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Liquid ordering induced heterogeneities in homogeneous nucleation during solidification of pure metals 被引量:1
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作者 Avik Mahata Tanmoy Mukhopadhyay Mohsen Asle Zaeem 《Journal of Materials Science & Technology》 SCIE EI CAS CSCD 2022年第11期77-89,共13页
Homogeneous crystal nucleation is prone to formation of defects and often experiences heterogeneities,the inferences of which are crucial in processing crystalline materials and controlling their physical properties. ... Homogeneous crystal nucleation is prone to formation of defects and often experiences heterogeneities,the inferences of which are crucial in processing crystalline materials and controlling their physical properties. It has been debated in literature whether the associated heterogeneities are an integral part of the homogenous nucleation. In this study by integrating a probabilistic approach with large-scale molecular dynamics simulations based on the most advanced high-temperature interatomic potentials, we attempt to address the ambiguity over the sources and mechanisms of heterogeneities in homogenous nucleation during solidification of pure melts. Different classes of structured metals are investigated for this purpose,including face-centered cubic aluminum, body-centered cubic iron, and hexagonal close-packed magnesium. The results reveal, regardless of the element type or the solidified crystal structure, that the densification process of liquid metals is accompanied by short-range orderings of atoms prior to the formation of crystals, controlling the heterogeneities during homogenous nucleation. 展开更多
关键词 homogeneous nucleation HETEROGENEITY SOLIDIFICATION METALS Molecular dynamics simulation Probability density
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Parameter identification in the bismuth homogeneous nucleation model for population balance
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作者 Cheng Shang Song He +2 位作者 Zuwei Xu Frank Einar Kruis Haibo Zhao 《Particuology》 2025年第8期117-127,共11页
A new multivariate population balance modeling for the homogenous nucleation from bismuth vapor is tested against experimental results. However, the small differences of some key parameters could lead to the ill-posed... A new multivariate population balance modeling for the homogenous nucleation from bismuth vapor is tested against experimental results. However, the small differences of some key parameters could lead to the ill-posed problem, such as the surface tension. In this study, the parameter fluctuations set according to the response surface method are employed in the population balance simulation to identify their importance. Subsequently, the quadratic polynomials are established to replace the simulation and the fluctuations are evaluated with the characteristic parameters of particle evolution. It is found that the surface tension tends to be the most significant factor determining the particle evolution, which is also influenced by the coefficient in condensation rates and fractal dimension in the coagulation. To get more accurate modeling and key parameters, the comprehensive sum of mean square error is calculated based on all the fluctuations and the appropriate value for the surface tension is 0.466 N/m. 展开更多
关键词 Population balance modeling BISMUTH homogeneous nucleation Response surface method Parameter identification
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Nucleation and Growth Kinetics of MgO in Molten Steel 被引量:2
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作者 Hong Lei Jicheng He 《Journal of Materials Science & Technology》 SCIE EI CAS CSCD 2012年第7期642-646,共5页
The size, number, morphology and type of inclusion particles are the key factors to estimate the quality of steel product. Although considerable efforts have been made in the mathematical modeling of inclusion growth,... The size, number, morphology and type of inclusion particles are the key factors to estimate the quality of steel product. Although considerable efforts have been made in the mathematical modeling of inclusion growth, few papers were involved in inclusionts nucleation and collision-growth, and all the existing researches about the behaviors of magnesia inclusion were based on the experiments. Thus, a mathematical model was developed to investigate the nucleation, Ostwald ripening and collision-growth of magnesia inclusion in the molten steel. Numerical results showed that the predicted particle size distributions are consistent with the previous experimental data. For the magnesia inclusions smaller than 100 nm, Brownian collision is the main collision modes. For the inclusions ranging from 0.1 to 10μm, Brownian collision and turbulent collision are the main collision modes. For the inclusions ranging from 10 to 100μm, turbulent collision and Stokes collision are the main collision modes. Thus, the strong turbulent flow can decrease the peak-value diameter of the magnesia inclusion effectively. 展开更多
