Since the as-cast microstructure benefits dynamic recrystallization(DRX)nucleation,the present research is focused on the microstructure evolution associated with the dendrites and precipitates during the thermal defo...Since the as-cast microstructure benefits dynamic recrystallization(DRX)nucleation,the present research is focused on the microstructure evolution associated with the dendrites and precipitates during the thermal deformation of an ingot without homogenization treatment aiming at exploring a new efficient strategy of ingot cogging for superalloys.The as-cast samples were deformed at the sub-solvus temperature,and the DRX evolution from dendritic arms(DAs)to inter-dendritic regions(IDRs)was discussed based on the observation of the fishnet-like DRX microstructures and the gradient of DRX grain size at IDRs.The difference in the precipitates at DAs and IDRs played an essential role during the deformation and DRX process,which finally resulted in very different microstructures in the two areas.A selective straininduced grain boundary bulging(SIGBB)mechanism was found to function well and dominate the DRX nucleation at DAs.The grain boundary was able to migrate and bulge to nucleate on the condition that the boundary was located at DAs and had a great difference in dislocation density between its opposite sides at the same time.As for DRX nucleation at IDRs,the particle-stimulated nucleation(PSN)mechanism played a leading role,and the progressive subgrain rotation(PSR)and geometric DRX were two important supplementary mechanisms.The dislocation accumulation around the coarse precipitates at IDR resulted in progressive orientation rotation,which would generate DRX nuclei once the maximum misorientation there was sufficient to form a high-angle boundary with the matrix.The PSR or geometric DRX functioned at the severely elongated IDRs at the later stage of deformation,depending on the thickness of the elongated IDRs.The uniform microstructure was obtained by the deformation without homogenization and the subsequent annealing treatment.The smaller strain,the lower annealing temperature,and the much shorter soaking time requested in the above process lead to a smaller risk of cracking and a lower consumption of energy during the ingot-cogging process.展开更多
This study investigates the anodic dissolution and electrochemical behavior of molybdenum in a NaCl-KCl molten salt system at 1023 K.The anodic dissolution process was systematically analyzed,revealing a sequential ox...This study investigates the anodic dissolution and electrochemical behavior of molybdenum in a NaCl-KCl molten salt system at 1023 K.The anodic dissolution process was systematically analyzed,revealing a sequential oxidation pathway of molybdenum into high-valence ions(Mo^(6+),Mo^(5+),Mo^(4+))under vary-ing electrolysis potentials.Electrochemical Impedance Spectroscopy(EIS)demonstrated that the dissolu-tion is governed by both charge transfer and diffusion mechanisms,with reduced impedance at higher potentials facilitating molybdenum dissolution.The reduction behavior of dissolved molybdenum ions was further explored using cyclic voltammetry(CV)and square wave voltammetry(SWV),confirming a multi-step reduction process controlled by diffusion and high reversibility.Nucleation studies using chronoamperometry established that molybdenum deposition follows an instantaneous nucleation mech-anism.Morphological analysis of cathodic deposits revealed that current density significantly influences particle size,transitioning from nano-sized spherical particles to larger equiaxed crystals with increasing current density.These findings provide a comprehensive understanding of molybdenum’s electrochemical properties in molten salts,offering valuable insights for optimizing electrolysis processes and advancing molybdenum-based material production.展开更多
The effects of strain rates on the hot working characteristics and nucleation mechanisms of dynamic recrystallization (DRX) were studied by optical microscopy and electron backscatter diffraction (EBSD) technique. Hot...The effects of strain rates on the hot working characteristics and nucleation mechanisms of dynamic recrystallization (DRX) were studied by optical microscopy and electron backscatter diffraction (EBSD) technique. Hot compression tests were conducted using a Gleeble-1500 simulator at a true strain of 0.7 in the temperature range of 1000 to 1150 °C and strain rate range of 0.01 to 10.00 s?1. It is found that the size and volume fraction of the DRX grains in hot-deformed Inconel 625 superalloy firstly decrease and then increase with increasing strain rate. Meanwhile, the nucleation mechanism of DRX is closely related to the deformation strain rate due to the deformation thermal effect. The discontinuous DRX (DDRX) with bulging of original grain boundaries is the primary nucleation mechanism of DRX, while the continuous DRX (CDRX) with progressive subgrain rotation acts as a secondary nucleation mechanism. The twinning formation can activate the nucleation of DRX. The effects of bulging of original grain boundaries and twinning formation are firstly gradually weakened and then strengthened with the increasing strain rate due to the deformation thermal effect. On the contrary, the effect of subgrain rotation is firstly gradually strengthened and then weakened with the increasing strain rate.展开更多
Dynamic recrystallization （DRX） mechanisms of a nickel-based corrosion-resistant alloy, G3, were investigated by hot compression tests with temperatures from 1050 to 1200 ℃ and strain rates from 0.1 to 5.0 s-1. Def...Dynamic recrystallization （DRX） mechanisms of a nickel-based corrosion-resistant alloy, G3, were investigated by hot compression tests with temperatures from 1050 to 1200 ℃ and strain rates from 0.1 to 5.0 s-1. Deformation microstructure was observed at the strain from 0.05 to 0.75 by electron backscatter diffraction （EBSD） and transmission electron microscope （TEM）. Work hardening rate curves were calculated to analyze the effect of deformation parameters on the nucleation process. Results indicate that strain-induced grain boundary migration is the principal mechanism of DRX. Large annealing twins promote nucleation by accumulating dis- locations and fragmenting into cell blocks. Continuous dynamic recrystallization is also detected to be an effective supplement mechanism, especially at low temperature and high strain rate.展开更多
