Three points concerning extreme compressions in shocked deuterium

Abstract

Those models, that show agreement with the Hugoniot data of Da Silva et al., over a large pressure range, are fit to the reflected wave experiment of Holmes et al. In these works it is assumed that the reflected wave is a single stable shock, in contradiction to the data. We change the picture to allow for multiwave-reflected waves and show that such is completely consistent with all data. The reflected wave is more accurately approximated by an adiabat than a Hugoniot and the fitted models should be adjusted to account for this difference. This is our first point. We then review from previous work the relevant physics that determines the maximum compression along a Hugoniot. This is our second point. Finally, with this understanding we are able to determine from experimental data on other molecular systems, such as nitrogen and benzene, whether the large compressions seen in the laser Hugoniot data for deuterium are reasonable. They are not.     

Efficient determination of Hugoniot states using classical molecular simulation techniques

We present a methodology for the efficient calculation of the shock Hugoniot using standard molecular simulation techniques. The method is an extension of an equation of state methodology proposed by Erpenbeck [1992, Phys. Rev. A, 46, 6406] and is considered as an alternative to other methods that generate Hugoniot properties. We illustrate the methodology for shocked liquid N₂ using two different simulation methods: (a) the reactive Monte Carlo method for a reactive system; and (b) the molecular dynamics method for a non-reactive system. The method is shown to be accurate, stable and generally independent of the algorithm parameters. We find excellent agreement with results calculated by other previous simulation studies. The results show that the methodology provides a simulation tool capable of determining points on the shock Hugoniot from a single simulation in an efficient, straightforward manner. Further applications and extensions of the method are briefly discussed.     

Gold under high pressure

Abstract

First principle predictions for the equation of state of gold using solid and liquid state theories are compared up to combined pressures and temperatures of 600 GPa and 17 000 K with static diamond anvil cell compression, ultrasonic measurements and shock Hugoniot data which include a recent laser driven shock Hugoniot points at 600 GPa. Excellent agreement between theoretical and experimental data is observed. The theoretically estimated 300 K isotherm agrees to within 2 GPa with the isotherm that has been measured to 70 GPa using the diamond anvil cell. The structural energy estimates show that the normal f.c.c. phase remains stable under pressure. The estimate of the shock Hugoniot temperature of gold at 600 GPa based on a liquid state model is consistent with the measurements of laser induced shock luminescence, which in fact provides an experimental determination of the temperature of gold above its Hugoniot melting point. The powerful means provided by theory in the prediction of material properties of gold at ultra high pressures and temperatures is significant because gold is an efficient converter of laser energy into soft X-rays and is a potential candidate as a standard for high pressure, high temperature work.     

Convergence acceleration of molecular dynamics methods for shocked materials using velocity scaling

ABSTRACT

In this work, a convergence acceleration method applicable to extended system molecular dynamics techniques for shock simulations of materials is presented. The method uses velocity scaling to reduce the instantaneous value of the Rankine–Hugoniot conservation of energy constraint used in extended system molecular dynamics methods to more rapidly drive the system towards a converged Hugoniot state. When used in conjunction with the constant stress Hugoniostat method, the velocity scaled trajectories show faster convergence to the final Hugoniot state with little difference observed in the converged Hugoniot energy, pressure, volume and temperature. A derivation of the scale factor is presented and the performance of the technique is demonstrated using the boron carbide armour ceramic as a test material. It is shown that simulation of boron carbide Hugoniot states, from 5 to 20 GPa, using both a classical Tersoff potential and an ab initio density functional, are more rapidly convergent when the velocity scaling algorithm is applied. The accelerated convergence afforded by the current algorithm enables more rapid determination of Hugoniot states thus reducing the computational demand of such studies when using expensive ab initio or classical potentials.     

Aluminum Hugoniot from model calculations including semicore electrons based on density functional theory

We present a method to obtain Hugoniot from model calculations based on density functional theory, and apply the method to aluminum Hugoniot. Technological advances have extended the experimental research of high energy density physics, and call for quantitative theoretical analysis. However, direct computation of Hugoniot from density functional theory is very difficult. We propose two step calculations of Hugoniot from density functional theory. The first step is molecular dynamics simulations with an ambient temperature for electrons. The second step is total energy calculations of a crystal with desired high temperatures for electrons and with the ambient temperature for electrons. We treated the semicore 2s and 2p electrons of aluminum as valence electrons only for the total energy calculations of the aluminum crystal. The aluminum Hugoniot from our model calculations is in excellent agreement with available experimental data and the previous density functional theory calculations in the literature.     

