共查询到18条相似文献,搜索用时 62 毫秒
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钯作为典型高压标定材料,研究其在极端条件下的结构变化以及热力学性质具有广泛需求并充满了挑战,特别是冲击加载下钯的固-固相变过程研究仍然匮乏.本文基于嵌入原子势,使用经典分子动力学方法从原子角度揭示了冲击载荷加载下钯的结构相变路径,在0—375 GPa的压力区间观察到一系列复杂的结构转变特征,从初始的面心立方(FCC)结构,至带密排六方(HCP)结构的层错体心立方(BCC)结构,直至完全熔化.在沿<100>晶向冲击下,在70.0 GPa发现了FCC-BCC相变过程,远低于之前研究中静高压的结果.此外,还发现了冲击方向依赖的相变点,在沿着<110>及<111>晶向冲击时FCC-BCC相变压力分别增加至135.8和165.4 GPa,同时相比完美晶体,引入缺陷会使FCC-BCC相变压强值有20—30 GPa的增幅,并通过势能分布的分析予以验证.本文发现冲击加载下钯的FCC-BCC相变压力大大降低的特殊现象,为钯在高压实验等极端条件下的应用提供了新的理论认识. 相似文献
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用分子动力学方法模拟了冲击加载(沿[001]向)下单晶Fe中孔洞诱导相变形核及生长过程,并分析了初始温度对这一生长过程的影响.数值模拟显示:1) 相变形核首先出现在孔洞周围的(110)和(110)面上,并分别沿[110],[110]向和[110],[110]向生长成片状,之后核的生长方向则变为沿〈111〉向,形成“V”形板条状新相颗粒;2) 在相同冲击压力下,初始温度为300 K时在新相晶核边缘出现许多核胚,生成的新相颗粒比60 K时明显减小.这些现象表明,孔洞诱导相变形核及生长过程沿着特定晶向进行,而初
关键词:
相变
孔洞
分子动力学 相似文献
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用分子动力学方法模拟了冲击加载(沿[001]向)下单晶Fe中孔洞诱导相变形核及生长过程,并分析了初始温度对这一生长过程的影响.数值模拟显示:1) 相变形核首先出现在孔洞周围的(110)和(110)面上,并分别沿[110],[110]向和[110],[110]向生长成片状,之后核的生长方向则变为沿〈111〉向,形成“V”形板条状新相颗粒;2) 在相同冲击压力下,初始温度为300 K时在新相晶核边缘出现许多核胚,生成的新相颗粒比60 K时明显减小.这些现象表明,孔洞诱导相变形核及生长过程沿着特定晶向进行,而初 相似文献
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采用二级轻气炮加载技术,结合低温靶和光电监测技术,研究了在多次冲击压缩状态下液态硅烷的导电特性。本文在7—56GPa压力区间获得了一组新的电阻率数据点,并结合在高压区(65—108GPa)已发表的电阻率数据,在更宽压缩区间(7—108GPa)给出了硅烷流体电阻率随压力的变化规律。结果表明,硅烷流体在7—41GPa之间具有较好电绝缘性,但在41—52GPa之间电阻率从约150Ωcm迅速下降到约1Ωcm,其降幅达到两个数量级。当压力从52GPa进一步升高到108GPa,硅烷流体的电阻率再降低了近5倍,但与低压段相比电阻率随压力变化的速率明显减小。分析lnρ~P图中数据点分布特征发现在52GPa附近出现明显拐折点。据此推测硅烷流体在该压力附近可能发生了结构相变。 相似文献
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采用激光速度干涉仪(VISAR)、X射线衍射(XRD)和扫描电镜(SEM)联合测试技术,利用等厚对称加载和逆向加载实验,研究了Fe MnNi合金的冲击相变和层裂行为。结果发现:加载压力大于6.5 GPa时,Fe MnNi合金样品发生α→ε相变;中心稀疏波的卸载作用使内压力降至4~5 GPa时,Fe MnNi合金样品发生ε→α逆相变,并伴有卸载稀疏冲击波形成。分析Fe MnNi合金样品中塑性波、相变波、稀疏波和稀疏冲击波的传播作用过程,发现加载压力大于其相变应力时,等厚对称加载下Fe MnNi合金存在产生层裂行为的物理机制。 相似文献
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A molecular dynamics (MD) simulation is employed to study the phase transition process in argon induced by shock wave transmission. Deriving the relation between the shock and piston velocities, the theoretical equation of state for argon is presented. Also, argon equation of state is obtained by measuring the quantities directly from simulations to be able to detect the phase transitions. The phase transition is also detected by using argon phase diagram and free energy calculations. A comparison shows good agreement between the theoretical and MD results for the phase transitions. Based on these simulations, it is concluded that under a shock wave transmission with suitable energy, the solid argon experiences a phase transition from solid to liquid and another from liquid to supercritical fluid. By reflecting the shock wave back at the end of its passage, the whole argon may reach the supercritical state. 相似文献
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Abstract The structure of Zr after shock compression in the 8–32 GPa range at initial tempertures 290 K and 90 K has been investigated by X-ray diffraction and transmission electron microscopy. ω-phase fraction vs. peak pressure and crystallographic relationship between α- and ω-phases have been obtained. A dilatometric study of Zr samples containing ω-phase has been performed. 相似文献
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Abstract The shock adiabat for liquid xenon in the density range of 5.2–7.9 g/cm3 and pressure range of 8–70 GPa was investigated. The brightness temperature of a shock wave front from 5000 K to ?15,000 K, as well as the electrical conductivity behind the front from 4·103 to 1.2·105 1/Ohm m, were measured. X-ray technique was used to measure quasi-isentropic compression of liquid xenon up to ~13 g/cm3. The equations of state for liquid and solid phases of xenon were found. Anomalous behavior of xenon at p=8.37 g/cm3 was revealed, that is due to a structural transition. 相似文献