关键词 MAGNESIA homogeneous nucleation Ostwald ripening Brownian collision Stokes collision Turbulent collision Particle size distribution
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Mechanism and application of seed-induced goethite crystal growth for iron removal from rich-zinc solution 被引量:1
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作者 ZHU Qiang YANG Jian-guang +5 位作者 NAN Tian-xiang ZENG Wei-zhi TANG Shi-yang LIU Jiang ZHANG Yan TANG Chao-bo 《Journal of Central South University》 2025年第3期837-852,共16页
The goethite residue generated from zinc hydrometallurgy is classified as hazardous solid waste,produced in large quantities,and results in significant zinc loss.The study was conducted on removing iron from FeSO_(4)-... The goethite residue generated from zinc hydrometallurgy is classified as hazardous solid waste,produced in large quantities,and results in significant zinc loss.The study was conducted on removing iron from FeSO_(4)-ZnSO_(4) solution,employing seed-induced nucleation methods.Analysis of the iron removal rate,residue structure,morphology,and elemental composition involved ICP,XRD,FT-IR,and SEM.The existing state of zinc was investigated by combining step-by-step dissolution using hydrochloric acid.Concurrently,iron removal tests were extended to industrial solutions to assess the influence of seeds and solution pH on zinc loss and residue yield.The results revealed that seed addition increased the iron removal rate by 3%,elevated the residual iron content by 6.39%,and mitigated zinc loss by 29.55%in the simulated solution.Seed-induced nucleation prevented excessive nuclei formation,fostering crystal stable growth and high crystallinity.In addition,the zinc content of surface adsorption and crystal internal embedding in the residue was determined,and the zinc distribution on the surface was dense.In contrast,the total amount of zinc within the crystal was higher.The test results in the industrial solution demonstrated that the introduction of seeds expanded the pH range for goethite formation and growth,and the zinc loss per ton of iron removed was reduced by 50.91 kg(34.12%)and the iron residue reduced by 0.17 t(8.72%). 展开更多
关键词 iron removal crystal growth homogeneous and heterogeneous nucleation goethite process zinc hydrometallurgy
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A REAL-TIME AFM STUDY ON CRYSTAL NUCLEATION AND GROWTH IN NANODROPLETS OF ISOTACTIC POLYPROPYLENE
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作者 Jun-chai Zhao Bo Xing +1 位作者 Zheng Peng Jian-min Zhang 《Chinese Journal of Polymer Science》 SCIE CAS CSCD 2013年第9期1310-1320,共11页
Isotactic polypropylene (iPP) nanodroplets were prepared by using the classical droplet method in this study. The formation of nanodroplets allowed the controlled observation of polymer nucleation as well as access ... Isotactic polypropylene (iPP) nanodroplets were prepared by using the classical droplet method in this study. The formation of nanodroplets allowed the controlled observation of polymer nucleation as well as access to crystal growth at exceptionally high supercooling in /PP. Three cases including the heterogeneous nucleation and fast crystallization in iPP droplets, the formation of multiple independent homogeneous nuclei within a single droplet and a single nucleus within a single droplet were detected by using atomic force microscopy (AFM) during gradually cooling after remelting the nanodroplets. Moreover, it is found that when the volume of droplet is larger than the value of ca. 130000 nm3, the first case was observed. Otherwise, the latter two cases appeared. The temperature at which the onset of nucleation was observed in individual droplets was found to be mainly dependent on height of the droplets when the size scale of the droplet is comparable to the size of the critical nucleus in at least one dimension, which indicates the nucleation behavior under confinement. 展开更多
关键词 Atomic force microscopy (AFM) Isotactic polypropylene (iPP) NANODROPLETS homogeneous nucleation.
