Nucleation of Supercooled Water by Neutrons: Latitude Dependence and Implications for Cloud Modelling

It has recently been shown that incident particles, neutrons, can initiate the freezing in a supercooled water volume. This new finding may have ramifications for the interpretation of both experimental data on the nucleation of laboratory samples of supercooled water and perhaps more importantly on the interpretation of ice nucleation involved in cloud physics. For example, if some fraction of the cloud nucleation previously attributed to dust, soot, or aerosols has been caused by cosmogenic neutrons, fresh consideration is required in the context of climate models. Moreover, as cosmogenic neutrons, most being muon-induced, have much greater flux at high latitudes, estimates of ice nucleates in these regions may be larger than required to accurately model cloud and condensation properties. This discrepancy has been pointed out in IPCC reports. Our paper discusses the connection between the new concept of neutrons nucleating supercooled water and the need for a new source of nucleation in high latitude clouds, ideally causing others to review current data, or to analyse future data with this idea in mind. .

Description of martensitic transformation kinetics in Fe-C-X(X = Ni,Cr,Mn,Si) system by a modified model

Controlling the content of athermal martensite and retained austenite is important to improving the mechanical properties of high-strength steels,but a mechanism for the accurate description of martensitic transformation during the cooling process must be addressed.At present,frequently used semi-empirical kinetics models suffer from huge errors at the beginning of transformation,and most of them fail to exhibit the sigmoidal shape characteristic of transformation curves.To describe the martensitic transformation process accurately,based on the Magee model,we introduced the changes in the nucleation activation energy of martensite with temperature,which led to the varying nucleation rates of this model during martensitic transformation.According to the calculation results,the relative error of the modified model for the martensitic transformation kinetics curves of Fe-C-X(X = Ni,Cr,Mn,Si) alloys reached 9.5% compared with those measured via the thermal expansion method.The relative error was approximately reduced by two-thirds compared with that of the Magee model.The incorporation of nucleation activation energy into the kinetics model contributes to the improvement of its precision.

Nucleation of Kinetic Ising Model Under Oscillating Field

We have studied the nucleation process of a two-dimensional kinetic Ising model subject to a bias oscillating external field, focusing on how the nucleation time depends on the oscillation frequency. It is found that the nucleation time shows a clear-cut minimum with the variation of oscillation frequency, wherein the average size of the critical nuclei is the smallest, indicating that an oscillating external field with an optimal frequency can be much more favorable to the nucleation process than a constant field. We have also investigated the effect of the initial phase of the external field, which helps to illustrate the occurrence of such an interesting finding.

Experimental determination of grain density function of AZ91/SiC composite with different mass fractions of SiC and undercoolings using heterogeneous nucleation model

The grain density,Nv,in the solid state after solidification of AZ91/SiC composite is a function of maximum undercooling,ΔT,of a liquid alloy.This type of function depends on the characteristics of heterogeneous nucleation sites and number of SiC present in the alloy.The aim of this paper was selection of parameters for the model describing the relationship between the grain density of primary phase and undercooling.This model in connection with model of crystallisation,which is based on chemical elements diffusion and grain interface kinetics,can be used to predict casting quality and its microstructure.Nucleation models have parameters,which exact values are usually not known and sometimes even their physical meaning is under discussion.Those parameters can be obtained after mathematical analysis of the experimental data.The composites with 0,1,2,3 and 4wt.% of SiC particles were prepared.The AZ91 alloy was a matrix of the composite reinforcement SiC particles.This composite was cast to prepare four different thickness plates.They were taken from the region near to the thermocouple,to analyze the undercooling for different composites and thickness plates and its influence on the grain size.The microstructure and thermal analysis gave set of values that connect mass fraction of SiC particles,and undercooling with grain size.These values were used to approximate nucleation model adjustment parameters.Obtained model can be very useful in modelling composites microstructure.

Application of the Method of Characteristics to Population Balance Models Considering Growth and Nucleation Phenomena

The population balance modeling is regarded as a universally accepted mathematical framework for dynamic simulation of various particulate processes, such as crystallization, granulation and polymerization. This article is concerned with the application of the method of characteristics (MOC) for solving population balance models describing batch crystallization process. The growth and nucleation are considered as dominant phenomena, while the breakage and aggregation are neglected. The numerical solutions of such PBEs require high order accuracy due to the occurrence of steep moving fronts and narrow peaks in the solutions. The MOC has been found to be a very effective technique for resolving sharp discontinuities. Different case studies are carried out to analyze the accuracy of proposed algorithm. For validation, the results of MOC are compared with the available analytical solutions and the results of finite volume schemes. The results of MOC were found to be in good agreement with analytical solutions and superior than those obtained by finite volume schemes.

