Ni-15%Mo合金熔体热物理性质的Monte Carlo模拟

采用EAM势对6×6×6的Ni-15%Mo合金熔体进行Monte Carlo模拟,通过对不同温度下获得的NVT系统的平衡态统计分析得出Ni-15%Mo合金熔体在过冷态和过热态时的热物理性质.通过构造系统生成新表面,表面张力做功使系统能量发生改变,从而得到液态表面张力的模拟结果.Ni-15%Mo合金熔体的表面张力在1500—2000 K的温度范围内,随温度的变化规律为σ=1.918-1.130×10^-3（T-T_m） N/m 关键词： Monte Carlo模拟 表面张力 比热 Ni-15%Mo合金     

液态三元Ni-Cu-Fe合金比热的实验与计算研究

采用电磁悬浮落滴式量热方法测定了液态三元Ni₆₀Cu₂₀Fe₂₀合金在1436—2008K温度范围内的比热,实验获得的最大过冷度达232K(0.14T_L),结果表明比热值为33.27J·mol^-1·K^-1,并且随温度变化很小.在实验基础上,根据分子动力学方法结合嵌入原子势(EAM)和Quantum Sutton-Chen多体势(QSC)对比热进行了理论计算,揭示 关键词： 液态合金 比热 电磁悬浮 分子动力学计算     

深过冷三元Ni-Cu-Co合金的快速枝晶生长

研究了深过冷条件下三元Ni₈₀Cu₁₀Co₁₀合金的快速枝晶生长, 采用电磁悬浮无容器处理方法获得了335 K(0.2T_L)的最大过冷度. X射线衍射分析与差示扫描量热分析均表明,凝固组织为α-Ni单相固溶体. 随过冷度增大, 凝固组织显著细化, 并且当过冷度达110 K时，凝固组织的形态由粗大形枝晶转变为等轴晶. 深过冷条件下溶质截留效应增强, 使得微观偏析程度减小. 对不同过冷度下合金枝晶的生长速度进 关键词： 深过冷 枝晶生长 快速凝固 溶质截留     

三元(Co_(0.5)Cu_(0.5))_(100-x)Sn_x合金的热物理性质与液固相变机理

本文系统研究了三元(Co_(0.5)Cu_(0.5))_(100-x)Sn_x(x=10,20,30,40,50 at%)合金的热物理性质及其在近平衡条件下的微观凝固组织特征.采用差示扫描量热法(DSC)确定了合金的液相限、固相限温度和熔化潜热,并建立了它们与合金成分之间的函数关系.实验发现,Sn元素的引入提高了液态三元(Co_(0.5)Cu_(0.5))_(100-x)Sn_x合金的过冷能力,当Sn含量为50 at%时,合金的过冷度达到最大值68 K.基于DSC曲线和微观组织形态确定了近平衡条件下合金的液固相变过程和室温下的相组成,发现当Sn含量低于30 at%时,初生相为(Co)相,而当Sn含量超过30 at%时,Co3Sn2相成为领先形核相.在293—473 K温度范围内,实验测定了固态三元(Co_(0.5)Cu_(0.5))_(100-x)Sn_x合金的热扩散系数和比热.结合所测定的固态合金密度,导出了三元(Co_(0.5)Cu_(0.5))_(100-x)Sn_x合金在室温293 K下的热导率,发现其随Sn含量的增加呈现先增大后减小的变化规律.     

深过冷Cu60Sn30Pb10偏晶合金的快速凝固

实现了大体积Cu₆₀Sn₃₀Pb₁₀偏晶合金的深过冷与快速凝固. 实验获得的最大过冷度为173 K(0.17T_L). 凝固组织发生了明显的宏观偏析,XRD分析表明,试样上部是由固溶体(Sn),(Pb)相和金属间化合物ε(Cu₃Sn)相组成的三相区,下部为富(Pb)相区. 在小过冷条件下,三相区中ε(Cu₃Sn)相的凝固组织为粗大的枝晶,随着过冷度的增大,ε(Cu₃Sn)相细化成层片状组织,且层片间距随过冷度的增大而减小,而(Sn),(Pb)两相始终以离异共晶的方式存在. 富(Pb)相区中分布有少量的ε(Cu₃Sn)枝晶,枝晶长度随过冷度的增大而增大,且在大过冷条件下发生碎断. (Sn)相在ε(Cu₃Sn)相表面形核、长大,其形态类似于包晶凝固组织. 关键词： 深过冷 快速凝固 偏晶合金 层片组织     