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Effect of Hydrogen on Dislocation Nucleation and Motion:Nanoindentation Experiment and Discrete Dislocation Dynamics Simulation 被引量:1
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作者 Jian Wang Lv Zhao +2 位作者 Minsheng Huang Yaxin Zhu Zhenhuan Li 《Acta Mechanica Solida Sinica》 SCIE EI CSCD 2022年第1期1-14,共14页
The hydrogen effect on the nucleation and motion of dislocations in single-crystal bcc Fe with(110)surface was investigated by both nanoindentation experiments and discrete dislocation dynamics(DDD)simulation.The resu... The hydrogen effect on the nucleation and motion of dislocations in single-crystal bcc Fe with(110)surface was investigated by both nanoindentation experiments and discrete dislocation dynamics(DDD)simulation.The results of nanoindentation experiments showed that the pop-in load decreased evidently for the electrochemical hydrogen charging specimen,indicating that the dislocation nucleation strength might be reduced by hydrogen.In addition,the decrease of hardness due to hydrogen charging was also captured,implying that the dislocation motion might be promoted by hydrogen.By incorporating the effect of hydrogen on dislocation core energy,a DDD model was specifically proposed to investigate the influence of hydrogen on dislocation nucleation and motion.The results of DDD simulation revealed that under the effect of hydrogen,the dislocation nucleation strength is decreased and the motion of dislocation is promoted. 展开更多
关键词 HYDROGEN NANOINDENTATION homogeneous dislocation nucleation Discrete dislocation dynamics
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The Effect of Self-nucleation on Isothermal Crystallization Kinetics of Poly(butylene succinate)(PBS) Investigated by Differential Fast Scanning Calorimetry 被引量:6
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作者 Jing Jiang Evgeny Zhuravlev +2 位作者 Wen-bing Hu Christoph Schick 周东山 《Chinese Journal of Polymer Science》 SCIE CAS CSCD 2017年第8期1009-1019,共11页
Differential fast scanning calorimetry(DFSC) was employed on the study of self-nucleation behavior of poly(butylene succinate)(PBS).The ultra-fast cooling ability of DFSC allows investigating the effect of self-... Differential fast scanning calorimetry(DFSC) was employed on the study of self-nucleation behavior of poly(butylene succinate)(PBS).The ultra-fast cooling ability of DFSC allows investigating the effect of self-nucleation on the isothermal crystallization kinetics over a wide temperature range.Crystallization half-time,instead of crystallization peak temperature,was used to describe the self-nucleation behavior,and the self-nucleation domain for the samples crystallized at different temperatures was determined.Due to the competition between homogenous nucleation and self-nuclei,the effect of self-nucleation was less pronounced at high supercooling than that for the sample isothermally crystallized at higher temperature.An efficiency scale to judge the efficiency of nucleating agents from the crystallization half-time was also introduced in this work. 展开更多
关键词 nucleation calorimetry crystallized isothermal kinetics homogenous crystalline succinate heating melting
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Resolving Mixed Intermediate Phases in Methylammonium-Free Sn-Pb Alloyed Perovskites for High-Performance Solar Cells 被引量:3
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作者 Zhanfei Zhang Jianghu Liang +6 位作者 Jianli Wang Yiting Zheng Xueyun Wu Congcong Tian Anxin Sun Zhenhua Chen Chun-Chao Chen 《Nano-Micro Letters》 SCIE EI CAS CSCD 2022年第10期178-196,共19页
