It is also noticed that the elongation and tensile strength of the nanocomposites increases simultaneously with increasing deformation. It is considered that the aluminum matrix strengthening effect accounts for the strength enhancement. The AlN spatial distribution in the matrix becomes more homogeneous gradually during the rolling, which is supposed to reduce the stress concentration between the particle and matrix and then promote the ductility increase.

High Plasticity and Substantial Deformation in Nanocrystalline NiFe Alloys Under Dynamic Loading.

A nanocrystalline (NC) NiFe alloy is presented, in which both highly improved plasticity and strength are achieved by the dynamic-loading-induced deformation mechanisms of de-twinning (that is, reduction of twin density) and significant grain coarsening. This work highlights potential ingenious avenues to exploit the superior behavior of NC materials under extreme conditions.

Oxidation of CO catalyzed by a Cu cluster: influence of an electric field.

Adsorption ability and reaction rate are two essential parameters that define the efficiency of a catalyst. Herein, we implement density functional theory (DFT) and report that CO can be oxidized by a pyramidal Cu cluster with an associated reaction barrier E(b)=1.317 eV. In this case, our transition state calculations reveal that the barrier can be significantly lowered after superimposing a negative electric field. Moreover, when the field intensity corresponds to F=-0.010 au, the magnitude of E(b)=0.698 eV is equivalent to-or lower than-those of typical catalysts such as Pt, Rh, and Pd. The superimposition of a positive field is found to enhance the release of the nascent CO(2) molecule. Our study demonstrates that small Cu clusters have better adsorption ability than the corresponding flat surface while the field can be used to enhance the purification of the exhaust gas.

Ni Nanobuffer Layer Provides Light-Weight CNT/Cu Fibers with Superior Robustness, Conductivity, and Ampacity.

Carbon nanotube (CNT) fiber has not shown its advantage as next-generation light-weight conductor due to the large contact resistance between CNTs, as reflected by its low conductivity and ampacity. Coating CNT fiber with a metal layer like Cu has become an effective solution to this problem. However, the weak CNT-Cu interfacial bonding significantly limits the mechanical and electrical performances. Here, we report that a strong CNT-Cu interface can be formed by introducing a Ni nanobuffer layer before depositing the Cu layer. The Ni nanobuffer layer remarkably promotes the load and heat transfer efficiencies between the CNT fiber and Cu layer and improves the quality of the deposited Cu layer. As a result, the new composite fiber with a 2 µm thick Cu layer can exhibit a superhigh effective strength >800 MPa, electrical conductivity >2 × 107 S/m, and ampacity >1 × 105 A/cm2. The composite fiber can also sustain 10 000 times of bending and continuously work for 100 h at 90% ampacity.

Preparing bulk ultrafine-microstructure high-entropy alloys via direct solidification.

In the past three decades, nanostructured (NS) and ultrafine-microstructure (UFM) materials have received extensive attention due to their excellent mechanical properties such as high strength. However, preparing low-cost and bulk NS and UFM materials remains to be a challenge, which limits their industrial applications. Here, we report a new strategy to prepare bulk UFM alloys via the direct solidification of high-entropy alloys (HEAs). As a proof of concept, we designed AlCoCrxFeNi (1.8 ≤ x ≤ 2.0) HEAs and achieved a complete UFM in bulk materials. The compositional requirements for obtaining the formation of the UFM are highly demanding, necessitating the coupling of near eutectic alloy composition and the high temperature decomposition of supersaturated primary and secondary phases. Our strategy provides a low-cost and highly efficient method to prepare bulk UFM alloys, with great potential to accelerate the engineering application of these materials.

Effect of grain structure on Charpy impact behavior of copper.

Nanostructured (NS) and ultrafine-grained (UFG) materials have high strength and relatively low ductility. Their toughness has not been comprehensively investigated. Here we report the Charpy impact behavior and the corresponding microstructural evolutions in UFG Cu with equi-axed and elongated grains which were prepared by equal channel angular pressing (ECAP) for 2 and 16 passes at room temperature. It is found that their impact toughness (48 J/cm2) is almost comparable to that of coarse grained (CG) Cu: 55 J/cm2. The high strain rate during the Charpy impact was found to enhance the strain hardening capability of the UFG Cu due to the suppression of dynamic dislocation recovery. The crack in the CG Cu was blunted by dislocation-slip mediated plastic deformation, while the cracks in the UFG Cu were formed at grain boundaries and triple junctions due to their limited plasticity. Near the crack surfaces the elongated grains in ECAP-2 sample were refined by recrystallization, while equi-axed grains in the ECAP-16 sample grew larger.