Li2O-2B2O3熔体的物性研究

系统测量了四硼酸锂(Li₂Ｏ-２Ｂ_２Ｏ_３)熔体的密度ρ、表面张力γ随着温度的变化规律，实验结果表明在1100K到1500K范围内Li₂Ｏ-２Ｂ_２Ｏ_３高温熔体的密度和表面张力随着温度的升高均线性减小.通过实验数据拟合得出熔体密度与温度关系为ρ(T)=2.574—4.89×１０^－４T，熔点处Li₂Ｏ-２Ｂ_２Ｏ关键词： 功能晶体 四硼酸锂 密度 表面张力     

基于成分连续变化计算黏度的合金系临界冷速模型

在大块非晶临界冷却速率的非等温转变计算模型基础上提出了基于成分连续变化计算黏度的合金系临界冷速模型. 依据此模型对Zr-Ni-Al-Cu四元合金的临界冷却速率进行了计算并预测了Zr_66.67(Ni_{xAlyCuz)33.33合金系中容易形成非晶的成分范围. 计算值与实验值符合得较好. 计算结果表明，此合金系具有很强的非晶形成能力，特别是在靠近共晶点的中心区域，临界冷却速率小于100 K/s，为容易形成非晶的成分范围. 冷却过程中，在高于1000K温度区间，没有发生明显的结晶现象，而在980 K至870 K温度范围内，结晶分数快速增大，低于870 K时不再发生明显改变. 此外，分析了合金系中Al，Cu，Ni原子摩尔分数的变化对临界冷速的影响. 关键词： 大块非晶 黏度 临界冷却速率 非晶形成能力}     

表面光散射法正十六烷高温热物理性质研究

为拓展高温下流体黏度和表面张力的测量,改进了原有的表面光散射实验系统,将实验的温度区间拓展至570 K,改进后的系统在整个温区内测量黏度和表面张力的扩展不确定度分别为2％和1％(k = 2).利用新的实验系统研究了正十六烷在353～547 K温度范围内的黏度和表面张力,并利用实验数据分别拟合了温度倒数多项式和van d...     

液态五元Zr57Cu20Al10Ni8Ti5合金的微观结构演变与非晶形成机制

利用电磁悬浮无容器处理技术实现了液态五元Zr₅₇Cu₂₀Al₁₀Ni₈Ti₅合金的深过冷与快速凝固,同时通过分子动力学模拟计算揭示了非晶形成的微观机制.实验发现,凝固组织具有明显的核-壳结构特征,核区为非晶相,壳区主要由ZrCu, Zr₂Cu和Zr₈Cu₅晶体相组成.非晶体积分数随合金过冷度的升高逐渐增大,当达到实验最大过冷度300 K (0.26T_L)时,非晶体积分数增至81.3%.由此导出完全非晶凝固所需临界过冷度为334 K. TEM分析显示,过冷度增大并接近临界过冷度时,合金凝固组织中晶体相主要为Zr₈Cu₅相,而ZrCu和Zr₂Cu相的生长被抑制.在达到临界过冷度后,过冷液相的凝固路径由Zr₈Cu₅结晶生长转变为非晶凝固.此外,合金的晶体壳中存在少量的晶间非晶相,而非晶核中...     

深过冷Ag-Cu-Ge三元共晶合金的相组成与凝固特征

在Ag_38.5Cu_33.4Ge_28.1三元共晶合金的深过冷实验中，获得的最大过冷度为175 K(0.22T_E). XRD分析表明，不同过冷条件下其共晶组织均由(Ag),(Ge)和η(Cu₃Ge)三相组成. 在小过冷条件下，三个共晶相协同生长，凝固组织粗大.随着过冷度的增大，共晶组织明显细化，(Ge)相与其他两相分离，以初生相方式生长，而(Ag)相与η相始终呈二相层片共晶方式共生生长. 当过冷度超过80 K时，初生相(Ge)由小过冷时的块状转变为具有小面相特征的枝晶方式生长. 部分小面相(Ge)枝晶出现规则的花状，花瓣数介于5—8之间，并且过冷度越大(Ge)相越容易分瓣. 花状(Ge)枝晶的晶体表面为{111}晶面簇，择优生长方向为〈100〉晶向族. 关键词： 三元共晶 晶体形核 深过冷 快速凝固     

