Analysis of deformation mechanisms in magnesium single crystals using a dedicated four-point bending tester

In this study,we explored the deformation mechanisms of Mg single crystals using a combination of scanning electron microscopy and electron backscattered diffraction in conjunction with a dedicated four-point bending tester.We prepared two single-crystal samples,oriented along the<1120>and<1010>directions,to assess the mechanisms of deformation when the initial basal slip was suppressed.In the<1120>sample,the primary{1012}twin(T1)was confirmed along the<1120>direction of the sample on the compression side with an increase in bending stress.In the<1010>sample,T1 and the secondary twin(T2)were confirmed to be along the<1120>direction,with an orientation of±60°with respect to the bending stress direction,and their direction matched with(0001)in T1 and T2.This result implies that crystallographically,the basal slip occurs readily.In addition,the<1010>sample showed the double twin in T1 on the compression side and the tertiary twin along the<1010>direction on the tension side.These results demonstrated that the maximum bending stress and displacement changed significantly under the bend loading because the deformation mechanisms were different for these single crystals.Therefore,the correlation between bending behavior and twin orientation was determined,which would be helpful for optimizing the bending properties of Mg-based materials.

Purification of copper foils driven by single crystallization

High-purity copper(Cu) with excellent thermal and electrical conductivity, is crucial in modern technological applications, including heat exchangers, integrated circuits, and superconducting magnets. The current purification process is mainly based on the zone/electrolytic refining or anion exchange, however, which excessively relies on specific integrated equipment with ultra-high vacuum or chemical solution environment, and is also bothered by external contaminants and energy consumption. Here we report a simple approach to purify the Cu foils from 99.9%(3N) to 99.99%(4N) by a temperature-gradient thermal annealing technique, accompanied by the kinetic evolution of single crystallization of Cu.The success of purification mainly relies on(i) the segregation of elements with low effective distribution coefficient driven by grain-boundary movements and(ii) the high-temperature evaporation of elements with high saturated vapor pressure.The purified Cu foils display higher flexibility(elongation of 70%) and electrical conductivity(104% IACS) than that of the original commercial rolled Cu foils(elongation of 10%, electrical conductivity of ~ 100% IACS). Our results provide an effective strategy to optimize the as-produced metal medium, and therefore will facilitate the potential applications of Cu foils in precision electronic products and high-frequency printed circuit boards.

Single crystal growth and transport properties of narrow-bandgap semiconductor RhP_(2)

We report the growth of high-quality single crystals of RhP_(2),and systematically study its structure and physical properties by transport,magnetism,and heat capacity measurements.Single-crystal x-ray diffraction reveals that RhP_(2) adopts a monoclinic structure with the cell parameters a=5.7347(10)A,b=5.7804(11)A,and c=5.8222(11)A,space group P2_(1)/c(No.14).The electrical resistivityρ(T)measurements indicate that RhP_(2) exhibits narrow-bandgap behavior with the activation energies of 223.1 meV and 27.4 meV for two distinct regions,respectively.The temperaturedependent Hall effect measurements show electron domain transport behavior with a low charge carrier concentration.We find that RhP_(2) has a high mobilityμ_(e)~210 cm^(2)·V^(-1)·s^(-1)with carrier concentrations n_(e)~3.3×10^(18)cm^(3) at 300 K with a narrow-bandgap feature.The high mobilityμ_(e) reaches the maximum of approximately 340 cm^(2)·V^(-1)·s^(-1)with carrier concentrations n_^(e)~2×10^(18)cm^(-3)at 100 K.No magnetic phase transitions are observed from the susceptibilityχ(T)and specific heat C_(p)(T)measurements of RhP_(2).Our results not only provide effective potential as a material platform for studying exotic physical properties and electron band structures but also motivate further exploration of their potential photovoltaic and optoelectronic applications.

