冲击加载下铝的剪切模量

分别用Steinberg-Cochran-Guinan (SCG)模型、修正的SCG模型和有限应变理论对材料的剪切模量做了数值计算，并与一维平面应变加载下铝的实验结果进行了比较.结果表明，修正的SCG模型与实验结果较为符合.在10—80GPa的压力范围下，剪切模量随冲击压力的增加而逐渐增大，这是由于压力的影响占主要地位，发生了加工硬化.在80—125GPa的压力范围下，剪切模量随冲击压力的增大快速减小，这是因为温度的影响比较严重，发生了高温软化现象.剪切模量最终在冲击压力为125GPa处趋于零，这是由于在该压力点冲击熔化发生，剪切强度消失. 关键词： 剪切模量 Steinberg-Cochran-Guinan模型 有限应变理论 铝     

一种计算剪切模量温度系数的方法

采用理论计算与动高压实验相结合的方法，提出了一个计算剪切模量温度系数G′T的新方法.首先用理论方法计算一个中间数据G(PS)，然后再与动高压实验数据G(PH)结合在一起计算出G′T,并针对93钨合金材料进行了计算.计算结果表明剪切模量温度系数G′T开始是随温度和压力变化的，但在高温高压下，它趋近于一常数.对于93钨合金，这个常数约为-004GPa／℃.同时，这也是对Steinberg本构模型中的剪切模量温度系数为常数的一个证明.并且，当把这一常数代入剪切模量温度系数的计算式中，将重新计算出的剪切模量与实验测得的剪切模量结果进行了比较，结果表明二者符合得很好，从而证明了本计算的剪切模量温度系数的正确性. 关键词： 有限应变物态方程 剪切模量温度系数 Steinberg本构模型 动高压实验     

高压、高应变率与低压、高应变率实验的本构关联性

 指出Johnson-Cook（J-C）、Zerilli-Armstrong（Z-A）、Bodner-Parton（B-P）本构方程在一定条件下的适用性,表明对于低压、高应变率实验,单一曲线假定似乎可以采用。通过等效应力、等效应变,可以将不同应力状态下的流动应力函数采用统一的方程描述。然而,这些本构方程的确立,并不包括平面冲击波实验。对适合于平面冲击波实验的Steinberg-Cochran-Guinan（SCG）本构方程,讨论了其方程中所包含的高压与高应变率耦合效应。指出,以剪切模量度量的流动应力具有应变率相关性。基于温度效应的新发现以及直接测量平面冲击波流动应力的新进展,分别用J-C本构及SCG本构方程估算了钨材料在高压、高应变率加载下的流动应力。结果表明,采用J-C本构估算的流动应力仅在压力为10 GPa以下才能与实验数据相近,当压力高于10 GPa时,流动应力只能采用SCG本构估算。也指出了高压、高应变率本构方程与低压、高应变率本构方程所对应的不同物理背景。     

钨合金的高压本构研究

通过静高压实验、动高压实验及理论计算相结合的方法，确定了钨合金的一种高压本构方程 （Steinberg模型方程）中的各参数.用数值模拟计算方法，采用几种不同的本构模型进行了 计算，并与实测结果进行了比较.结果显示，确定的高压本构方程计算值与实测值符合最好. 关键词： 高压本构方程 Steinberg 模型 数值模拟计算 粒子速度波形     

Al、Cu、Ta高压熔化曲线的理论计算

由位错熔化理论和不同的静高压实验数据优化的体模量(B0)、剪切模量(G0)及它们对压力的一阶偏导数(B′0、G′0)值计算了Al、Cu、Ta的高压熔化曲线.理论计算的Al、Cu高压熔化曲线与静、动高压实验值较为吻合,Ta的理论高压熔化曲线与动高压实验结果一致,但与静高压实验结果相差较大.     

冲击压缩下铝、铜、钨的剪切模量和屈服强度与压力和温度的相关性

对铝、铜和钨在冲击压缩状态下的剪切模量和屈服强度的实验数据进行了综合分析，并与St einberg-Cochran-Guinan(SCG)模型的计算结果进行了比较，结果表明，铝在50 GPa、铜在1 00 GPa、钨在200 GPa冲击压力以内，三种材料的剪切模量和屈服强度随温度和压力的变化 趋势基本相似，即SCG模型的假设Y′_pY₀=G′_pG ₀,Y′_TY₀=G′_TG₀对这三种材料在上述冲击压力范围内近似成立，利用该模型可以较好地描述材料在冲击压缩 下的本构行为. 关键词： 剪切模量 屈服强度 压力 温度     