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Shock recovery experiments were performed on ruthenium–silicon powder mixtures by a flyer plate impact technique. The flyer velocities were in the range of 0.46–2.73 km/s, and the incident shock pressures were calculated to be ~2.9–~40.4 GPa by the impedance matching method. The recovered samples were characterized by X-ray diffraction and scanning electron microscopy. Results indicate that shock could induce a reaction between ruthenium and silicon. The shock pressure was found to affect reaction kinetics and microstructure of the recovered sample significantly. The dynamic reaction has a threshold pressure, and the samples loaded above threshold pressure almost completely reacted to a single-phase intermetallic compound of CsCl-type RuSi. These results indicate that shock compression could be an effective way to synthesize RuSi. 相似文献
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The objective of this work is to investigate the dependence of the electric behavior on shock pressure in Pb0.99(Zr0.95Ti0.05)0.98Nb0.02O3 (PZT 95/5-2Nb) and Pb0.99[(Zr0.90Sn0.10)0.96Ti0.04]0.98Nb0.02O3 (PZST) ferroelectric ceramics under shock wave compression. PZT 95/5-2Nb and PZST ceramics were subjected to high dynamic pressure generated by plate impacts. The output currents were measured under the short-circuit condition in the pressure range from 0.23 to 4.50 GPa. The evolution of the electric response exhibits three distinct regions: (1) Below the critical phase transition pressure (σC), alternate negative and positive piezoelectric currents are observed and the corresponding piezoelectric constant is e 31. (2) Above σC and below the complete phase transition pressure (σH), released charge increases with increasing shock pressure, illustrating the transition of ferroelectric to antiferroelectric phase. (3) Above σH, the output current is insensitive to the shock pressure. A similar evolutionary process is also observed in hydrostatic and uniaxial stress experiments. 相似文献
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Phase transition can strongly change the stress wave propagation features. In this paper, the characteristic wave propagation under combined tension and torsion impact loading was studied with a simplified constitutive model of phase transition considering both pressure and shear stress. The results showed that for loading from the austenitic phase to the mixed phase, the wave propagation was similar to that in the elasto-plastic materials. However, for an instantaneous loading from the austenitic phase or mixed phase directly to the martensitic phase, a coupling shock wave (CSHW) with phase transition was predicted due to the second phase strengthening effect, which has barely been studied before. Through analysis of the constitutive equations with phase transition and the discontinuity conditions of shock waves, the control equations of the generalized Hugoniot curve was obtained and the CSHW problem with phase transition was solved analytically. An independent numerical simulation of step loading along a NiTi thin walled tube suffering a combined tension-torsion impact loading was given to prove the existence of CSHW. The simulation discloses the formation mechanism of CSHW and the adjusting process of the stress state ahead of CSHW, which reflects the intrinsic characteristic of materials with strong nonlinear constitutive behavior. 相似文献