Phosphogypsum-based materials (PBM) were synthesized with varied phase compositions of phosphogypsum,portland cement and fly ash.Effects of fractal growth characteristics on physicochemical properties,pore structure,c...Phosphogypsum-based materials (PBM) were synthesized with varied phase compositions of phosphogypsum,portland cement and fly ash.Effects of fractal growth characteristics on physicochemical properties,pore structure,compressive strength,as well as the hydration behaviour and mineralogical conversion of mortars were examined by a multitechnological approach,including mercury intrusion porosimetry,rietved phase analysis,thremal analysis,calorimetry and Fourier transforminfrared spectroscopy analysis.Expermental results indicate that the specimens cured with mosite resulted in higher strength and lower porosity compared with those cured in the drying chamber.In addition,a more complicated course of the aluminate and silicate reactions during the hydration process has been published,with the hydration products mainly consisting of calcium silicate hydrate (C-S-H),portlandite,ettringite,hemicarbonate,monocarboaluminate,calcite,quartz,a mixed AFm passed with carbonate,and hydroxide.After all,the nucleation process is a reaction that can be defined as a solid,liquid and gaseous phases that goes through the four stages of materialization mixing and modification,i e,hydration of low calcium content,secondary hydration,high calcium condensation and geoplymensation,respectively.The rupture,recombination,polymerization reactions of Si-O,Ca-O,Al-O bonds contribute to the nucleation mechanism that serves as the formation of C-S-H in hydration products.展开更多
Nucleation sites of α-Al grains after addition of an Al-Ti-B master alloy into pure aluminium have been investigated using EPMA. The results show that either TiAl3 or boride particales can nucleate α-Al grains. But ...Nucleation sites of α-Al grains after addition of an Al-Ti-B master alloy into pure aluminium have been investigated using EPMA. The results show that either TiAl3 or boride particales can nucleate α-Al grains. But the number of TiAl3 nucleants is reduced with the holding time prolonged and the boride-nuclei are increasing gradually. Based on these results, a new refining method, adding molten Al-Ti-B into commercially pure aluminium, which has a quicker and better refining efficiency is presented.展开更多
It is challenging to assess the mechanism responsible for the nucleation of inclusions in metals at high temperatures.The present work therefore systematically investigates the nucleation of cerium oxide inclusions ac...It is challenging to assess the mechanism responsible for the nucleation of inclusions in metals at high temperatures.The present work therefore systematically investigates the nucleation of cerium oxide inclusions according to classical nucleation theory and a two-step nucleation mechanism.The nucleation rates and nucleation radii of these inclusions are obtained,and the results demonstrate a considerable difference between theoretical and experimental values.On the basis of a two-step nucleation mechanism,(CeO_(2))_(n) and(Ce_(2)O_(3))_(n)(n=1-6)clusters were constructed and the thermodynamic properties of both these clusters and of cerium oxide nanoparticles were analyzed.In addition,the entropies and heat capacity changes of cerium oxides were determined using first principles calculations and are found to be consistent with literature data.The present data indicate that the cerium oxide inclusion nucleation pathway can be summarized as[Ce]+[O]→(CeO_(2))n/(Ce_(2)O_(3))_(n)→(Ce_(2)O_(3))_(n)→(Ce_(2)O_(3))_(2)→core(Ce_(2)O_(3)crystal)-shell((Ce_(2)O_(3))_(2) cluster)nanoparticles→(Ce_(2)O_(3))bulk.展开更多
Lithium metal batteries(LMBs)possess outstanding theoretical energy density and have attracted widespread attention as the next generation of energy storage devices for various crucial applications.However,the commerc...Lithium metal batteries(LMBs)possess outstanding theoretical energy density and have attracted widespread attention as the next generation of energy storage devices for various crucial applications.However,the commercialization of LMBs has to simultaneously overcome numerous challenges,such as inferior Coulombic efficiency and cycling performance,high self-discharge,and complicated interfacial reactions.It has traditionally been an enormous challenge about the uniform deposition of lithium on the surface of current collector to relieve the formation of lithium dendrites.In this study,a novel efficient strategy of plating uniform lithiophilic polythiophene derivatives substrates on Cu foils was developed and the nucleation mechanism of Li ions on polythiophene derivatives substrates was further explored.We first explored the interaction between polythiophene derivatives substrates and Li ions by firstprinciples calculations,and found shorter side chains of polythiophene derivatives can enhance the adsorption energy and promote the diffusion rate of Li ions.Polythiophene derivatives substrates have a large number of dispersive lipophilic sites and Li ions diffusion channels in the main chain,which can effectively regulate the nucleation and growth stages of Li ions deposition.We further found polythiophene derivatives with different side chains can induce the electrodeposition of Li ions with different morphology,while the polythiophene derivatives with the shortest side chains can contribute to the most excellent cycle efficiency,resulting in a uniform lithium deposition with less lithium dendritic growth experimentally.展开更多
Carbon nanotube formation exemplifies atomically precise self-assembly,where atomic interactions dynamically engineer nanoscale architectures with emergent properties that transcend classical material boundaries.Howev...Carbon nanotube formation exemplifies atomically precise self-assembly,where atomic interactions dynamically engineer nanoscale architectures with emergent properties that transcend classical material boundaries.However,elucidating the transient molecular intermediates remains a critical mechanistic frontier.This study investigates the atomic-scale nucleation process of single-walled carbon nanotubes(SWCNTs)from acetylene on iron(Fe)clusters,utilizing GFN(-x)TB-based nanoreactor molecular dynamics simulations.The simulations reveal a consistent nucleation pathway,regardless of iron cluster size(Fe_(13),Fe_(38),Fe_(55)),where the chemisorption and dissociation of acetylene molecules on the Fe clusters lead to the formation of C_(2)H and C_(2)intermediates.These species then undergo oligomerization,initiating the growth of carbon chains.As the chains cross-link and cyclize,five-membered carbon rings are preferentially formed,which eventually evolve into six-membered rings and more complex sp2-hybridized carbon networks,resembling the cap structures of nascent SWCNTs.Although the nucleation mechanism remains similar across all cluster sizes,larger clusters show enhanced catalytic activity,leading to higher molecular weight hydrocarbons and more extensive carbocyclic networks due to their higher density of active sites per reacting molecule.Crucially,the study highlights the role of C_(2)H as the key active species in the carbon network formation process.These findings offer critical insights into the initial stages of SWCNT nucleation,contributing to a deeper understanding of the mechanisms driving SWCNT growth and guiding the development of optimized synthetic strategies.展开更多