The complete elimination of methylammonium(MA)cations in Sn-Pb composites can extend their light and thermal stabilities.Unfortunately,MA-free Sn-Pb alloyed perovskite thin films suffer from wrinkled surfaces and poor... The complete elimination of methylammonium(MA)cations in Sn-Pb composites can extend their light and thermal stabilities.Unfortunately,MA-free Sn-Pb alloyed perovskite thin films suffer from wrinkled surfaces and poor crystallization,due to the coexistence of mixed intermediate phases.Here,we report an additive strategy for finely regulating the impurities in the intermediate phase of Cs_(0.25)FA_(0.75)Pb_(0.6)Sn_(0.4)I_(3)and,thereby,obtaining high-performance solar cells.We introduced d-homoserine lactone hydrochloride(D-HLH)to form hydrogen bonds and strong Pb-O/Sn-O bonds with perovskite precursors,thereby weakening the incomplete complexation effect between polar aprotic solvents(e.g.,DMSO)and organic(FAI)or inorganic(CsI,PbI_(2),and SnI_(2))components,and balancing their nucleation processes.This treatment completely transformed mixed intermediate phases into pure preformed perovskite nuclei prior to thermal anneal-ing.Besides,this D-HLH substantially inhibited the oxidation of Sn^(2+) species.This strategy generated a record efficiency of 21.61%,with a Voc of 0.88 V for an MA-free Sn-Pb device,and an efficiency of 23.82%for its tandem device.The unencapsulated devices displayed impressive thermal stability at 85℃ for 300 h and much improved continuous operation stability at MPP for 120 h. 展开更多
关键词 Intermediate phase homogeneous nucleation process MA-free tin-lead alloyed perovskite Light and thermal stability Tandem device
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Coating of SiC Powder with Nano YAG Phase 被引量:2
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作者 张宁 才庆魁 +3 位作者 茹红强 历英 邱关明 孙旭东 《Journal of Rare Earths》 SCIE EI CAS CSCD 2005年第3期299-303,共5页
SiC-YAG(Y3Al5O12) ceramic composite powders were prepared by co-precipitation coating method. Mechanism of co-precipitation coating of SiC powders with Y3+ and Al3+ precursors was investigated. If the concentration of... SiC-YAG(Y3Al5O12) ceramic composite powders were prepared by co-precipitation coating method. Mechanism of co-precipitation coating of SiC powders with Y3+ and Al3+ precursors was investigated. If the concentration of [OH-] ion in the solution is controlled within the range between critical values for heterogeneous nucleation and homogeneous nucleation, Y3+ and Al3+ precipitation precursors can be coated on the surface of SiC particles. Y3+ and Al3+ precipitation precursors transform into YAG phase after calcining at 1000 ℃ without the formation of YAM and YAP phases. The formation temperature of YAG phase is about 600 ℃ lower than that of conventional powder mixing method. The effect of pH value of the solution and precipitant titration rate on coating quality of SiC-YAG composite powders was also studied. The results show that co-precipitation coating can be realized at a final pH of 9 and a precipitant titration rate of 5 ml·min-1. 展开更多
关键词 ceramic materials CO-PRECIPITATION coating quality SiC-YAG homogeneous nucleation heterogeneous nucleation rare earths
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Integration of homogeneous and heterogeneous nucleation growth via 3D alloy framework for stable Na/K metal anode 被引量:8
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作者 Shufen Ye Lifeng Wang +2 位作者 Fanfan Liu Pengcheng Shi Yan Yu 《eScience》 2021年第1期75-82,共8页
Sodium/Potassium(Na/K)metal anodes have been considered as the promising anodes for next-generation Na/K secondary batteries owing to their ultrahigh specific capacity,low redox potential and low cost.However,their pr... Sodium/Potassium(Na/K)metal anodes have been considered as the promising anodes for next-generation Na/K secondary batteries owing to their ultrahigh specific capacity,low redox potential and low cost.However,their practical application is still hampered due to unstable solid electrolyte interphase,infinite volume change,and dendrite growth.Herein,we design a 3D-Na_(3)Bi/3D-K_(3)Bi alloy host which enables the homogeneous and heterogeneous nucleation growth of Na/K metal.The unique structure with periodic alternating of electron and ion conductivity improves the mass transfer kinetics and prevents the volume expansion during cycling.Meanwhile,the sodiophilicity of Na_(3)Bi/potassiophilicity of K_(3)Bi framework can avoid dendritic growth.Cycling lifespans over 700 h with 1 mAh cm^(−2)for 3D-Na_(3)Bi@Na electrode and about 450 h with 1 mAh cm^(−2)for 3D-K_(3)Bi@K electrode are achieved,respectively.3D-Na_(3)Bi@Na||Na_(3)V_(2)(PO_(4))3 full battery shows sustainable cycle performance over 400 cycles.This design provides a simple but effective approach for achieving safety of sodium/potassium metal anodes. 展开更多