Establishment of nucleation and growth model of silica nanostructured particles and comparison with experimental data

A mathematical model is developed for the calculation of the nucleation and growth process of silica nanostructured particles prepared by using the drop-by-drop method,and the calculation results of the proposed model is compared with the experimental value obtained from SAXS data.The model provides a non-ideal improvement in the supersaturation calculation and considers the impact of both mass transfer and surface reaction on the particle growth rate.The nucleation and growth rates are coupled depending on the change in monomer concentration over time,based on which the particle size and distribution are calculated.The growth curve of the silica particles from 3 nm to 20 nm and the change in particle number from 0 to over 10^(20) are calculated,which are consistent with the experimental values,establishing the reliability of the model.The calculations of the growth rate reveal that mass transfer controls the growth of silica particles before 10 min and the surface reaction is the rate-determining step after 10 min.The changes in the model parameters obtained by fitting with the SAXS data under different reaction conditions indicate the sensitivity of the corresponding process to different conditions.Moreover,the relationship between the particle growth rate and monomer concentration change is analyzed using the proposed model.

钢桥复杂构造疲劳裂纹跨尺度扩展与寿命预测

针对传统宏观唯像学方法无法描述钢桥疲劳损伤由微观到宏观的多尺度演化过程的问题,建立了可描述钢桥复杂构造疲劳裂纹跨尺度扩展与寿命预测方法.首先,结合微观晶体塑性本构模型,建立了以能量耗散理论为基础的微观短裂纹成核与扩展模型.同时,结合线弹性断裂力学,建立了宏观长裂纹扩展模型.在此基础上,以钢桥典型的纵肋与顶板焊接构造细节为研究对象,结合既有疲劳试验,模拟并验证了微观短裂纹的成核、扩展,以及宏观长裂纹扩展全过程.数值模拟结果与试验结果基本一致,表明所提出的疲劳裂纹跨尺度扩展与寿命预测方法对于钢桥复杂构造细节疲劳损伤演化与评估具有较好的适用性.

Finemet型非晶合金的复杂晶化动力学行为

Finemet型铁基多元合金是目前应用极广泛的纳米晶软磁材料之一。深入认识其形成过程的晶化动力学特性,对更好地调控制备工艺以获得稳定且软磁性能更优的目标纳米晶具有重要意义。为此,通过差示扫描量热仪(Differential scanning calorimeter,DSC)在不同升温速率的条件下研究了Fe_(74)Si_(14.5)B_(7.5)Nb-(3)Cu_(1)(原子分数,%)非晶的非等温晶化行为,首先利用Kissinger-Akahira-Sinose(KAS)、Flyn-Wall-Ozawa(FWO)、Starik和Boswell这几种典型的等转化率法求得Fe_(74)Si_(14.5)B_(7.5)Nb-(3)Cu_(1)合金的晶化过程激活能Eα,之后采用补偿效应法得出指前因子A,从而实现了反应模型f(α)的数值重建和Avrami指数n(α)的求解。结果表明,Fe_(74)Si_(14.5)B_(7.5)Nb-(3)Cu_(1)非晶合金的晶化仅较接近维度扩散的反应机理模型,但不完全符合现有任何理论模型,是一个涉及多个反应模型的复杂反应。晶体形核速率在晶化初期(α<0.2)由增长阶段快速达到降低阶段(n(α)=2.3),而在0.2<α<0.5时缓慢降至零(n(α)=1.5),之后在晶化末期(α>0.5),晶体在已有晶粒的基础上继续长大(n(α)<1.5),整个晶化过程为形核速率持续降低的三维生长。Fe_(74)Si_(14.5)B_(7.5)Nb-(3)Cu_(1)非晶合金的晶化是一个由三维扩散主导的多个晶化机制共同控制、多个反应模型协同参与的复杂过程。

Bubble nucleation in the two-flavor quark-meson model

We investigate the dynamics of a first-order quark-hadron transition via homogeneous thermal nucleation in the two-flavor quark-meson model.The contribution of the fermionic vacuum loop in the effective thermodynamics potential and phase diagram,together with the location of the critical endpoint(CEP),is obtained in the temperature and chemical potential plane.For weak and strong first-order phase transitions,by taking the temperature as a variable,the critical bubble profiles,evolutions of the surface tension,and saddle-point action in the presence of a nucleation bubble are numerically calculated in detail when fixing the chemical potentials atμ=306 MeV andμ=309 MeV.Our results show that the system could be trapped in the metastable state for a long time as long as the temperature is between the metastable region characterized by the up and low spinodal lines.Moreover,the surface tension at criticality will rise to approximately 4 MeV/fm2 when the chemical potential is very high.Such a small surface tension value would favor a mixed phase in the cores of compact stars and may have an important implication in astrophysics.