一种计算金属剪切模量的本构模型：以Al为例

用两步法构建了一个与温度和压力相关的适用于金属材料的剪切模量本构模型,其中的第一步任务是求得沿0 K等温线上剪切模量随压力的变化规律,即求得G₁=G₁（P,0 K）的函数式.第二步是从0 K等温线上某一给定P的G值出发,求出沿等压线上剪切模量随温度T变化的规律,从而最终求得剪切模量本构模型G=G（P,T）的具体表达式.在这两个阶段的研究中都利用了超声波测量和第一性原理计算方法的研究结果.用铝为模型材料,对本模型的合理性进行了检验.结果表明,G的模型预测数据与试验测量及理论计算数据相比较,无论G的演化是沿冲击压缩轨迹、等熵压缩轨迹、等温压缩轨迹还是等压线轨迹,都能达到令人满意的程度,故可认为本模型具有良好的普适性和合理性. 关键词： 铝 本构模型 剪切模量 冲击波压缩     

在固液混合相区物质剪切模量的讨论

 从实验和理论两个方面对处于固液相变平衡条件下物质在固液混合相区的剪切模量进行了讨论，认为物质的剪切模量在开始熔化时并不等于零。采用逾渗理论对物质在固液混合相区的固相连通性进行了计算，得到物质整体剪切模量消失的临界熔化质量分数为0.687左右。所给出的物质的熔化失稳因子F(p)能够定性的描述处于固液相变平衡条件下物质固液混合相区内相关物理参量的变化。     

低孔隙度疏松锡的高压声速与相变

为研究微孔洞对锡的高压相变的影响, 对含亚微米孔洞的疏松锡(疏松度m=1.01)进行了冲击加载-卸载实验. 利用DPS(Doppler pins system)测得了31.8-66.1 GPa冲击压力下疏松锡/LiF界面粒子的速度剖面, 获得了各压力下的纵波声速与体波声速, 给出了该疏松锡的冲击熔化起始压力约为49.1 GPa, 获得了各压力下的剪切模量与泊松比. 结合密实锡与疏松锡的高压纵波声速、体波声速与剪切模量, 界定密实锡的冲击熔化压力在53.5-62.3 GPa之间, 高于疏松锡的值, 表明微孔洞明显降低了冲击熔化压力. 对密实锡准确的冲击熔化压力值还需要进一步的实验数据. 测试的固态压力范围内的声速数据没有明显奇异点, 表明疏松锡没有类似密实锡的固态bcc 相变发生.     

硅团簇熔化行为的紧束缚分子动力学研究

利用紧束缚分子动力学方法研究了硅团簇Si_n(n=5—10)的熔化行为.给出了团簇 熔化潜热 和熔点随团簇尺寸的变化关系，表明团簇熔化潜热和熔点强烈依赖于团簇的原子数.计算结 果表明硅团簇熔化机理与金属团簇熔化有很大不同，金属小团簇的熔化是一个从低温类固态 向高温类固态转变的过程，在转变温区，类固态和类液态处于动力学共存，而硅团簇在转变 温区则是处于一种中间态，这种中间态既不是类固态又不是类液态.比较了用不同计算方法 和定义方法所得硅团簇熔点. 关键词： 紧束缚 硅团簇 熔化潜热     

高温高压下材料的本构模型

 在SCG模型基础上对其温度软化效应项作了改进,所提出的新模型在熔点温度T_m处满足剪切模量G(T_m)=0,从而提高了温度的适用范围。对Al和93W作了计算,其理论结果与实验符合相当好。     

Melting temperature of metals under pressure

In the present study, a thermodynamic model is formulated to determine the melting temperature of metals with increasing pressure using an equation of state (EoS). The model is applied to determine the melting temperature of Cu, Au, Ag, Zn, Cd, In and Pb at high pressure. The model formulation is based on Goyal and Gupta EoS which follows Stacey's criteria and is valid in high pressure conditions and also it does not involve any adjustable parameter. The volume compression, bulk modulus and its first order pressure derivative is determined using the EoS with an increase in pressure. It is observed that melting temperature show increase with the increase in pressure, however, variation is not linear. The comparison of present computed results of melting temperature under pressure is done with the theoretical and experimental results available and good consistency between the compared results is observed. This study helps in understanding the quantitative effect of pressure on the melting behavior of metals. The melting temperature at high pressures can also be predicted using the present formalism.     

冲击加载下LY12铝合金的动态屈服强度和层裂强度与温度的相关性

采用可测量任意反射表面的速度干涉仪对LY12铝合金在不同初始温度条件下的动态屈服与层裂行为进行了实验研究，温度范围从室温到接近熔化温度.实验结果显示：LY12铝合金的动态屈服强度随着温度升高而快速下降，当初始温度为847K (比熔化温度低86K) 时，其屈服强度仅为室温下的15％，层裂强度也随着温度升高而减小，在296—847K的实验温度范围内，层裂强度损失80%.通过实验结果与模型估算值的比较，发现Zerilli-Armstrong (ZA) 模型可以对LY12铝合金的动态屈服强度与温度的相关性进行较好 关键词： 温度相关性 LY12铝合金 动态屈服强度 层裂强度     

