Zn-Mg合金的长程Finnis-Sinclair势

通过拟合Mg的晶格能、晶格常数、弹性常数,并将其与前人的结果相比较后获得了描述Mg的最优长程Finnis-Sinclair(F-S)势函数参数,使用同样方法并引入修正因子后得到了Zn的长程F-S势参数.基于单质Zn,Mg的F-S势参数,进一步拟合合金Mg₂₁Zn₂₅,MgZn₂,Mg₂Zn₁₁的晶格常数、晶格能获得Zn-Mg原子对的F-S势参数,构建了整套描述Zn-Mg合金的长程F-S势参数.在此 关键词： 长程Finnis-Sinclair势 Zn-Mg合金 分子动力学模拟     

摩擦点火Ti-V-Cr阻燃钛合金燃烧产物的组织特征

采用摩擦氧浓度实验方法, 结合原位观察、扫描电镜、能谱仪和X-射线衍射分析, 系统研究Ti-V-Cr 阻燃钛合金燃烧产物的微观组织形貌、燃烧反应过程的合金元素分布规律及微观机理. 结果表明: Ti-V-Cr 阻燃钛合金燃烧过程发出闪亮耀眼的白光, 具有典型金属燃烧的火焰特征. 燃烧产物主要有TiO₂, V₂O₅和Cr₂O₃三种氧化物, 该混合氧化物以分散颗粒和致密连续体存在. 分散颗粒为规则的球形; 致密连续燃烧产物的微观组织具有分区特征, 从合金基体至燃烧表面依次为过渡区、热影响区、熔凝区和燃烧区. 其中, 过渡区存在一些微小的颗粒状凸起, 且有一定方向性; 热影响区中形成大量V基固溶体相和少量的Ti基固溶体相, V基固溶体相上存在Ti的含量远高于基体的针状析出物; 熔凝区中, 大量的Ti基固溶体中存在少量的V基固溶体; 燃烧区主要为Ti, V和Cr的氧化物混合物. 热影响区的V基固溶体相降低了Ti元素向熔凝区的迁移速率, 减慢了燃烧区Ti与O的优先反应; 燃烧区形成的TiO₂, V₂O₅和Cr₂O₃混合氧化物和熔凝区O在Ti中大量固溶共同终止了O向合金基体的继续扩散, 从而使Ti-V-Cr阻燃钛合金表现出优异的阻燃功能性.     

Clusters,metastability, and nucleation: Kinetics of first-order phase transitions

We describe and interpret computer simulations of the time evolution of a binary alloy on a cubic lattice, with nearest neighbor interactions favoring like pairs of atoms. Initially the atoms are arranged at random; the time evolution proceeds by random interchanges of nearest neighbor pairs, using probabilities compatible with the equilibrium Gibbs distribution at temperatureT. For temperatures 0.59T_c, 0.81 T_c, and 0.89T _c, with density of A atoms equal to that in the B-rich phase at coexistence, the density C₁ of clusters ofl A atoms approximately satisfies the following empirical formulas: C₁ w(1 –)³ andC ₁, (1 –)⁴Q₁w¹ (2 l 10). Herew is a parameter and we defineQ _l = _K e ^–E(K) , where the sum goes over all translationally nonequivalentl-particle clusters andE(K) is the energy of formation of the clusterK. Forl > 10,Q ₁ is not known exactly; so we use an extrapolation formulaQ _l Aw _s ^–l l ^– exp(–bl ), wherew _s is the value ofw at coexistence. The same formula (withw > w _s) also fits the observed values of C, (for small values ofl) at densities greater than the coexistence density (forT=0.59T_c): When the supersaturation is small, the simulations show apparently metastable states, a theoretical estimate of whose lifetime is compatible with the observations. For higher supersaturation the system is observed to undergo a slow process of segregation into two coexisting phases (andw therefore changes slowly with time). These results may be interpreted as a more quantitative formulation (and confirmation) of ideas used in standard nucleation theory. No evidence for a spinodal transition is found.Supported by AFOSR Grant No. 73-2430D and by ERDA Contract No. EY-76-C-02-3077*000.     

室温下压致铁钴镍合金的bcc→hcp相变

 本文采用高压X光衍射方法在金刚石对顶压砧中在位地（in situ）研究了Fe₆₈Co₂₄Ni₈（wt%）合金在室温下的压致bcc→hcp结构相变和直到40.5 GPa的等温压缩行为。实验结果表明该合金在常压下为bcc结构，晶格常数a₀=(0.287 0±0.000 1) nm，体积V₀=(7.119±0.007) cm³/mol，密度ρ₀=(7.981±0.008) g/cm³；在20.9 GPa附近出现bcc→hcp结构相变，两相共存压力区约10 GPa，在此区域内有晶面间距d(002)_hcp=d(110)_bcc，且原子平面(002)_hcp//(110)_bcc，hcp相比bcc相体积减小(0.33±0.02) cm³/mol；高压相hcp结构的晶格参数比值c/a=1.608±0.004；相变后原子配位数的增加使得hcp相(002)平面内及(002)平面间的最近邻原子间距比bcc相最近邻原子间距分别增大约1.6%和0.5%；用Murnaghan状态方程对实验数据进行最小二乘法拟合，得到bcc相B₀=(130±13) GPa，B₀'=12.6±0.5；hcp相V₀=(6.62±0.04) cm³/mol，B₀=(243±21) GPa，B₀'=6.8±0.3；对于该合金的bcc→fcp相变时的结构转变机制做了详细的讨论。     