Microstructure Evolution and Mechanical Properties of Al-TiB2/TiC In Situ Aluminum-Based Composites during Accumulative Roll Bonding (ARB) Process.

In this study, a kind of Al-TiB2/TiC in situ composite was successfully prepared using the melt reaction method and the accumulative roll-bonding (ARB) technique. The microstructure evolution of the composites with different deformation treatments was characterized using field emission scanning electron microscopy (FESEM) and a transmission electron microscope (TEM). The mechanical properties of the Al-TiB2/TiC in situ composite were also studied with tensile and microhardness tests. It was found that the distribution of reinforcement particles becomes more homogenous with an increasing ARB cycle. Meanwhile, the mechanical properties showed great improvement during the ARB process. The ultimate tensile strength (UTS) and microhardness of the composites were increased to 173.1 MPa and 63.3 Hv after two ARB cycles, respectively. Furthermore, the strengthening mechanism of the composite was analyzed based on its fracture morphologies.

Fabrication of Al/Mg/Al Composites via Accumulative Roll Bonding and Their Mechanical Properties.

Al(1060)/Mg(AZ31)/Al(1060) multilayered composite was successfully produced using an accumulative roll bonding (ARB) process for up to four cycles at an elevated temperature (400 °C). The microstructure evolution of the composites and the bonding characteristics at the interfaces between Al and Mg layers with increasing ARB cycles were characterized through optical microscopy, field emission scanning electron microscopy (FESEM) and transmission electron microscopy (TEM). It was found that the grains of Al and Mg layers were significantly refined and Al3Mg2 and Al12 Mg17 intermetallic compound layers formed at the Al/Mg bonding interfaces. The strength increased gradually and the ultimate tensile strength (UTS) reached a maximum value of about 240 MPa at the third pass. Furthermore, the strengthening mechanism of the composite was analyzed based on the fracture morphologies.

Effect of triple junctions on deformation twinning in a nanostructured Cu-Zn alloy: A statistical study using transmission Kikuchi diffraction.

Scanning electron microscopy transmission Kikuchi diffraction is able to identify twins in nanocrystalline material, regardless of their crystallographic orientation. In this study, it was employed to characterize deformation twins in Cu/10 wt % Zn processed by high-pressure torsion. It was found that in 83% of grains containing twins, at least one twin intersects with a triple junction. This suggests that triple junctions could have promoted the nucleation of deformation twins. It should be cautioned that this technique might be unable to detect extremely small nanoscale twins thinner than its step size.

Defects in silicene: vacancy clusters, extended line defects, and Di-adatoms.

Defects are almost inevitable during the fabrication process, and their existence strongly affects thermodynamic and (opto)electronic properties of two-dimensional materials. Very recent experiments have provided clear evidence for the presence of larger multi-vacancies in silicene, but their structure, stability, and formation mechanism remain largely unexplored. Here, we present a detailed theoretical study of silicene monolayer containing three types of defects: vacancy clusters, extended line defects (ELDs), and di-adatoms. First-principles calculations, along with ab initio molecular dynamics simulations, revealed the coalescence tendency of small defects and formation of highly stable vacancy clusters. The 5|8|5 ELD - the most favorable extended defect in both graphene and silicene sheets - is found to be easier to form in the latter case due to the mixed sp(2)/sp(3) hybridization of silicon. In addition, hybrid functional calculations that contain part of the Hatree-Fock exchange energy demonstrated that the introduction of single and double silicon adatoms significantly enhances the stability of the system, and provides an effective approach on tuning the magnetic moment and band gap of silicene.

Nanocrystalline ß-Ti alloy with high hardness, low Young's modulus and excellent in vitro biocompatibility for biomedical applications.

High strength, low Young's modulus and good biocompatibility are desirable but difficult to simultaneously achieve in metallic implant materials for load bearing applications, and these impose significant challenges in material design. Here we report that a nano-grained ß-Ti alloy prepared by high-pressure torsion exhibits remarkable mechanical and biological properties. The hardness and modulus of the nano-grained Ti alloy were respectively 23% higher and 34% lower than those of its coarse-grained counterpart. Fibroblast cell attachment and proliferation were enhanced, demonstrating good in vitro biocompatibility of the nano-grained Ti alloy, consistent with demonstrated increased nano-roughness on the nano-grained Ti alloy. Results suggest that the nano-grained ß-Ti alloy may have significant application as an implant material in dental and orthopedic applications.