Shear modulus of shock-compressed LY12 aluminium up to melting point

Asymmetric plate impact experiments are conducted on LY12 aluminium alloy in a pressure range of 85-131 GPa. The longitudinal sound speeds axe obtained from the time-resolved particle speed profiles of the specimen measured with Velocity Interferometer System for Any Reflector （VISAR） technique, and they are shown to be good agreement with our previously reported data of this alloy in a pressure range of 20-70 GPa, and also with those of 2024 aluminium reported by McQueen. Using all of the longitudinal speeds and the corresponding bulk speeds calculated from the Gruneisen equation of state （EOS）, shear moduli of LY12 aluminium alloy are obtained. A comparison of the shear moduli in the solid phase region with those estimated from the Steinberg model demonstrate that the latter are systematically lower than the measurements. By re-analysing the pressure effect on the shear modulus, a modified equation is proposed, in which the pressure term of P/η^1/3 in the Steinberg model is replaced by a linear term. Good agreement between experiments and the modified equation is obtained, which implies that the shear modulus of LY12 aluminium varies linearly both with pressure and with temperature throughout the whole solid phase region. On the other hand, shear modulus of aluminium in a solid-liquid mixed phrase region decreases gradually and smoothly, a feature that is very different from the drastic dropping at the melting point under static conditions.     

Shear modulus of shock-compressed LY12 aluminium up to melting point

Asymmetric plate impact experiments are conducted on LY12 aluminium alloy in a pressure range of 85--131\,GPa. The longitudinal sound speeds are obtained from the time-resolved particle speed profiles of the specimen measured with Velocity Interferometer System for Any Reflector (VISAR) technique, and they are shown to be good agreement with our previously reported data of this alloy in a pressure range of 20--70\,GPa, and also with those of 2024 aluminium reported by McQueen. Using all of the longitudinal speeds and the corresponding bulk speeds calculated from the Gruneisen equation of state (EOS), shear moduli of LY12 aluminium alloy are obtained. A comparison of the shear moduli in the solid phase region with those estimated from the Steinberg model demonstrate that the latter are systematically lower than the measurements. By re-analysing the pressure effect on the shear modulus, a modified equation is proposed, in which the pressure term of $P/\eta^{1/3}$ in the Steinberg model is replaced by a linear term. Good agreement between experiments and the modified equation is obtained, which implies that the shear modulus of LY12 aluminium varies linearly both with pressure and with temperature throughout the whole solid phase region. On the other hand, shear modulus of aluminium in a solid-liquid mixed phrase region decreases gradually and smoothly, a feature that is very different from the drastic dropping at the melting point under static conditions.     

高压下金属铌熔化曲线的分子动力学模拟

铌作为一种高熔点的金属,广泛应用于制作合金材料. 铌的高温高压熔化曲线对于铌基合金的实际应用具有重要影响,但目前还未被成功研究. 本文中,我们采用铌目前已有的嵌入原子相互作用势函数（EAM）,通过经典的分子动力学方法,模拟了铌的熔化曲线. 两相法和改进Z方法的熔化曲线几乎完全一致,与Z方法的结果稍有差异. 我们也比较了尺寸效应对铌熔化曲线的影响. 我们认为,铌的现有的势函数描述其高压特性时不再适合,后续需要构建精确的温度和压强依赖的相互作用势函数来研究铌的高压特性.     

Pressure dependence of melting temperature and shear modulus of hcp-iron

The pressure effects on melting temperature and shear modulus of hcp-iron have been studied based on the semi-empirical approach in the Debye model. The recent well-established pressure-dependent Grüneisen parameter has been applied to derive the analytical expressions of the Debye frequency, the Debye temperature, melting temperature and shear modulus which are of importance to geophysical implications. Numerical calculations have been performed for hcp-iron as functions of pressure up to the pressure of Earth's inner core. Our calculations are compared with those of previous experimental and theoretical data showing the good and reasonable agreements. The present results contribute to the database of high pressure melting, especially Earth's inner core boundary temperature, and could also be used to verify as well as analyze the future high pressure diamond-anvil cell experiments.     

Phase Transition and Melting Curves of Calcium Fluoride via Molecular Dynamics Simulations

The phase transition and melting curves of CaF2 are investigated by using the general utility lattice programme （CULP） via the shell model with molecular dynamics method. By calculating the entropy H （at OK） and Cibbs free energy G^＊ （at 30OK）, we find that the phase transition pressure from the face-centred cubic （fee） structure to the orthorhombic structure is 11.40 CPa and 9.33 CPa at OK and 300K, respectively. The modified melting point of the fee CaF2 is in the range of 1650-1733K at OCPa. All these results are well consistent with the available experimental data and other theoretical results. We also obtain that the melting temperature of high pressure phase is 990-1073 K at 10 CPa. Moreover, the temperature dependences of the elastic constants Cij, bulk module B and shear module G are also predicted.