High dynamic pressures and applications in materials science

Abstract

The high dynamic pressure behaviour of materials is, for many years, of great interest either for scientific studies (equation of state, Hugoniot and off Hugoniot, phase transitions …) or for industrial applications (synthesis of new materials, hardening, welding, powder compaction, jet cutting…

These different aspects are presented and these capabilities certainly will be an important factor in the next future.     

An equation of state for anisotropic solids under shock loading

An anisotropic equation of state is proposed for accurate extrapolation of high-pressure shock Hugoniot states to other thermodynamics states for shocked single crystals and polycrystalline alloys. The proposed equation of state represents mathematical and physical generalization of the Mie-Grüneisen equation of state for isotropic material and reduces to this equation in the limit of isotropy. Using an anisotropic nonlinear continuum framework and generalized decomposition of a stress tensor [Int. J. Plasticity 24, 140 (2008)], the shock waves propagation along arbitrary directions in anisotropic solids of any symmetry can be examined. The non-associated strength model includes the distortion effect of the yield surface which can be used to describe the anisotropic strength differential effect. A numerical calculation showed that the general pulse shape, Hugoniot Elastic Limits (HELs), and Hugoniot stress levels for aluminum alloy 7010-T6 agree with the experimental data. The results are presented and discussed, and future studies are outlined.     

Static EOS of uranium to 100 GPa pressure

Abstract

The crystal structure and compressibility of uranium has been determined by energy dispersive X-ray measurements in a diamond-cell apparatus up to pressures of 100 GPa. The alpha phase of uranium remains stable up to the highest pressures as suggested by earlier shock-Hugoniot data. An equation-of-state for alpha-uranium derived from both types of data implies that this phase also remains stable up to 2500 K at Hugoniot pressures of 100 GPa.     

Laser-shock-driven laboratory measurements of the equation of state of hydrogen isotopes in the megabar regime

Abstract

A high intensity laser has been used to shock-compress liquid deuterium to pressures from 0.22 Mbar, near the upper end of gas-gun shock data, to 3.4Mbar. Using a variety of diagnostics, the density, pressure, and reflectivity of the shocked deuterium were determined, culminating in a knowledge of the behavior of hydrogen isotopes along the principal Hugoniot into the Mbar regime. It was found that hydrogen isotopes become highly compressible near 1 Mbar as a result of molecular dissociation and simultaneous ionization. Reflectivity measurements confirmed that deuterium transitions from an insulating state to a conducting phase at pressures near 0.5 Mbar on the Hugoniot and appears to do so in a continuous manner. At pressures above 0.5 Mbar, the measured reflectivity of the shocked deuterium is characteristic of a liquid metal.     

Shock-induced phase transitions in the MgO-FeO system to 200 GPa

We report new shock-compression data for single-crystal MgO at 114 and 192 GPa. Our data together with the existing shock-wave data revealed a volume discontinuity at 170±10 GPa along with the MgO Hugoniot. The discontinuity gives a volume increase of 1.9%, indicating a possible phase transition from a rock-salt structure (B1) to a high-temperature phase along with the MgO Hugoniot. We re-examined the Hugoniot data on polycrystalline sample (Mg_0.6, Fe_0.4)O up to 200 GPa [M.S. Vassiliou, T.J. Ahrens, The equation of state of Mg_0.6Fe_0.4O to 200 GPa, Geophys. Res. Lett. 9 (1982) 127-130], which showed similar discontinuity with a 2.2% volume increase at 135±10 GPa. Our results add to fundamental understandings of the behavior of MgO and the lower mantle mineral magnesiowüstite (Mg, Fe)O at ultrahigh pressure and temperature.     

液氮与液态一氧化碳混合物的冲击压缩特性研究

 利用二级轻气炮研究了等体积的液态一氧化碳（LCO）与液氮（LN₂）混合物的冲击压缩特性，在10～25 GPa压力范围内获得了5个Hugoniot数据点。混合物冲击绝热线位于单质一氧化碳和液氮Hugoniot拟合线之间，并靠近前者。这意味着混合物的冲击压缩特性不是其中各单质行为的简单平均。     

泡沫态硅橡胶冲击绝热线的近似计算

在孔穴塌缩模型的基础上,建立了计算泡沫态硅橡胶在不同初始密度下的冲击绝热线参数的理论方法。获得了泡沫态硅橡胶在两种不同初始密度下(0.52 g/cm3和0.92 g/cm3)的冲击绝热线,并与已有的实验数据进行对比分析。结果表明,建立的理论方法对于泡沫态硅橡胶的冲击绝热线计算是适用的。     

Symmetry analysis of the interplay between local moment anisotropies and propagation vectors in the borocarbides

Representational analysis is used to examine the interplay between Fermi surface nesting and local moment effects in the formation of the magnetically ordered states of the rare-earth nickel borocarbides, RNi₂B₂C. We derive compatibility tables for the propagation wavevector k, the local moment anisotropy and the ordered moment direction μ _k for materials with this tetragonal crystal structure. The magnetic structures observed in the rare-earth nickel borocarbides are discussed in this context.     