关键词 Na/K metal anode 3D host structure homogeneous nucleation Heterogeneous nucleation Na_(3)Bi/K_(3)Bi
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Surface Snow, Firn and Ice Core Composition in Polar Areas in Relation to Atmospheric Aerosol and Gas Concentrations: Critical Aspects
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作者 Gianni Santachiara Franco Belosi +1 位作者 Alessia Nicosia Franco Prodi 《Atmospheric and Climate Sciences》 2016年第1期89-102,共14页
The paper addresses some of the problems surrounding the relation between ice core chemical signals and atmospheric chemical composition in polar areas. The topic is important as the reconstruction of past climate and... The paper addresses some of the problems surrounding the relation between ice core chemical signals and atmospheric chemical composition in polar areas. The topic is important as the reconstruction of past climate and past atmospheric chemical composition is based on the assumption that chemical concentrations in the air, snow, firn and ice core are correlated. Ice core interpretation of aerosol is more straightforward than that of reactive gases. The transfer functions of gaseous species strongly interacting with ice are complex and additional field and laboratory experiments are required. Ice core chemical signals depend on the chemical composition of precipitations, which are related to the physics of precipitation formation, the chemical composition of the atmosphere, and post-depositional processes. Published papers reporting data on the chemical composition of snow seldom consider the fact that crystal formation and growth in cloud (rimed or unrimed) or near the ground (clear-sky precipitations), hoar-frost formation and surface riming determine different chemical concentrations, even assuming constant background concentration in the atmosphere. This paper discusses the physical and chemical processes affecting the formation of precipitations in polar areas, and the process of scavenging gases from non-growing and growing crystals. Attention is mainly focused on the processes involving nitrate anion in snow, hoar frost and firn. Knowledge of the chemical relationship between surface snow and atmospheric chemical concentration could be enhanced by considering specific events, such as snow falling from cloud, clear sky precipitation, and surface hoar or riming surface, with simultaneous air sampling. In conclusion, field and laboratory experiments are still required to study the scavenging processes during crystal formation. 展开更多
关键词 homogeneous nucleation Heterogeneous nucleation Transfer Function SCAVENGING RIMING
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Unveiling the high ductility-strength mechanism induced by honeycomb dislocations and dispersed vacancies in 7A52-DCI4 aluminum alloy
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作者 Wenhui Liu Lingji Zhang +6 位作者 Fan Ye Xiao Liu Yufeng Song Weirong Li Donglei He Xiaoming Yue Jianzhao Wu 《Journal of Materials Science & Technology》 2025年第26期196-202,共7页
1.Introduction Al-Zn-Mg-Cu alloy is a typical age-hardening aluminum alloy,its strength and toughness are significantly influenced by precipita-tion behavior.The nucleation mechanisms of precipitates in this alloy are... 1.Introduction Al-Zn-Mg-Cu alloy is a typical age-hardening aluminum alloy,its strength and toughness are significantly influenced by precipita-tion behavior.The nucleation mechanisms of precipitates in this alloy are generally categorized into homogeneous and heterogeneous nucleation.Homogeneous nucleation relies on structural and energy fluctuations within the solution to generate the driving force necessary for direct nucleation. 展开更多
关键词 direct nucleation honeycomb dislocations structural energy fluctuations homogeneous heterogeneous nucleationhomogeneous nucleation heterogeneous nucleation homogeneous nucleation dispersed vacancies DCI aluminum alloy
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Aimed Synthesis of Organic Alloys and Heterostructures via Precision-Tailored Routes