Near-monodisperse NaYF4：Yb/Er nanoparticles（NPs） with controlled size, phases（α,β） and shapes（sphere, and hexagonal plate） were synthesized by adjusting the NaF to RE（RE = Y, Yb, Er） ratios, the reaction te...Near-monodisperse NaYF4：Yb/Er nanoparticles（NPs） with controlled size, phases（α,β） and shapes（sphere, and hexagonal plate） were synthesized by adjusting the NaF to RE（RE = Y, Yb, Er） ratios, the reaction temperature and time in the hot surfactant solutions（oleic acid, 1-octadecene） from the improved one-pot thermal decomposition metal trifluoroacetate, and the precursors were prepared via hydrothermal route. The growth kinetics of β-NaYF4 NPs includes several stages： nucleation, growth of aNaYF4, Ostwald ripening, size shrinkage and growth. The results prove that the temperatures are preferred to the phase transformation compared with the NaF content when other experimental conditions are unchanged. Our work will further facilitate the comprehension of the nucleation and growth mechanisms of the NPs, and provide guidance for their controlled synthesis.展开更多
In this work,highly monodispersed Pt-Ni alloy nanoparticles were directly deposited on carbon substrate through a facile electrodeposition strategy in the solvent system of N,N-dimethylformamide(DMF).A series of carbo...In this work,highly monodispersed Pt-Ni alloy nanoparticles were directly deposited on carbon substrate through a facile electrodeposition strategy in the solvent system of N,N-dimethylformamide(DMF).A series of carbon supported Pt-Ni alloy electrocatalysts were synthesized under different applied electrode potentials.Among all as-obtained samples,the Pt-Ni/C electrocatalyst deposited at-1.73 V exhibits the optimal specific activity up to 1.850 mA cm^(-2)at 0.9 V vs.RHE,which is 6.85 times higher than that of the commercial Pt/C.Comprehensive physiochemical characterizations and computational evaluations via density functional theory were conducted to unveil the nucleation and growth mechanism of PtNi alloy formation.Compared to the aqueous solution,DMF solvent molecule must not be neglected in avoiding particle agglomeration and synthesis of monodispersed nanoparticles.During the alloy co-deposition process,Ni sites produced through the reduction of Ni(Ⅱ)precursor not only facilitates Pt-Ni alloy crystal nucleation but also in favor of further Pt reduction on the Ni-inserted Pt surface.As for the deposition potential,it adjusts the final particle size.This work provides a hopeful extended Pt-based catalyst layer production strategy for proton exchange membrane fuel cells and a new idea for the nucleation and growth mechanism exploration for electrodeposited Pt alloy.展开更多
Al-3B master alloy is a kind of efficient grain refiner for hypoeutectic Al-Si alloys. Experiments were carried out to evaluate the effect of undissolved AlB2 particles in Al-3B master alloy on the grain refinement of...Al-3B master alloy is a kind of efficient grain refiner for hypoeutectic Al-Si alloys. Experiments were carried out to evaluate the effect of undissolved AlB2 particles in Al-3B master alloy on the grain refinement of Al-7Si. It is found that the number and the settlement of AlB2 particles in the melt all have effect on the grain refining efficiency. On the basis of experiments and theoretical analysis, a new grain refinement mechanism was proposed to explain the grain refinement action of Al-3B on hypoeutectic Al-Si alloys. The formation of ＇Al-AlB2＇ shell structure is the direct reason for grain refinement and the undissolved AlB2 particles is the indirect nucleating base for subsequent α（Al） phase.展开更多
The chemical structure of polyamide 6(PA6)dictates that only 50%of hydrogen bonds participate in crystallization during the crystallization process,resulting in the properties of its products being significantly depen...The chemical structure of polyamide 6(PA6)dictates that only 50%of hydrogen bonds participate in crystallization during the crystallization process,resulting in the properties of its products being significantly dependent on the molding process.Therefore,the design and development of nucleating agents suitable for PA6 holds great practical significance for high-performance PA6 materials.Amide-based nucleating agents can effectively improve the crystallization rate by increasing intermolecular hydrogen bond density.Further introduction of hydroxyl groups can enhance the hydrogen bonding interactions between the nucleating agent and PA6.In this study,a hydroxyl-containing amidebased nucleating agent,BHT,was designed and synthesized using a tyramine-based biomass as the raw material.These results demonstrated that BHT exhibited good structural compatibility with PA6.After adding 1 wt%BHT,the crystallization temperature of PA6 increased from 170.9℃to 193.3℃,the crystallinity increased 16.6%,the heat distortion temperature and Vicat softening temperature rose to 89.5 and 187.8℃,respectively,the haze decreased to 46%,achieving the synergistic optimization of mechanical,thermal,and optical properties.The in situ time-resolved FTIR results indicated that the addition of BHT increased the enthalpy of hydrogen bond formation during the nucleation stage,facilitated the segmental conformation adjustment of PA6,and enhanced the molar concentration of trans-conformations,ultimately leading to an improvement in the crystallization rate.展开更多
The coercivity mechanism of Nd Fe B magnets prepared by combination of strip casting with hydrogen decrepitation techniques was investigated. The microstructure of (Nd 0.935 Dy 0.065 ) 14.5 Fe 79.4 ...The coercivity mechanism of Nd Fe B magnets prepared by combination of strip casting with hydrogen decrepitation techniques was investigated. The microstructure of (Nd 0.935 Dy 0.065 ) 14.5 Fe 79.4 B 6.1 magnet was observed. The average grain size is about 6～12 μm. The magnetizing field dependence of the hardmagnetic properties for the (Nd 0.935 Dy 0.065 ) 14.5 Fe 79.4 B 6.1 and the temperature dependence of the coercivity for the Nd 14.5 Fe 79.4 B 6.1 were investigated. Results show that the coercivity for magnets prepared by the combination of strip casting with hydrogen decrepitation techniques is controlled by the nucleation mechanism.展开更多