A study on anomalous yield drop behaviour in modified beta titanium alloys

ABSTRACT

The yield drop phenomenon observed in the Ti–15V-3Al–3Sn-3Cr (Ti–15–3) beta-titanium alloy and its anomalous behaviour in the boron and carbon added Ti–15–3 alloys have been studied. While the base and the carbon containing alloys exhibit yield drop, the boron containing alloy with smaller grain size than base alloy does not appear to show this phenomenon. Tensile tests were interrupted at different stress levels followed by analyses of slip lines and sub-structural characteristics using scanning and transmission electron microscopes to understand this anomalous yield point phenomenon. Infrared thermal imaging technique was used to map the strain localisation and the spatiotemporal evolution of deformation along the gauge length of the specimens during the tensile tests. Deformation in these alloys initiates only in a few grains. Pile-up of dislocations in these grains subsequently triggers the formation of dislocations in other grains and their rapid multiplications. The spreading of deformation by the generation of dislocations from pile up dislocations in one grain to neighbouring un-deformed grains and their rapid multiplication to new regions influence the yield drop phenomenon and its characteristics. It is shown in this study that microscopic instability in the grain level is a necessary, but not the sufficient condition for the manifestation of macroscopic instability during tensile deformation in polycrystalline materials. The presence of boride particles at grain boundaries restricts the slip transfer across the grains as well as the spreading of deformation to new regions, which causes the suppression of yield drop in the boron containing alloy.     

Formation of low-temperature deformation-induced segregations of nickel in Fe–Ni-based austenitic alloys

ABSTRACT

The authors present the results of an investigation in Fe–Ni-Cr austenitic alloys of the low-temperature deformation-induced segregations of nickel that form in the micro regions being (i) located close to grain- and subgrain boundaries and (ii) characteristic of the concentration and magnetic inhomogeneities indicated by the appearance of a dark diffraction contrast at the electron diffraction patterns taken from these regions typical (at the same time) of an enhanced value of Curie temperature. The observed effects were connected with the micro distortions caused by the local change of lattice parameter because of an increase in nickel concentration, as well as in the result of a magnetostriction dilatation. Using methods of the X-ray energy dispersive spectroscopy (XEDS) and atomic-probe body-section radiography (tomography – APT) has made it possible to determine the borders of those regions of austenite that were characteristic of an enhanced concentration of nickel in the fields of the localisation of a deformation-induced segregation of nickel in the vicinity of grain (subgrain) boundaries of austenitic alloys of the types Fe–13Cr–30Ni and Fe–37Ni–3Ti.     

Effects on the evolution of microstructure and properties of low-silicon cast aluminum alloys in service

ABSTRACT

The microstructure evolution and property change of four kinds of low silicon cast aluminum alloy exposed to heat for 0–50?h at 200°C were studied by means of Brinell hardness test, tensile property test, friction and wear property test and XRD analysis. The results show that with increasing thermal exposure time, the tensile strength of each group of samples decreased and the amount of wear increased. The tensile strength of samples with more Si content decreased slowly. When the time increased to 50?h, the increase of wear loss was the largest. The hardness of samples after thermal exposure increases compared with that before thermal exposure. The residual stress of (311) diffraction crystal surface of AlSi3.5Mg0.66 under different thermal exposure time was measured. The type of residual stress changed from residual tensile stress to residual compressive stress after thermal exposure. There is an abnormal phenomenon that the hardness of the sample increased and the amount of wear increased, and it is evident that the distribution of residual stress was inhomogeneous after thermal exposure. It is found that with increasing thermal exposure time to 50?h, the average lattice distortion ε of the low-index crystal plane and the high-index crystal plane in the aluminum alloys gradually increased.     

FeCoCrCuNi高熵合金裂纹及孔洞结构力学与微观构象演化机理的分子动力学模拟研究

本文采用分子动力学方法研究了FeCoCrCuNi高熵合金裂纹及孔洞模型结构在不同轴向拉伸应变速率下的力学与微观结构演化机理. 结果表明：应变速率越高FeCoCrCuNi裂纹结构对应更高的过冲应变和过冲应力,其主要原因是高拉伸速率会导致高强度的BCC结构及孪晶结构的生成,而BCC结构及孪晶结构的产生进而会抑制应力的下降,通过应力-应变曲线,可知FeCoCrCuNi裂纹模型在轴向应力作用下表现为塑性形变. 对于不同尺寸的孔洞FeCoCrCuNi裂纹模型的应力模拟与结构分析,可以得出：孔洞尺寸越大, FeCoCrCuNi裂纹结构对应的过冲应变和过冲应力越小,其主要原因是大尺寸的孔洞造成孔洞之间产生裂纹的,进而会影响这个材料的屈服应变和屈服强度.     

非晶态Fe40Ni38Mo4B18（2826MB）合金粉末的高压压结与磁性研究

 本文研究了非晶态软磁材料Fe₄₀Ni₃₈Mo₄B₁₈（2826MB）合金粉末在高压下加温压结成三维大尺寸产品的可行性，并通过压结样品的复数导磁率在弱交变磁场中的行为，探讨了压结条件对压结样品的软磁性能的影响。结果表明，在本实验所采用的压力范围内，压结温度对压结样品的性能的影响大于压结压力的影响。     

快凝Pd82Si18合金原子团簇的演化特性及遗传机制

采用分子动力学(MD)模拟计算,对Pd82Si18合金快凝过程中基本原子团簇的遗传特性、演化趋势和结构稳定性进行了研究.团簇类型指数法(CTIM)分析表明:非晶固体中Si原子为中心的(102/14418/1551)双帽阿基米德反棱柱(BSAP)团簇数目占据优势.快凝过程中,BSAP结构团簇具有最大的遗传分数,并且其他以Si原子为中心的Kasper团簇大多都会向BSAP结构团簇转变.通过对Si原子为中心的Kasper基本团簇电子性质第一性原理计算发现,体系中BSAP团簇的结合能最低,结构稳定性较高,与分子动力学计算结果一致.