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作者 Jin Feng Ze-Qi Yao +7 位作者 Mao Sun Jing Yang Chuan-Zeng Wang Shu-Hai Chen Hong-Tao Lin Ying-Zhi Cheng Qiang Lv Xue-Dong Wang 《Chinese Journal of Chemistry》 2025年第17期2104-2110,共7页
The primary objective of this study is to thoroughly explore the processes of homogeneous nucleation in alloys and heterogeneous nucleation in organic heterostructures,with the ultimate goal of gaining precise control... The primary objective of this study is to thoroughly explore the processes of homogeneous nucleation in alloys and heterogeneous nucleation in organic heterostructures,with the ultimate goal of gaining precise control over the selection between two nucleation mechanisms.By using Perylene(Pe)as the donor and isomers of tetrachlorophthalonitrile as the acceptors,alloys with continuously tunable luminescent colors were successfully synthesized in a one-step process.Additionally,using two-step synthesis,microcrystals of triblock and semi-core/shell heterostructures,composed of cocrystals and alloys,were successfully prepared.Notably,the formation of the two types of heterostructures was elucidated,emphasizing the kinetic and thermodynamic effects on the nucleation of cocrystals.Additionally,the heterostructures facilitate the construction of optical logic gates with photonic coding. 展开更多
关键词 homogeneous and heterogeneous nucleation One-step and two-step synthesis nucleation mechanisms alloys Organic heterostructures
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Experimental and Numerical Investigation of Condensation Shock in Shock Tube 被引量:1
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作者 F. Marsik P. Sopuch J. Blaha (Institute of Thermomechanics Academy of Sciences of the Czech Republic, Dolej kova 5, 182 00Prague 8, Czech Republic) 《Journal of Thermal Science》 SCIE EI CAS CSCD 1997年第3期181-184,共4页
The homogeneous nucleation with subsequent spontaneous condensation of water, pentanol, and ethanol xupors in a carrier gas are investigated experimentally and theoretically in the expansion part of a shock tube. The ... The homogeneous nucleation with subsequent spontaneous condensation of water, pentanol, and ethanol xupors in a carrier gas are investigated experimentally and theoretically in the expansion part of a shock tube. The precise pressure and Mcw measurements give additional information about the wetness, so that the nucleation and condensation rates which are closely coupled for stronger expansion rates are determined more accurately. Predictions of the principle of the minimum of entropy production are compared with experiments performed for water, ethanol and pentanol at different pressures. 展开更多
关键词 condensation shock homogeneous nucleation shock tube
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Cavitation Rates in Water with Dissolved Gas and Other Impurities
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作者 PatrikZima Franti■ekMar■ík MilanSedlá■ 《Journal of Thermal Science》 SCIE EI CAS CSCD 2003年第2期151-156,170,共7页
Our objective is a better understanding of the role of physical properties of real fluids in the thermodynamics of cavitation in impure water. An extension to the classical homogenous nucleation theory suitable for mi... Our objective is a better understanding of the role of physical properties of real fluids in the thermodynamics of cavitation in impure water. An extension to the classical homogenous nucleation theory suitable for mixtures is presented in attempt to address the discrepancy between the theoretical predictions and practical observations of cavitation rates in water at normal temperatures. The extension takes into account the non-equilibrium (dissipative) effects involved in nuclei formation through a substance dependent correction coefficient to be determined experimentally. The theory of thermodynamic fluctuations is applied to derive the work of formation of a bubble nucleus. The value of the correction coefficient is estimated using preliminary experimental data from a convergent-divergent nozzle. An application of the results to the numerical prediction of the cavitation zones in a radial-flow water pump is shown. 展开更多
关键词 CAVITATION homogeneous nucleation WATER dissolved gas impurities.
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