Single crystal growth and characterization of 166-type magnetic kagome metals

Kagome magnets were predicted to be a good platform to investigate correlated topology band structure,Chern quantum phase,and geometrical frustration due to their unique lattice geometry.Here we reported single crystal growth of 166-type kagome magnetic materials,including HfMn_(6)Sn_(6),ZrMn_(6)Sn_(6),GdMn_(6)Sn_(6)and GdV_(6)Sn_(6),by using the flux method with Sn as the flux.Among them,HfMn_(6)Sn_(6)and ZrMn_(6)Sn_(6)single crystals were grown for the first time.X-ray diffraction measurements reveal that all four samples crystallize in HfFe6Ge6-type hexagonal structure with space group P6/mmm.All samples show metallic behavior from temperature dependence of resistivity measurements,and the dominant carrier is hole,except for GdV6Sn6 which is electron dominated.All samples have magnetic order with different transition temperatures,HfMn_(6)Sn_(6),ZrMn_(6)Sn_(6)and GdV_(6)Sn_(6)are antiferromagnetic with TN of 541 K,466 K and 4 K respectively,while GdMn_(6)Sn_(6)is ferrimagnetic with the critical temperature of about 470 K.This study will enrich the research platform of magnetic kagome materials and help explore the novel quantum phenomena in these interesting materials.The dataset of specific crystal structure parameters for HfMn_(6)Sn_(6)are available in Science Data Bank,with the link.

Localization effect in single crystal of RuAs_(2)

We report the magnetotransport and thermal properties of RuAs_(2) single crystal.RuAs_(2) exhibits semiconductor behavior and localization effect.The crossover from normal state to diffusive transport in the weak localization(WL)state and then to variable range hopping(VRH)transport in the strong localization state has been observed.The transitions can be reflected in the measurement of resistivity and Seebeck coefficient.Negative magnetoresistance(NMR)emerges with the appearance of localization effect and is gradually suppressed in high magnetic field.The temperature dependent phase coherence length extracted from the fittings of NMR also indicates the transition from WL to VRH.The measurement of Hall effect reveals an anomaly of temperature dependent carrier concentration caused by localization effect.Our findings show that RuAs_(2) is a suitable platform to study the localized state.

Understand anisotropy dependence of damage evolution and material removal during nanoscratch of MgF_(2) single crystals

To understand the anisotropy dependence of the damage evolution and material removal during the machining process of MgF_(2) single crystals,nanoscratch tests of MgF_(2) single crystals with different crystal planes and directions were systematically performed,and surface morphologies of the scratched grooves under different conditions were analyzed.The experimental results indicated that anisotropy considerably affected the damage evolution in the machining process of MgF_(2) single crystals.A stress field model induced by the scratch was developed by considering the anisotropy,which indicated that during the loading process,median cracks induced by the tensile stress initiated and propagated at the front of the indenter.Lateral cracks induced by tensile stress initiated and propagated on the subsurface during the unloading process.In addition,surface radial cracks induced by the tensile stress were easily generated during the unloading process.The stress change led to the deflection of the propagation direction of lateral cracks.Therefore,the lateral cracks propagated to the workpiece surface,resulting in brittle removal in the form of chunk chips.The plastic deformation parameter indicated that the more the slip systems were activated,the more easily the plastic deformation occurred.The cleavage fracture parameter indicated that the cracks propagated along the activated cleavage planes,and the brittle chunk removal was owing to the subsurface cleavage cracks propagating to the crystal surface.Under the same processing parameters,the scratch of the(001)crystal plane along the[100]crystal-orientation was found to be the most conducive to achieving plastic machining of MgF_(2) single crystals.The theoretical results agreed well with the experimental results,which will not only enhance the understanding of the anisotropy dependence of the damage evolution and removal process during the machining of MgF_(2) crystals,but also provide a theoretical foundation for achieving the high-efficiency and low-damage processing of anisotropic single crystals.