A high-Ti 6061 alloy was rolled with strains up to 0. 8 - 2. 0 and at 350 - 550 ℃ . Microstructures that developed during deformation and subsequent solution heat treatment (SHT) were observed by using optical and tr...A high-Ti 6061 alloy was rolled with strains up to 0. 8 - 2. 0 and at 350 - 550 ℃ . Microstructures that developed during deformation and subsequent solution heat treatment (SHT) were observed by using optical and transmission electron microscopy. Microstructure evolution during SHT depends mainly on the initial rolling temperature,and it was found that the higher this temperature is,the coarser the grains are. After rolling at 400 ℃ ,well-defined cells and subgrains were formed, which induced further sites for recrystallization nucleation during subsequent SHT. The recrystallization mechanism was found to be subgrain rotation,with a final grain size smaller than 200 μm. Increasing the rolling temperature to 500 ℃ results in a low density of dislocations distributed uniformly in the deformed matrix and fewer nucleation sites during subsequent SHT. The recrystallization mechanism is grain boundary bulging,while the final grain size approaches several millimeters. Finally,a hot forming process of high-Ti 6061 alloy for inhibiting grain coarsening was proposed,and verified by experiments.展开更多
Lithium metal batteries(LMBs)of an ultrahigh theoretical energy density have attracted lots of attentions for a wide range of practical applications.However,there are still numerous challenges in LMBs system,such as p...Lithium metal batteries(LMBs)of an ultrahigh theoretical energy density have attracted lots of attentions for a wide range of practical applications.However,there are still numerous challenges in LMBs system,such as poor cycling performance,complicated interfacial reactions,low Coulombic efficiency,and uncontrollable lithium dendrites.Understanding Li^+ions’nucleation mechanism is essential to tackle the uncontrolled growth of lithium dendrites.However,the nucleation behavior of Li+ions is interfered by the structural complexities of existing substrates during the reduplicative plating/stripping process and the rational mechanism of uniform nucleation of Li^+ions has not been clearly understood from the theoretical point of view.In our work,first-principles theoretical calculations are carried out to investigate the Li^+ions nucleation performance on metal-doped Cu surfaces(MDCSs)and the key descriptors that determines the properties of various MDCSs are systematically summarized.It is found that the introduction of heterogeneous doping Ag and Zn atoms will induce a gradient adsorption energy on MDCSs,and such gradient deposition sites can reduce the diffusion barriers and accelerate the diffusion rates of Li+ions dynamically.By maneuvering the Li+ions nucleation on MDCSs,a dendrite-free lithium metal anode can be achieved without the use of porous matrixes and complex synthesis process,which can be attributed to suppress the uncontrollable lithium dendrites for realizing the high-efficiency LMBs.展开更多
Monodispersed Ni nanoparticles were successfully prepared by chemical reduction with hydrazine hydrate in ethylene glycol. The effect of the amount of polyvinylpyrrolidone （PVP-K30） on the preparation of Ni nanopart...Monodispersed Ni nanoparticles were successfully prepared by chemical reduction with hydrazine hydrate in ethylene glycol. The effect of the amount of polyvinylpyrrolidone （PVP-K30） on the preparation of Ni nanoparticles was investigated. X-ray diffraction （XRD）, transmission electron microscopy （TEM）, and high resolution transmission electron microscopy （HRTEM） were employed to characterize the nickel powders. The average nickel particle size can be controlled from 103 nm to 46 ran with increasing the mass ratio of PVP to NiCl2·6H2O. The particles are spherical in shape and are not agglomerated. A possible extensive mechanism of nickel nanoparticle formation has been suggested.展开更多
The coercivity mechanism of Nd-Fe-B based magnets prepared by a new techniqueof strip casting was investigated. Different from the traditional magnets, α-Fe phases aredifficult to be found in Nd-Fe-B magnets prepared...The coercivity mechanism of Nd-Fe-B based magnets prepared by a new techniqueof strip casting was investigated. Different from the traditional magnets, α-Fe phases aredifficult to be found in Nd-Fe-B magnets prepared by strip casting. Meanwhile, the rich-Nd phasesoccur not only near the grain boundaries of main phases, but also within the main-phase grains.Investigation on the magnetizing field dependence of the coercivity for the(Nd_(0.935)Dy_(0.065))_(14.5)Fe_(79.4)B_(6.1) magnet and the temperature dependence of thecoercivity for the Nd_(14.5)Fe_(79.4)B_(6.1) magnet hav been done. Results show that coercivitiesfor strip casting magnets are controlled by the nucleation mechanism.展开更多
4H-silicon carbides deposited by diamond films have wide applications in many fields such as semiconductor heterojunction,heat sink and mechanical sealing.Nucleation plays a critical role in the deposition of the diam...4H-silicon carbides deposited by diamond films have wide applications in many fields such as semiconductor heterojunction,heat sink and mechanical sealing.Nucleation plays a critical role in the deposition of the diamond film on 4H-silicon carbides.Nevertheless,as a typical polar material,the fundamental mechanism of diamond nucleation on different faces of 4H-silicon carbides has not been fully understood yet.In this contribution,nucleation of diamond was performed on the carbon-and silicon-faces of 4H-silicon carbides in a direct current chemical vapor deposition device.The nucleation density on the carbon-face is higher by 2-3 orders of magnitude compared to the silicon-face.Transmission electron microscopy verifies that there are high density diamond nuclei on the interface between the carbon-face and the diamond film,which is different from columnar diamond growth structure on the silicon-face.Transition state theory calculation reveals that the unprecedented distinction of the nucleation density between the carbon-face and the silicon-face is attributed to different desorption rates of the absorbed hydrocarbon radicals.In addition,kinetic model simulations demonstrate that it is more difficult to form CH2(s)-CH2(s)dimers on silicon-faces than carbon-faces,resulting in much lower nucleation densities on silicon-faces.展开更多
The nucleation mechanisms of cobalt from sulfate solutions were studied by utilizing the electrochemical technique, chronoamperometry. It was found that the recorded current-time transients introduced from 1.0 mol/L C...The nucleation mechanisms of cobalt from sulfate solutions were studied by utilizing the electrochemical technique, chronoamperometry. It was found that the recorded current-time transients introduced from 1.0 mol/L CoSO4 solution were complexes with unusual shapes. All characteristic features were identified as separate process. The instantaneous or progressive nucleation with 2D or 3D growth exists during the cobalt deposition, depending on the applied potentials.展开更多
基金supported by the Natural Science Foundation of Shaanxi Province of China(No.2023-JC-QN-0466)the National Natural Science Foundation of China(Nos.52305421 and 52175363)+1 种基金the General Research Fund of Hong Kong(No.15223520)the project No.1-ZE1W from the Hong Kong Polytechnic University.