基于格子玻尔兹曼方法的横向交变质量力对核沸腾影响的数值分析

采用格子玻尔兹曼方法的单组份伪势模型与有限差分耦合的混合热格子玻尔兹曼模型,对在横向交变质量力作用下的单汽泡核态沸腾过程进行了研究,探讨了在不同接触角和过热度下,横向交变质量力的振幅和交变频率对汽泡脱离底壁的脱离特性的影响。结果表明,施加横向交变质量力会造成汽泡脱离直径减小,同时加速汽泡脱离底壁。其次,壁面越疏水,汽泡的脱离行为受到横向交变质量力的影响越大;壁面过热度越大,汽泡的脱离行为受到横向质量力的影响也越大。另外,在模拟工况下,当横向交变质量力的振幅大于0.01时,添加横向交变质量力会使汽泡的脱离直径与脱离周期均减小;而横向交变质量力的交变频率仅在某一频段时,使得汽泡的脱离周期减小。

Complex(Mn,X)S compounds-major sites for graphite nucleation in grey cast iron

Despite the cubic system, the ability of sulphides to nucleate graphite can be enhanced by inoculating elements which transform them in complex compounds with a better lattice matching to graphite, a low coagulation capacity, good stability and adequate interfacial energy. （Mn,X）S compounds, usually less than 5.0 μm in size, with an average 0.4-2.0 μm well defined core （nucleus）, were found to be important sites for graphite nucleation in grey irons. A three-stage model for the nucleation of graphite in grey irons is proposed： （1） Very small microinclusions based on strong deoxidizing elements （Mn, Si, Al, Ti, Zr） are formed in the melt; （2） Nucleation of complex （Mn,X）S compounds at these previously formed micro-inclusions; （3） Graphite nucleates on the sides of the （Mn,X）S compounds with lower crystallographic misfit. AI appears to have a key role in this process, as Al contributes to the formation of oxides in the first stage and favors the presence of Sr and Ca in the sulphides, in the second stage. The 0.005-0.010% Al range was found to be beneficial for lower undercooling solidification, type-A graphite formation and carbides avoidance.

Numerical Prediction for Subcooled Boiling Flow of Liquid Nitrogen in a Vertical Tube with MUSIG Model

Multiple size group （MUSIG） model combined with a threedimensional twofluid model were em ployed to predict subcooled boiling flow of liquid nitrogen in a vertical upward tube. Based on the mechanism of boiling heat transfer, some important bubble model parameters were amended to be applicable to the modeling of liquid nitrogen. The distribution of different discrete bubble classes was demonstrated numerically and the distribu tion patterns of void fraction in the wallheated tube were analyzed. It was found that the average void fraction in creases nonlinearly along the axial direction with wall heat flux and it decreases with inlet mass flow rate and sub cooled temperature. The local void fraction exhibited a Ushape distribution in the radial direction. The partition of the wall heat flux along the tube was obtained. The results showed that heat flux consumed on evaporation is the leading part of surface heat transfer at the rear region of subcooled boiling. The turning point in the pressure drop curve reflects the instability of bubbly flow. Good agreement was achieved on the local heat transfer coefficient aalnst experimental measurements, which demonstrated the accuracy of the numerical model.

3D Stochastic Modeling of Grain Structure for Aluminum Alloy Casting

A 3D stochastic modeling was carried out to simulate the dendritic grains during solidification of aluminum alloys, including time-dependent calculations for temperature field, solute redistribution in liquid, curvature of the dendritic tip, and growth anisotropy. The nucleation process was treated by continuous nucleation. A 3D simplified grain shape model was established to represent the equiaxed dendritic grain. Based on the Cellular Automaton method, a grain growth model was proposed to capture the neighbor cells of the nucleated cell. During growing, each grain continues to capture the nearest neighbor cells to form the final shape. When a neighbor cell was captured by other grains, the grain growth along this direction would be stopped. Three-dimensional calculations were performed to simulate the evolution of dendritic grain. In order to verify the modeling results, the predictions were compared with the observation on samples cast in the sand mold and the metal mold.

Aerosol Indirect Effects on Warm Clouds in the Grid-Point Atmospheric Model of IAP LASG(GAMIL)

Aerosol indirect effects on warm clouds are estimated in the Grid-point Atmospheric Model of the State Key Laboratory of Numerical Modeling for Atmospheric Sciences and Geophysical Fluid Dynamics,Institute of Atmospheric Physics(IAP LASG)(GAMIL) with a new two-moment cloud microphysics scheme using two different physically-based aerosol activation parameterizations:Abdul-Razzak and Ghan,and Nenes and Seinfeld.The annual global mean changes in shortwave cloud forcing from preindustrial times to present day(a measure of the aerosol indirect effects) estimated from these two parameterizations are remarkably similar:0.76 W m?2 with the Abdul-Razzak and Ghan parameterization,and 0.78 W m?2 with the Nenes and Seinfeld parameterization.Physically-based parameterizations can provide robust representations of aerosol effects on droplet nucleation,meaning that aerosol activation is no longer the most uncertain factor in modeling aerosol indirect effects.