A Comparative Investigation of Single Crystal and Polycrystalline Ni-Rich NCMs as Cathodes for Lithium-Ion Batteries

Nickel-rich LiNi_(1-x-y)Co_(x)Mn_(y)O_(2)(NCM,1-x-y≥0.6)is known as a promising cathode material for lithium-ion batteries since its superiority of high voltage and large capacity.However,polycrystalline Ni-rich NCMs suffer from poor cycle stability,limiting its further application.Herein,single crystal and polycrystalline LiNi_(0.84)Co_(0.07)Mn_(0.09)O_(2)cathode materials are compared to figure out the relation of the morphology and the electrochemical storage performance.According to the Li^(+)diffusion coefficient,the lower capacity of single crystal samples is mainly ascribed to the limited Li+diffusion in the large bulk.In situ XRD illustrates that the polycrystalline and single crystal NCMs show a virtually identical manner and magnitude in lattice contraction and expansion during cycling.Also,the electrochemically active surface area(ECSA)measurement is employed in lithium-ion battery study for the first time,and these two cathodes show huge discrepancy in the ECSA after the initial cycle.These results suggest that the single crystal sample exhibits reduced cracking,surface side reaction,and Ni/Li mixing but suffers the lower Li^(+)diffusion kinetics.This work offers a view of how the morphology of Ni-rich NCM effects the electrochemical performance,which is instructive for developing a promising strategy to achieve good rate performance and excellent cycling stability.

Review of solution growth techniques for 4H-SiC single crystal

Silicon carbide(SiC),a group IV compound and wide-bandgap semiconductor for high-power,high-frequency and high-temperature devices,demonstrates excellent inherent properties for power devices and specialized high-end markets.Solution growth is thermodynamically favorable for producing SiC single crystal ingots with ultra-low dislocation density as the crystallization is driven by the supersaturation of carbon dissolved in Si-metal solvents.Meanwhile,solution growth is conducive to the growth of both N-and P-type SiC,with doping concentrations ranging from 10^(14)to 10^(19)cm^(-3).To date,4-inch 4H-SiC substrates with a thickness of 15 mm produced by solution growth have been unveiled,while substrates of 6 inches and above are still under development.Based on top-seeded solution growth(TSSG),several growth techniques have been developed including solution growth on a concave surface(SGCS),melt-back,accelerated crucible rotation technique(ACRT),two-step growth,and facet growth.Multi-parameters of the solution growth including meniscus,solvent design,flow control,dislocation conversion,facet growth,and structures of graphite components make high-quality single crystal growth possible.In this paper,the solution growth techniques and corresponding parameters involved in SiC bulk growth were reviewed.

Centimeter-sized Cs_(3)Cu_(2)I_(5)single crystals grown by oleic acid assisted inverse temperature crystallization strategy and their films for high-quality X-ray imaging

Low-dimensional halide perovskites have become the most promising candidates for X-ray imaging,yet the issues of the poor chemical stability of hybrid halide perovskite,the high poisonousness of lead halides and the relatively low detectivity of the lead-free halide perovskites which seriously restrain its commercialization.Here,we developed a solution inverse temperature crystal growth(ITCG)method to bring-up high quality Cs_(3)Cu_(2)I_(5)crystals with large size of centimeter order,in which the oleic acid(OA)is introduced as an antioxidative ligand to inhibit the oxidation of cuprous ions effieiently,as well as to decelerate the crystallization rate remarkalby.Based on these fine crystals,the vapor deposition technique is empolyed to prepare high quality Cs_(3)Cu_(2)I_(5)films for efficient X-ray imaging.Smooth surface morphology,high light yields and short decay time endow the Cs_(3)Cu_(2)I_(5)films with strong radioluminescence,high resolution(12 lp/mm),low detection limits(53 nGyair/s)and desirable stability.Subsequently,the Cs_(3)Cu_(2)I_(5)films have been applied to the practical radiography which exhibit superior X-ray imaging performance.Our work provides a paradigm to fabricate nonpoisonous and chemically stable inorganic halide perovskite for X-ray imaging.