文摘Since the as-cast microstructure benefits dynamic recrystallization(DRX)nucleation,the present research is focused on the microstructure evolution associated with the dendrites and precipitates during the thermal deformation of an ingot without homogenization treatment aiming at exploring a new efficient strategy of ingot cogging for superalloys.The as-cast samples were deformed at the sub-solvus temperature,and the DRX evolution from dendritic arms(DAs)to inter-dendritic regions(IDRs)was discussed based on the observation of the fishnet-like DRX microstructures and the gradient of DRX grain size at IDRs.The difference in the precipitates at DAs and IDRs played an essential role during the deformation and DRX process,which finally resulted in very different microstructures in the two areas.A selective straininduced grain boundary bulging(SIGBB)mechanism was found to function well and dominate the DRX nucleation at DAs.The grain boundary was able to migrate and bulge to nucleate on the condition that the boundary was located at DAs and had a great difference in dislocation density between its opposite sides at the same time.As for DRX nucleation at IDRs,the particle-stimulated nucleation(PSN)mechanism played a leading role,and the progressive subgrain rotation(PSR)and geometric DRX were two important supplementary mechanisms.The dislocation accumulation around the coarse precipitates at IDR resulted in progressive orientation rotation,which would generate DRX nuclei once the maximum misorientation there was sufficient to form a high-angle boundary with the matrix.The PSR or geometric DRX functioned at the severely elongated IDRs at the later stage of deformation,depending on the thickness of the elongated IDRs.The uniform microstructure was obtained by the deformation without homogenization and the subsequent annealing treatment.The smaller strain,the lower annealing temperature,and the much shorter soaking time requested in the above process lead to a smaller risk of cracking and a lower consumption of energy during the ingot-cogging process.
基金financially supported by the National Natural Science Foundation of China for Distinguished Young Scholar(No.52025042)the Open Fund of State Key Laboratory of Advanced Metallurgy(No.KF24-12)。
文摘This study investigates the anodic dissolution and electrochemical behavior of molybdenum in a NaCl-KCl molten salt system at 1023 K.The anodic dissolution process was systematically analyzed,revealing a sequential oxidation pathway of molybdenum into high-valence ions(Mo^(6+),Mo^(5+),Mo^(4+))under vary-ing electrolysis potentials.Electrochemical Impedance Spectroscopy(EIS)demonstrated that the dissolu-tion is governed by both charge transfer and diffusion mechanisms,with reduced impedance at higher potentials facilitating molybdenum dissolution.The reduction behavior of dissolved molybdenum ions was further explored using cyclic voltammetry(CV)and square wave voltammetry(SWV),confirming a multi-step reduction process controlled by diffusion and high reversibility.Nucleation studies using chronoamperometry established that molybdenum deposition follows an instantaneous nucleation mech-anism.Morphological analysis of cathodic deposits revealed that current density significantly influences particle size,transitioning from nano-sized spherical particles to larger equiaxed crystals with increasing current density.These findings provide a comprehensive understanding of molybdenum’s electrochemical properties in molten salts,offering valuable insights for optimizing electrolysis processes and advancing molybdenum-based material production.
基金co-funded by the National Natural Science Foundation of China and Baoshan Iron & Steel Co., Ltd. (No. 50834008)
文摘The effects of strain rates on the hot working characteristics and nucleation mechanisms of dynamic recrystallization (DRX) were studied by optical microscopy and electron backscatter diffraction (EBSD) technique. Hot compression tests were conducted using a Gleeble-1500 simulator at a true strain of 0.7 in the temperature range of 1000 to 1150 °C and strain rate range of 0.01 to 10.00 s?1. It is found that the size and volume fraction of the DRX grains in hot-deformed Inconel 625 superalloy firstly decrease and then increase with increasing strain rate. Meanwhile, the nucleation mechanism of DRX is closely related to the deformation strain rate due to the deformation thermal effect. The discontinuous DRX (DDRX) with bulging of original grain boundaries is the primary nucleation mechanism of DRX, while the continuous DRX (CDRX) with progressive subgrain rotation acts as a secondary nucleation mechanism. The twinning formation can activate the nucleation of DRX. The effects of bulging of original grain boundaries and twinning formation are firstly gradually weakened and then strengthened with the increasing strain rate due to the deformation thermal effect. On the contrary, the effect of subgrain rotation is firstly gradually strengthened and then weakened with the increasing strain rate.
基金financially supported by the National Natural Science Foundation of China(No.51301085)the Doctoral Scientific Research Foundation of Nanjing Institute of Technology(No.YKJ201305)
文摘Dynamic recrystallization （DRX） mechanisms of a nickel-based corrosion-resistant alloy, G3, were investigated by hot compression tests with temperatures from 1050 to 1200 ℃ and strain rates from 0.1 to 5.0 s-1. Deformation microstructure was observed at the strain from 0.05 to 0.75 by electron backscatter diffraction （EBSD） and transmission electron microscope （TEM）. Work hardening rate curves were calculated to analyze the effect of deformation parameters on the nucleation process. Results indicate that strain-induced grain boundary migration is the principal mechanism of DRX. Large annealing twins promote nucleation by accumulating dis- locations and fragmenting into cell blocks. Continuous dynamic recrystallization is also detected to be an effective supplement mechanism, especially at low temperature and high strain rate.
文摘Phosphogypsum-based materials (PBM) were synthesized with varied phase compositions of phosphogypsum,portland cement and fly ash.Effects of fractal growth characteristics on physicochemical properties,pore structure,compressive strength,as well as the hydration behaviour and mineralogical conversion of mortars were examined by a multitechnological approach,including mercury intrusion porosimetry,rietved phase analysis,thremal analysis,calorimetry and Fourier transforminfrared spectroscopy analysis.Expermental results indicate that the specimens cured with mosite resulted in higher strength and lower porosity compared with those cured in the drying chamber.In addition,a more complicated course of the aluminate and silicate reactions during the hydration process has been published,with the hydration products mainly consisting of calcium silicate hydrate (C-S-H),portlandite,ettringite,hemicarbonate,monocarboaluminate,calcite,quartz,a mixed AFm passed with carbonate,and hydroxide.After all,the nucleation process is a reaction that can be defined as a solid,liquid and gaseous phases that goes through the four stages of materialization mixing and modification,i e,hydration of low calcium content,secondary hydration,high calcium condensation and geoplymensation,respectively.The rupture,recombination,polymerization reactions of Si-O,Ca-O,Al-O bonds contribute to the nucleation mechanism that serves as the formation of C-S-H in hydration products.