Theory and Modeling of Phase Transformations under Stress in Steel

Thermodynamic prediction of the increment of the formation temperature of proeutectoid ferrite by appliedstress is nearly consistent with the wxperfimental data.Kinetics models for ferrite,pearlite and bainite transformations can be shown as modified Johnson-Mehl-Avrami equation in which parameter b() varies with the level of applied stress.The effects of tensile and compressive stresses on enhancement of the ferrite/pearlite and bainite transformations are discussed,The necessity and approach of modification of additivity hypothesis are introduced and the results from modified equation in which some parameters are obtained by rfegression of two experimental results or taken from TTT and CCT diagrams of a cerftain steel are superior than that from Scheil’s eqation.Thermodynamic calculation of Ms and nucleation kinetics equations of martensitic transformation under stress are suggested.Modeling of phase trasformations under stress in ferrous alloys is briefly

A diffusion model for solute atoms diffusing and aggregating in nuclear structural materials

In nuclear structural materials, the nuclear irradiations induce the precipitations of soluble elements or produce the insoluble elements such as He atoms that may form clusters, heavily shortening the service life-times of the materials. In the present work, a diffusion model is developed to predict where and how fast the solute atoms （either soluble or insoluble） aggregate, and this model is applied to the study of the formation and growth of He bubbles in metal tritides （PdT0.6, ErT2, NbT0.0225, VT0.5, TaT0.097, TiT1.5, ZrT1.6） within one thousand days. The results are in good agreement with the available experimental observations and suggest that searching for metals with a barrier of more than 1.1 eV for a single He atom diffusion and making more defects in metal tritides can significantly reduce the growth of He bubbles and extend the service time of the metals.

Mechanical model of precursory source proces for strong earthquakes in western Yun－nanarea——conceptandnumericalsimula┐tion

The strong earthquakes in western Yunnan area, mainly occur along great interplate strike slip faults and have a dominant depth layer about 10～20 km; the seismic rupture is characterized by strike slip rupture. Considering the Yunnan lithospheric structure and dynamic background, we think that earthquakes occurring at this area might have such a kind of nucleation process: because of the multi layers and heterogeneities of lithospheric structure, a zone of concentrated shear strain or of slip might be formed at the moderate or deep portions of lithosphere, and spread upward along faulting boundary, toward the earths surface under the background field of tectonic movement of lithospheric plates. The slip front will encounter the maximum shear resistance zone on the fault surface in this process, be barried and blocked, and form a seismic gap. With the increase of tectonic load, this slip zone will continuously spread forward, traverse and lead to instable crack of the whole blocked zone, and cause a great earthquake. We have derived an approximate integral equation describing this seismic process; the numerical results show that the model has an instable nonlinear accelerating evolution period which might have important significance for the generation of earthquake precursors.

Crystallization Kinetics of Batch Spontaneous Nucleation of Potassium Nitrate

The batch cooling crystallization initiated from spontaneous nucleation for aqueous solution of potassium nitrate was studied. The concentration and transmittance data were acquired on line throughout the operation.Based on solute mass transfer in both liquid and solid phases, a kinetic model was deduced by assuming that the late period of primary nucleation resembles the initial period of the secondary nucleation. Nucleation and crystal growth stages were identified. Kinetic parameters were estimated piecewise from online experimental data and compared with those in literature. The estimated kinetic parameters for stages without apparent primary nucleation agreed well with those in literature. Further, a simulated concentration curve was also drawn from the estimated kinetic parameters and it matched well with that in experiment.

利用溶质-溶剂模型预测晶体成核的难易

成核作为结晶的初始阶段,直接影响着晶体产品的结构、手性、纯度、晶型和粒径分布等性质。但由于成核具有随机性,通过实验成核不仅耗时耗力而且很难洞悉分子间的相互作用。本文选择结构相似的对羟基苯甲酸乙酯(EP)、对羟基苯甲酸丙酯(PP)和对羟基苯甲酸丁酯(BP)为模型物质,计算了EP、PP和BP在四种不同的有机溶剂(乙醇、乙酸乙酯、丙酮、乙腈)中单个溶质分子和单个溶剂分子的结合能。不论是EP、PP还是BP与各溶剂的相互作用大小都服从乙醇>乙酸乙酯>丙酮>乙腈。因此,可以预测EP、PP和BP在乙醇中成核最慢,在乙酸乙酯和丙酮中成核较慢,在乙腈中成核最快。当溶剂相同的时候,EP最难成核,其次是PP,BP容易成核,预测的结果与实验结果一致。本研究证明利用溶质-溶剂(1∶1)模型可以预测成核的难易,进而有利于筛选溶剂,提高实验效率。