Effects of temperature on critical resolved shear stresses of slip and twining in Mg single crystal via experimental and crystal plasticity modeling

Magnesium(Mg)single crystal specimens with three different orientations were prepared and tested from room temperature to 733 K in order to systematically evaluate effects of temperature on the critical resolved shear stress(CRSS)of slips and twinning in Mg single crystals.The duplex non-basal slip took place in the temperature range from 613 to 733 K when the single crystal samples were stretched along the<0110>direction.In contrast,the single basal slip and prismatic slip were mainly activated in the temperature range from RT to 733 K when the tensile directions were inclined at an angle of 45°with the basal and the prismatic plane,respectively.Viscoplastic self-consistent(VPSC)crystal modeling simulations with genetic algorithm code(GA-code)were carried out to obtain the best fitted CRSSs of major deformation modes,such as basal slip,prismatic slip,pyramidalⅡ,{1012}tensile twinning and{1011}compressive twinning when duplex slips accommodated deformation.Additionally,CRSSs of the basal and the prismatic slip were derived using the Schmid factor(SF)criterion when the single slip mainly accommodated deformation.From the CRSSs of major deformation modes obtained by the VPSC simulations and the SF calculations,the CRSSs for basal slip and{1012}tensile twinning were found to show a weak temperature dependence,whereas those for prismatic,slip and{1011}compressive twinning exhibited a strong temperature dependence.From the comparison of previous results,VPSC-GA modeling was proved to be an effective method to obtain the CRSSs of various deformation modes of Mg and its alloys.

Single crystal growth and electronic structure of Rh-doped Sr_(3)Ir_(2)O_(7)

Ruddlesden-Popper iridate Sr_(3)Ir_(2)O_(7)is a spin-orbit coupled Mott insulator.Hole doped Sr_(3)Ir_(2)O_(7)provides an ideal platform to study the exotic quantum phenomena that occur near the metal-insulator transition(MIT)region.Rh substitution of Ir is an effective method to induce hole doping into Sr_(3)Ir_(2)O_(7).However,the highest doping level reported in Sr_(3)(Ir_(1-x)Rh_(x))_(2)O_(7)single crystals was only around 3%,which is far from the MIT region.In this paper,we report the successful growth of single crystals of Sr3(Ir_(1-x)Rh_(x))_(2)O_(7)with a doping level of~9%.The samples have been fully characterized,demonstrating the high quality of the single crystals.Transport measurements have been carried out,confirming the tendency of MIT in these samples.The electronic structure has also been examined by angle-resolved photoemission spectroscopy(ARPES)measurements.Our results establish a platform to investigate the heavily hole doped Sr_(3)Ir_(2)O_(7) compound,which also provide new insights into the MIT with hole doping in this material system.

Stable yellow light emission from lead-free copper halides single crystals for visible light communication

Yellow light-emitting diodes(LEDs) as soft light have attracted abundant attention in lithography room, museum and art gallery. However, the development of efficient yellow LEDs lags behind green and blue LEDs, and the available perovskites yellow LEDs suffer from the instability. Herein, a pressure-assisted cooling method is proposed to grow lead-free CsCu2I3single crystals, which possess uniform surface morphology and enhanced photoluminescence quantum yield(PLQY) stability, with only 10% PLQY losses after being stored in air after 5000 h.Then, the single crystals used for yellow LEDs without encapsulation exhibit a decent Correlated Color Temperature(CCT) of 4290 K, a Commission Internationale de l’Eclairage(CIE) coordinate of(0.38, 0.41), and an excellent 570-h operating stability under heating temperature of 100°C. Finally, the yellow LEDs facilitate the application in wireless visible light communication(VLC), which show a-3 dB bandwidth of 21.5 MHz and a high achievable data rate of 219.2 Mbps by using orthogonal frequency division multiplexing(OFDM) modulation with adaptive bit loading. The present work not only promotes the development of lead-free single crystals, but also inspires the potential of CsCu2I3in the field of yellow illumination and wireless VLC.