文摘Nucleation sites of α-Al grains after addition of an Al-Ti-B master alloy into pure aluminium have been investigated using EPMA. The results show that either TiAl3 or boride particales can nucleate α-Al grains. But the number of TiAl3 nucleants is reduced with the holding time prolonged and the boride-nuclei are increasing gradually. Based on these results, a new refining method, adding molten Al-Ti-B into commercially pure aluminium, which has a quicker and better refining efficiency is presented.
基金Project supported by the National Natural Science Foundation of China(52064011,52274331)Science and Technology Planning Project of Guizhou(Qian Ke He Ji Chu ZK[2021]258,Qian Ke He Chengguo[2022]089,Qian Ke He Chengguo[2021]086)。
文摘It is challenging to assess the mechanism responsible for the nucleation of inclusions in metals at high temperatures.The present work therefore systematically investigates the nucleation of cerium oxide inclusions according to classical nucleation theory and a two-step nucleation mechanism.The nucleation rates and nucleation radii of these inclusions are obtained,and the results demonstrate a considerable difference between theoretical and experimental values.On the basis of a two-step nucleation mechanism,(CeO_(2))_(n) and(Ce_(2)O_(3))_(n)(n=1-6)clusters were constructed and the thermodynamic properties of both these clusters and of cerium oxide nanoparticles were analyzed.In addition,the entropies and heat capacity changes of cerium oxides were determined using first principles calculations and are found to be consistent with literature data.The present data indicate that the cerium oxide inclusion nucleation pathway can be summarized as[Ce]+[O]→(CeO_(2))n/(Ce_(2)O_(3))_(n)→(Ce_(2)O_(3))_(n)→(Ce_(2)O_(3))_(2)→core(Ce_(2)O_(3)crystal)-shell((Ce_(2)O_(3))_(2) cluster)nanoparticles→(Ce_(2)O_(3))bulk.
基金funded by the JSPS KAKENHI Grant Numbers JP19H02543,JP20H00220,JP15H05760,and JP18H05329the National Natural Science Foundation of China(Grant No.51872132)+9 种基金supported by the National Natural Science Foundation of China(21875284 and 22075320)the National Natural Science Foundation of China(11404017)the SUSTech Presidential Postdoctoral Fellowshipfunded by the China Postdoctoral Science Fundation(2020M670156)the Technology Innovation Commission of Shenzhen(Grant No.JCYJ20190809154007586)funded by the JSPS KAKENHI Grant Numbers JP15H05760,JP18H05329funded by the Fundamental Research Funds for the Central Universities(3102019QD0418)the National Key Research and Development Program of China(No.2017YFB0702100)the Technology Foundation for Selected Overseas Chinese Scholarthe Ministry of Human Resources and Social Security of China。
文摘Lithium metal batteries(LMBs)possess outstanding theoretical energy density and have attracted widespread attention as the next generation of energy storage devices for various crucial applications.However,the commercialization of LMBs has to simultaneously overcome numerous challenges,such as inferior Coulombic efficiency and cycling performance,high self-discharge,and complicated interfacial reactions.It has traditionally been an enormous challenge about the uniform deposition of lithium on the surface of current collector to relieve the formation of lithium dendrites.In this study,a novel efficient strategy of plating uniform lithiophilic polythiophene derivatives substrates on Cu foils was developed and the nucleation mechanism of Li ions on polythiophene derivatives substrates was further explored.We first explored the interaction between polythiophene derivatives substrates and Li ions by firstprinciples calculations,and found shorter side chains of polythiophene derivatives can enhance the adsorption energy and promote the diffusion rate of Li ions.Polythiophene derivatives substrates have a large number of dispersive lipophilic sites and Li ions diffusion channels in the main chain,which can effectively regulate the nucleation and growth stages of Li ions deposition.We further found polythiophene derivatives with different side chains can induce the electrodeposition of Li ions with different morphology,while the polythiophene derivatives with the shortest side chains can contribute to the most excellent cycle efficiency,resulting in a uniform lithium deposition with less lithium dendritic growth experimentally.
基金supported by the National Key R&D Program of China(2022YFA1604100)the National Natural Science Foundation of China(22302220,22372187,1972157,21972160,22402218)+2 种基金the National Science Fund for Distinguished Young Scholars of China(22225206)the Fundamental Research Program of Shanxi Province(202203021222403)the Youth Innovation Promotion Association CAS(2020179)。
文摘Carbon nanotube formation exemplifies atomically precise self-assembly,where atomic interactions dynamically engineer nanoscale architectures with emergent properties that transcend classical material boundaries.However,elucidating the transient molecular intermediates remains a critical mechanistic frontier.This study investigates the atomic-scale nucleation process of single-walled carbon nanotubes(SWCNTs)from acetylene on iron(Fe)clusters,utilizing GFN(-x)TB-based nanoreactor molecular dynamics simulations.The simulations reveal a consistent nucleation pathway,regardless of iron cluster size(Fe_(13),Fe_(38),Fe_(55)),where the chemisorption and dissociation of acetylene molecules on the Fe clusters lead to the formation of C_(2)H and C_(2)intermediates.These species then undergo oligomerization,initiating the growth of carbon chains.As the chains cross-link and cyclize,five-membered carbon rings are preferentially formed,which eventually evolve into six-membered rings and more complex sp2-hybridized carbon networks,resembling the cap structures of nascent SWCNTs.Although the nucleation mechanism remains similar across all cluster sizes,larger clusters show enhanced catalytic activity,leading to higher molecular weight hydrocarbons and more extensive carbocyclic networks due to their higher density of active sites per reacting molecule.Crucially,the study highlights the role of C_(2)H as the key active species in the carbon network formation process.These findings offer critical insights into the initial stages of SWCNT nucleation,contributing to a deeper understanding of the mechanisms driving SWCNT growth and guiding the development of optimized synthetic strategies.