Thermophysical properties of Ni-5%Sn alloy melt

The surface tension and specific heat of Ni-5%Sn alloy melt were measured by the oscillating drop method and the drop calorimetric method using electromagnetic levitation, respectively. The temperature coefficient of surface tension is 6.43×10⁻⁴ N·m⁻¹K⁻¹ within the temperature regime of 1464–1931 K. The enthalpy change was measured in the temperature range from 1461 to 1986 K, and the average specific heat was obtained as 43.03 J·mol⁻¹K⁻¹. Some other thermophysical properties, such as viscosity, solute diffusion coefficient, density, thermal diffusivity and thermal conductivity of this alloy melt, were derived based on the experimentally measured surface tension and specific heat. Using these thermophysical parameters, the relation between solute trapping and undercooling in rapidly solidified α-Ni was calculated, and the theoretical prediction shows a good agreement with experimental data.     

RAPID DENDRITIC GROWTH INVESTIGATED WITH ARTIFICIAL NEURAL NETWORK METHOD

Rapid dendritic growth of γ-(Ni, Fe) phase, β-CoSb intermetallic compound and α-Fe phase was realized by undercooling Ni-10%Fe single phase alloy, Co-60.5%Sb intermetallic alloy and Fe-40%Sn hypomonotectic alloy to a substantial extent. Their experimentally measured dendrite growth velocities were 79.5m/s, 12m/s and 0.705m/s, corresponding to undercooling levels of 303K(0.18T_L), 168K(0.11 T_L) and 219K(0.15 T_L) respectively. Since the usual dendrite growth theory deviates significantly from reality at great undercoolings, an artificial neural network incorporated with stochastic fuzzy control was developed to explore rapid dendrite growth kinetics. It leads to the reasonable prediction that dendritic growth always exhibits a maximum velocity at a certain undercooling, beyond which dendrite growth slows down as undercooling increases still further. In the case of Fe-Sn monotectic alloys, α-Fe dendrite growth velocity was found to depend mainly on undercooling rather than alloy composition.     

Surface Thermodynamics,Viscosity, Activation Energy of N-Methyldiethanolamine Aqueous Solutions Promoted by Tetramethylammonium Arginate

The surface tension and viscosity values of N-methyldiethanolamine (MDEA) aqueous solutions promoted by tetramethylammonium arginate ([N₁₁₁₁][Arg]) were measured and modeled. The experimental temperatures were 303.2 to 323.2 K. The mass fractions of MDEA (w_MDEA) and [N₁₁₁₁][Arg] (w_[N1111][Arg]) were 0.300 to 0.500 and 0.025 to 0.075, respectively. The measured surface tension and viscosity values were satisfactorily fitted to thermodynamic models. With the aid of experimentally viscosity data, the activation energy (Ea) and H₂S diffusion coefficient (D_H2S) of MDEA-[N₁₁₁₁][Arg] aqueous solution were deduced. The surface entropy and surface enthalpy of the solutions were calculated using the fitted model of the surface tension. The quantitative relationship between the calculated values (surface tension, surface entropy, surface enthalpy, viscosity, activation energy, and H₂S diffusion coefficient) and the operation conditions (mass fraction and temperature) was demonstrated.     

Surface layer self diffusion in icosahedral Al-Pd-Mn quasicrystals

The self diffusion of Mn and Pd in a single grain icosahedral Al_69.9Pd_20.5Mn_9.6 quasicrystal has been determined by low energy ion scattering (LEIS). The diffusion was determined by depositing different elements (Pd, Mn) on the surface and measuring the rate of change in surface composition as a function of temperature by LEIS. The surface composition was monitored over the temperature range of 355-575 K for Mn and 440-745 K for Pd and compared to model calculations to allow the activation energy for diffusion to be determined. Activation energies of 0.20 ± 0.01 eV for Mn and 0.64 ± 0.03 eV for Pd have then been measured for self diffusion in i-Al-Pd-Mn, respectively. No deviation from Arrhenius behavior was detected in the temperature range covered by the present experiments. From the low values of activation energy we propose that this range of diffusion is phason related, reflecting the specific nature of the icosahedral structure.     