High cycle fatigue behavior of the second generation single crystal superalloy DD6

The second generation single crystal superalloy DD6 with 0.10%Hf and 0.34%Hf （in mass fraction） was subjected to high-cycle fatigue （HCF） loading at temperatures of 700 ℃ in ambient atmosphere. SEM was used to determine the initiation site and the failure mechanism. Evolution of the microstructure was investigated by TEM observation. The results show that fatigue limit of DD6 alloy with 0.34%Hf is a little smaller than that of the alloy with 0.10%Hf. The fatigue cracks initiated on the surface or near the surface of the specimens. The crack would propagate along { 111 } octahedral slip planes, rather than perpendicular to the loading axis of specimen. Typical fatigue striation formed in steady propagation of fatigue crack. The fracture mechanisms of the high cycle fatigue of DD6 alloys with 0.10%Hf and 0.34%Hf are quasi-cleavage fracture. Different types of dislocation structures were developed during high cycle fatigue deformation.

Temperature dependence of anisotropic stress-rupture properties of nickel-based single crystal superalloy SRR99

In order to reveal the temperature dependence of anisotropic stress？rupture behavior of SRR99 single crystal superalloys under conditions of temperature ranging from 650 to 1 040 °C and typical stresses,fracture morphologies and microstructure evolution were investigated by SEM and TEM.From the Larson-Miller curves,it is found that single crystal with [001] orientation has the optimum stress rupture property in comparison with [011] and [111] orientations at lower and intermediate temperature.With increasing temperature to 1 040 °C,stress-rupture properties of single crystals with three principal orientations tend to be equivalent.Based on the fracture surface and microstructural observations,superior stress？rupture behavior of single crystal with [001] orientation was rationalized and the effect of misorientation of single crystal on stress rupture property was also discussed.

Surface recrystallization of single crystal nickel-based superalloy

As-cast single crystal （SC） superalloy samples were shot peened and then annealed at different temperatures to investigate the effect of annealing temperature on the surface recrystallization behavior of the SC superalloy. The results show that the depth of recrystallized layers increases with the increase of annealing temperature. Below 1200 °C, the recrystallization depth climbs slowly with temperature rising. Above 1200 °C, the recrystallization depth increases sharply with the rise of temperature. The morphology of recrystallized grains is significantly affected by annealing temperature. Below the γ′ solvus, cellular recrystallization may be observed. Above the γ′ solvus, recrystallization occurs through the growth of well developed recrystallized grains. In addition, the microstructure evolution of recrystallized grains at the homogenization annealing temperature was studied. It is found that recrystallized grains first nucleate in the dendritic core areas on the shot-peened surface and then grow inwards along the dendritic core areas. With the dissolution of the coarse γ′ precipitates and γ/γ′ eutectics in the interdendritic areas, the recrystallized grain boundaries move through the interdendritic areas. Finally, the fully developed grains nearly have a uniform depth. The dissolution of primary γ′ precipitates is a critical factor influencing the recrystallization behavior of SC superalloys.

Influence of temperature on tensile behavior and deformation mechanism of Re-containing single crystal superalloy

Tensile properties of a Re-containing single crystal superalloy were determined within the temperature range from 20 to 1 100 ℃with a constant strain rate of 1.67 ×10^-4 s^-1.From room temperature to 600 ℃,the yield strength increases slightly with increasing temperature.The yield strength decreases to aminimum at 760 ℃,while a maximum is reached dramatically at 800 ℃.The elongation and area reduction decrease gradually from room temperature to 800 ℃.Above 800 ℃,the yield strength decreases significantly with increasing temperature.The γ＇ phase is sheared by antiphase boundary （APB） below 600 ℃while elongated SSF （superlattice stacking fault） is left in γ＇ as debris.At 760 ℃the γ＇ phase is sheared by a/3 112 superpartial dislocation,which causes decrease of yield strength due to low energy of SSF.Above 800 ℃dislocations overcome γ＇ through by-passing mechanism.