基金Project supported by the National Natural Science Foundation of China(2126016)the Science and Technology Innovation Guidance Project,Inner Mongolia,China(000-21090179)+2 种基金the Talents Project Inner Mongolia(CYYC:5026)the Opened Fund of the State Key Laboratory on integrated Optoelectronics(China IOSKL2013KF08)the Graduate Student Scientific Research Foundation of Inner Mongolia(S20161013505)
文摘Near-monodisperse NaYF4：Yb/Er nanoparticles（NPs） with controlled size, phases（α,β） and shapes（sphere, and hexagonal plate） were synthesized by adjusting the NaF to RE（RE = Y, Yb, Er） ratios, the reaction temperature and time in the hot surfactant solutions（oleic acid, 1-octadecene） from the improved one-pot thermal decomposition metal trifluoroacetate, and the precursors were prepared via hydrothermal route. The growth kinetics of β-NaYF4 NPs includes several stages： nucleation, growth of aNaYF4, Ostwald ripening, size shrinkage and growth. The results prove that the temperatures are preferred to the phase transformation compared with the NaF content when other experimental conditions are unchanged. Our work will further facilitate the comprehension of the nucleation and growth mechanisms of the NPs, and provide guidance for their controlled synthesis.
文摘In this work,highly monodispersed Pt-Ni alloy nanoparticles were directly deposited on carbon substrate through a facile electrodeposition strategy in the solvent system of N,N-dimethylformamide(DMF).A series of carbon supported Pt-Ni alloy electrocatalysts were synthesized under different applied electrode potentials.Among all as-obtained samples,the Pt-Ni/C electrocatalyst deposited at-1.73 V exhibits the optimal specific activity up to 1.850 mA cm^(-2)at 0.9 V vs.RHE,which is 6.85 times higher than that of the commercial Pt/C.Comprehensive physiochemical characterizations and computational evaluations via density functional theory were conducted to unveil the nucleation and growth mechanism of PtNi alloy formation.Compared to the aqueous solution,DMF solvent molecule must not be neglected in avoiding particle agglomeration and synthesis of monodispersed nanoparticles.During the alloy co-deposition process,Ni sites produced through the reduction of Ni(Ⅱ)precursor not only facilitates Pt-Ni alloy crystal nucleation but also in favor of further Pt reduction on the Ni-inserted Pt surface.As for the deposition potential,it adjusts the final particle size.This work provides a hopeful extended Pt-based catalyst layer production strategy for proton exchange membrane fuel cells and a new idea for the nucleation and growth mechanism exploration for electrodeposited Pt alloy.
基金Project supported by Tsinghua-Wuxi Science Foundation, China
文摘Al-3B master alloy is a kind of efficient grain refiner for hypoeutectic Al-Si alloys. Experiments were carried out to evaluate the effect of undissolved AlB2 particles in Al-3B master alloy on the grain refinement of Al-7Si. It is found that the number and the settlement of AlB2 particles in the melt all have effect on the grain refining efficiency. On the basis of experiments and theoretical analysis, a new grain refinement mechanism was proposed to explain the grain refinement action of Al-3B on hypoeutectic Al-Si alloys. The formation of ＇Al-AlB2＇ shell structure is the direct reason for grain refinement and the undissolved AlB2 particles is the indirect nucleating base for subsequent α（Al） phase.
文摘The chemical structure of polyamide 6(PA6)dictates that only 50%of hydrogen bonds participate in crystallization during the crystallization process,resulting in the properties of its products being significantly dependent on the molding process.Therefore,the design and development of nucleating agents suitable for PA6 holds great practical significance for high-performance PA6 materials.Amide-based nucleating agents can effectively improve the crystallization rate by increasing intermolecular hydrogen bond density.Further introduction of hydroxyl groups can enhance the hydrogen bonding interactions between the nucleating agent and PA6.In this study,a hydroxyl-containing amidebased nucleating agent,BHT,was designed and synthesized using a tyramine-based biomass as the raw material.These results demonstrated that BHT exhibited good structural compatibility with PA6.After adding 1 wt%BHT,the crystallization temperature of PA6 increased from 170.9℃to 193.3℃,the crystallinity increased 16.6%,the heat distortion temperature and Vicat softening temperature rose to 89.5 and 187.8℃,respectively,the haze decreased to 46%,achieving the synergistic optimization of mechanical,thermal,and optical properties.The in situ time-resolved FTIR results indicated that the addition of BHT increased the enthalpy of hydrogen bond formation during the nucleation stage,facilitated the segmental conformation adjustment of PA6,and enhanced the molar concentration of trans-conformations,ultimately leading to an improvement in the crystallization rate.
文摘The coercivity mechanism of Nd Fe B magnets prepared by combination of strip casting with hydrogen decrepitation techniques was investigated. The microstructure of (Nd 0.935 Dy 0.065 ) 14.5 Fe 79.4 B 6.1 magnet was observed. The average grain size is about 6～12 μm. The magnetizing field dependence of the hardmagnetic properties for the (Nd 0.935 Dy 0.065 ) 14.5 Fe 79.4 B 6.1 and the temperature dependence of the coercivity for the Nd 14.5 Fe 79.4 B 6.1 were investigated. Results show that the coercivity for magnets prepared by the combination of strip casting with hydrogen decrepitation techniques is controlled by the nucleation mechanism.
基金Sponsored by the Project of High-level Talent of Hebei Province (Post-Doctoral Research Project of Hebei Province)
文摘A high-Ti 6061 alloy was rolled with strains up to 0. 8 - 2. 0 and at 350 - 550 ℃ . Microstructures that developed during deformation and subsequent solution heat treatment (SHT) were observed by using optical and transmission electron microscopy. Microstructure evolution during SHT depends mainly on the initial rolling temperature,and it was found that the higher this temperature is,the coarser the grains are. After rolling at 400 ℃ ,well-defined cells and subgrains were formed, which induced further sites for recrystallization nucleation during subsequent SHT. The recrystallization mechanism was found to be subgrain rotation,with a final grain size smaller than 200 μm. Increasing the rolling temperature to 500 ℃ results in a low density of dislocations distributed uniformly in the deformed matrix and fewer nucleation sites during subsequent SHT. The recrystallization mechanism is grain boundary bulging,while the final grain size approaches several millimeters. Finally,a hot forming process of high-Ti 6061 alloy for inhibiting grain coarsening was proposed,and verified by experiments.