Tests of surface segregation theory: I. The Ni-5Pt alloy

The surface composition of polycrystalline samples of the binary metallic alloy Ni-5Pt (at%) has been studied as a function of temperature. This alloy is of particular interest as it lies in a relatively unexplored quadrant of a plot of binary alloy surface tension ratios versus atomic size ratios. Such plots have been used to predict which component of a binary alloy will surface segregate and solute (Pt) segregation is anticipated in the present case. Mechanically polished specimens were purged of bulk impurities by prolonged heating and exposure to oxygen. Quantitative Auger data, collected from clean equilibrated surfaces after rapid cooling from elevated temperatures in the range 1050 to 1540 K, showed Pt surface enrichment compared to the bulk composition. The surface composition was temperature dependent with a heat of segregation in the range −10 to −30 kJ mol⁻¹. The expected heat of segregation for this alloy was calculated by assuming that segregation was driven solely by the lowering of surface free energy and the relief of bulk lattice strain. If the strain term is neglected, Ni surface enrichement is predicted but, when both terms are included, Pt enrichment with a heat of segregation of −14 kJ mol⁻¹ is predicted for the Ni-5Pt(100) surface. This value lies within the limits of the experimental data for polycrystalline Ni-5Pt surfaces and it is concluded that the simple theory adequately accounts for the main segregation mechanisms in this type of alloy.     

铜镍合金的表面张力温度系数的蒙特卡罗模拟

本文采用面心立方体结构合金的嵌入原子模型和蒙特卡罗方法,通过计算平衡液态合金体系的内聚功求得铜镍合金的表面张力温度系数,并对模拟方法和结果进行了分析和探讨,给出了三种组分条件下的铜镍合金的表面张力与温度的关系。     

Liquid State Undercoolability and Crystal Growth Kinetics of Ternary Ni-Cu-Sn Alloys

The Liquid state undercoolability and crystal growth kinetics of ternary Ni-5%Cu-5%Sn and Ni-10%Cu-10%Sn alloys are investigated by the glass fluxing method.In these two alloys,experimental maximum undercoolings of 304K(0.18T_L) and 286K(0.17T_L) are achieved and the dendritic growth velocities attain 39.8 and 25.1m/s,respectively.The transition of morphology from coarse dendrite into equiaxed structure occurs and the grain size of the a(Ni) phase decreases remarkably when the undercooling increases.Both the lattice constant and microhardness increase obviously with the enhancement of undercooling.The enrichment of Cu and Sn solute contents reduces the dendritic growth velocity,while enhances the lattice constant and microhardness of a(Ni)phase.     

Model calculation of the surface tension of liquid Ga-Bi alloy

A convenient model, based on some assumptions, for calculating the composition and temperature dependence of the surface tension of binary liquid alloys is reported. The theoretical calculations of the surface tension of gallium-rich-bismuth alloys are presented. The calculated results are compared with the reported experimental data. A relatively good agreement with experimental behavior of the composition dependence of the surface tension was found, but a disagreement was observed with experimental temperature behavior of the surface tension of these alloys. The calculations were conducted in the temperature range from almost 320 K to about 800 K. The surface tension was calculated from eutectic composition (x_Bi = 0.0022) to x_Bi = 0.1, and worked out by linear equations. The model calculation and analysis indicate a first order surface phase transition in this system, which is in accord with experimental findings. For this system, γ decreases linearly with increasing temperature at fixed Bi mole fraction x_Bi, and thus, suggesting a positive surface excess entropy. It is also found that the surface tension isotherms show the linear dependence on the concentration, in the logarithm scale of x_Bi, in the very narrow concentration range.     

Hysteresis and γ-recoil effects in the superconducting compounds HfxZr1−xV2

The anisotropy of the 133–182 keV γ-γ cascade in¹⁸¹Ta measured as a function of temperature between 70K and 298K shows lattice instability, the phenomenon of hysteresis in the vicinity of the lattice transformation temperature (T_L) and a temperature dependent electric field gradient (EFG) at the cubic Hf sites in the superconducting cubic Laves phase (C15) compounds Hf_1?xZr_xV₂ (x=0.0, 0.25 and 0.75). These observations are qualitatively understood by assuming the presence of γ-recoil effects and microdomains fluctuating between the high temperature (T>T_L) and the low temperature (T < T_L) phases of these compounds.