Effect of ruthenium on γ' precipitation behavior and evolution in single crystal superalloys

The effect of Ru on γ＇ precipitation behavior and evolution in single crystal superalloys with different Ru contents were investigated by scanning electron microscopy with energy dispersive spectroscopy,3D atomic probing,differential scanning calorimetry.The results show that the solvus of the γ＇ phase decreases gradually with increasing Ru content in the alloys by casting or by the same solution and aging treatments,the alloy with a larger Ru content yields a smaller γ＇ phase.The addition of Ru increases the growth rate and coarsening rate of the γ＇ phase.Ru mainly distributes in the γ phase,which causes more Re and Mo partition into the γ＇ phase,increasing the absolute value of mismatch and the rafting rate of the γ＇ phase.

Effect of carbon addition on carbide morphology of single crystal Ni-based superalloy

Single crystal superalloys of AM3 with different carbon levels were prepared at withdraw rate of 50μm/s. The effect of carbon addition on the carbide morphology was investigated. It was found that there were four types of MC-type carbides, acicular, nodular, blocky, and Chinese script-type in the crystals. With an increase in carbon level, the volume fraction of carbide increased significantly while the volume fraction of eutectic decreased significantly. Furthermore, the size of carbide in high level carbon alloy became much larger.

Creep properties and microstructure evolution of nickel-based single crystal superalloy at different conditions

The creep properties of nickel-based single crystal superalloy with [001] orientation was investigated at different test conditions. The microstructure evolution of γ′ phase, TCP phase and dislocation characteristic after creep rupture was studied by SEM and TEM. The results show that the alloy has excellent creep properties. Two different types of creep behavior can be shown in the creep curves. The primary creep is characterized by the high amplitude at test conditions of (760 °C, 600 MPa) and (850 °C, 550 MPa) and the primary creep strain is limited at (980 °C, 250 MPa), (1100 °C, 140 MPa) and (1120 °C, 120 MPa). A little change ofγ′precipitate morphology occurs at (760 °C, 600 MPa). The lateral merging of the γ′ precipitate has already begun at (850 °C, 550 MPa). Theγphase is surrounded by theγ′phase at (980 °C, 250 MPa). Theγphase is no longer continuous tested at (1070 °C, 140 MPa). At (1100 °C, 120 MPa), the thickness ofγphase continues to increase. No TCP phase precipitates in the specimens at (760 °C, 600 MPa), (850 °C, 550 MPa) and (980 °C, 250 MPa). Needle shaped TCP phase precipitates in the specimens tested at (1070 °C, 140 MPa) and (1100 °C, 120 MPa). The dislocation shear mechanism including stacking fault formation is operative at lower temperature and high stress. The dislocation by-passing mechanism occurs to form networks atγ/γ′interface under the condition of high temperature and lower stress.

Effect of Ru on stress rupture properties of nickel-based single crystal superalloy at high temperature

Two experimental single crystal superalloys, Ru-free alloy and Ru-containing alloy with [001] orientation, other alloying element contents being basically kept same, were cast in the directionally solidified furnace. The effect of Ru on the stress rupture properties of the single crystal superalloy was investigated at （980 ℃, 250 MPa）, （1100 ℃, 140 MPa） and （1120 ℃, 140 MPa）. The results show that Ru can enhance high temperature stress rupture properties of single crystal superalloy. The improvement effect of Ru addition on stress rupture properties decreases with increasing test temperature. The γ′ coarsening and rafting directionally are observed in Ru-free alloy and Ru-containing alloy after stress rupture test. Needle shaped TCP phases precipitated in both of alloys after stress rupture test at （1100 ℃, 140 MPa） and （1120 ℃, 140 MPa） and no TCP phase was observed in both of alloys after stress rupture test （980 ℃, 250 MPa）. The precipitate volume fraction of TCP phases is significantly decreased by the addition of Ru. At last, the relationship between the microstructure change with Ru addition and improvement of stress rupture properties was discussed.