基金supported by the National Key Research and Development Program of China(No.2017YFB0702100)the National Natural Science Foundation of China(11404017)+2 种基金the Technology Foundation for Selected Overseas Chinese Scholar,Ministry of Human Resources and Social Security of Chinasupport by the European Regional Development Fund in the IT4Innovations national supercomputing center-Path to Exascale project,No.CZ.02.1.01/0.0/0.0/16_013/0001791 within the Operational Programme Research,Development and Educationby the Ministry of Education by the Ministry of Education,Youth,and Sport of the Czech Republic and grant No.17-27790S of the Czech Science Foundations
文摘Lithium metal batteries(LMBs)of an ultrahigh theoretical energy density have attracted lots of attentions for a wide range of practical applications.However,there are still numerous challenges in LMBs system,such as poor cycling performance,complicated interfacial reactions,low Coulombic efficiency,and uncontrollable lithium dendrites.Understanding Li^+ions’nucleation mechanism is essential to tackle the uncontrolled growth of lithium dendrites.However,the nucleation behavior of Li+ions is interfered by the structural complexities of existing substrates during the reduplicative plating/stripping process and the rational mechanism of uniform nucleation of Li^+ions has not been clearly understood from the theoretical point of view.In our work,first-principles theoretical calculations are carried out to investigate the Li^+ions nucleation performance on metal-doped Cu surfaces(MDCSs)and the key descriptors that determines the properties of various MDCSs are systematically summarized.It is found that the introduction of heterogeneous doping Ag and Zn atoms will induce a gradient adsorption energy on MDCSs,and such gradient deposition sites can reduce the diffusion barriers and accelerate the diffusion rates of Li+ions dynamically.By maneuvering the Li+ions nucleation on MDCSs,a dendrite-free lithium metal anode can be achieved without the use of porous matrixes and complex synthesis process,which can be attributed to suppress the uncontrollable lithium dendrites for realizing the high-efficiency LMBs.
文摘Monodispersed Ni nanoparticles were successfully prepared by chemical reduction with hydrazine hydrate in ethylene glycol. The effect of the amount of polyvinylpyrrolidone （PVP-K30） on the preparation of Ni nanoparticles was investigated. X-ray diffraction （XRD）, transmission electron microscopy （TEM）, and high resolution transmission electron microscopy （HRTEM） were employed to characterize the nickel powders. The average nickel particle size can be controlled from 103 nm to 46 ran with increasing the mass ratio of PVP to NiCl2·6H2O. The particles are spherical in shape and are not agglomerated. A possible extensive mechanism of nickel nanoparticle formation has been suggested.
基金This work is supported by the National Natural Science Foundation of China (No. 50271036).
文摘The coercivity mechanism of Nd-Fe-B based magnets prepared by a new techniqueof strip casting was investigated. Different from the traditional magnets, α-Fe phases aredifficult to be found in Nd-Fe-B magnets prepared by strip casting. Meanwhile, the rich-Nd phasesoccur not only near the grain boundaries of main phases, but also within the main-phase grains.Investigation on the magnetizing field dependence of the coercivity for the(Nd_(0.935)Dy_(0.065))_(14.5)Fe_(79.4)B_(6.1) magnet and the temperature dependence of thecoercivity for the Nd_(14.5)Fe_(79.4)B_(6.1) magnet hav been done. Results show that coercivitiesfor strip casting magnets are controlled by the nucleation mechanism.
基金the National Key Research and Development Project(No.2017YFE0128600)Ningbo 3315 Innovation Team(No.2019A-18-C)+9 种基金Science and Technology Innovation 2025 Major Project of Ningbo(No.2018023)National Defense Key Laboratory Fund(No.6142807180511)Innovation Funding of State Oceanic Administration(No.NBHY-2017-Z3)Ningbo Industrial Technology Innovation Project(No.2016B10038)‘13th Five-Year’Equipment Pre-research Sharing Project(No.E1710161)‘Key Talents’Senior Engineer Project of Ningbo Institute of Materials Technology and Engineeringthe financial support of CONICYT in the project Fondecyt 11180121the financial support given the VID in the framework of U-IniciaUI013/2018 and the academic direction of the University of Chilefinancial support from the Swedish Government Strategic Research Area in Materials Science on Functional Materials at Linkoping University(Faculty Grant SFO Mat LiU No.200900971)the Swedish Research Council(VR)。
文摘4H-silicon carbides deposited by diamond films have wide applications in many fields such as semiconductor heterojunction,heat sink and mechanical sealing.Nucleation plays a critical role in the deposition of the diamond film on 4H-silicon carbides.Nevertheless,as a typical polar material,the fundamental mechanism of diamond nucleation on different faces of 4H-silicon carbides has not been fully understood yet.In this contribution,nucleation of diamond was performed on the carbon-and silicon-faces of 4H-silicon carbides in a direct current chemical vapor deposition device.The nucleation density on the carbon-face is higher by 2-3 orders of magnitude compared to the silicon-face.Transmission electron microscopy verifies that there are high density diamond nuclei on the interface between the carbon-face and the diamond film,which is different from columnar diamond growth structure on the silicon-face.Transition state theory calculation reveals that the unprecedented distinction of the nucleation density between the carbon-face and the silicon-face is attributed to different desorption rates of the absorbed hydrocarbon radicals.In addition,kinetic model simulations demonstrate that it is more difficult to form CH2(s)-CH2(s)dimers on silicon-faces than carbon-faces,resulting in much lower nucleation densities on silicon-faces.
文摘The nucleation mechanisms of cobalt from sulfate solutions were studied by utilizing the electrochemical technique, chronoamperometry. It was found that the recorded current-time transients introduced from 1.0 mol/L CoSO4 solution were complexes with unusual shapes. All characteristic features were identified as separate process. The instantaneous or progressive nucleation with 2D or 3D growth exists during the cobalt deposition, depending on the applied potentials.