BaCO3和TiO2粉末混合物冲击压缩性和BaTiO3冲击合成的实验研究

 利用高能炸药爆轰驱动冲击波、狭缝扫描闪光隙高速照相技术和阻抗匹配解原理，在10~100 GPa压力范围内，测量了BaCO₃和TiO₂粉末混合物的冲击绝热数据。同时，利用轴对称柱面和平面爆轰装置，进行了该混合物样品的冲击后回收实验和回收样品的X射线衍射分析，考察BaTiO₃的冲击合成。测量出的冲击绝热数据，以冲击波压力和比容平面上的结果为例，在约30和45 GPa两个压力值时，比容发生明显跃变。冲击绝热数据与回收样品X射线衍射分析结果相结合，判断出，这两个跃变分别对应于TiO₂从锐钛矿相转变到高压β-TiO₂相，BaCO₃与TiO₂开始急剧化学反应合成出BaTiO₃并放出CO₂。此外，在压力为10 GPa左右作回收实验，其回收样品的X射线衍射分析表明TiO₂由锐钛矿相完全转变为金红石相。     

Shock-wave compression of x-cut quartz as determined by electrical response measurements

The mechanical response of x-cut quartz in the vicinity of the Hugoniot elastic limit is determined from measurements of the piezoelectric current from samples impact loaded from 26 to 130 kbar. The Hugoniot elastic limit is determined to be 60_?1·5⁺³ kbar at a compression of 0·066_?0·002^+0·004 This Hugoniot elastic limit corresponds to a shear strength of 5·5 per cent of the C₄₄ shear modulus. For stresses well above the Hugoniot elastic limit the electrical current measurements show that the material exhibits a substantial reduction of shear strength. The pressure derivative of the bulk modulus is determined to be 4·5, substantially less than the ultrasonic value. The experimental records show evidence for a time delay for reduction of shear strength which varies from about 10^?7 sec immediately above the 60 kbar Hugoniot elastic limit to about 10^?8 sec for stresses well above the Hugoniot elastic limit. The measurements also show stress relaxation below the Hugoniot elastic limit between 40 and 60 kbar.     

New constraints on gruneisen parameters applications to equations of state for pressure markers

Abstract

“Regular” linear relations between shock and particle velocities, u_s = u_s0, + c · u_p, imply a divergence of the Hugoniot pressure p_H at a critical compression V _c/V _o = (c-1)/c, where the thermal pressure Δp _th = (γ/V)· ΔU _th = p _H-p _T becomes very large with respect to the cold (isothermal) pressure p _T at this compression. The Hugoniot relation for the total internal energy U _H results in this case in the relation γ_c = 2(c- 1) for the Grüneisen parameter in this region. Experimental data for the zero pressure value Γ_o and its derivative Γ_o together with theoretical data for the limiting value γ_∞ = 2/3, and the additional expenmental value γ_c are then used to determine the thermal (phonon) pressure with the common Mie-Grüneisen assumption.     

Hugoniot线上的一个经验常数——来自多孔材料Hugoniot数据的对比研究

 对不同初始密度样品冲击压缩Hugoniot数据的系统分析显示，对每种固体物质而言存在一个表征材料特性的沿其Hugoniot线不随冲击压力而变的经验常数β。β的数值随材料而异。对金属元素而言，该经验特性常数β与初始密实密度ρ₀之间遵循同一个幂指数关系。利用该常数β，可很方便地对不同初始密度的Hugoniot数据进行换算，并可以很方便地获得Grüneisen参数。还对β值为常数的适用范围作了讨论。     

Dynamic quasi-isentropic loading of tungsten

Abstract

Experiments have been performed on smooth bore guns to obtain quasi-isentropic compression in tungsten to stresses approaching 250 GPa. Quasi-isentrophic loading was introduced in the material either by using graded density or layered impactors. Results of these experiments indicate that the quasi-isentrope lies above the Hugoniot up to ～140 GPa, contrary to initial expectations. These results suggest that the dynamic yield strength of the material is higher for the relatively slower rates of isentropic loading.     

JB-9001钝感炸药冲击Hugoniot关系测试

 利用“压力对比法”实验技术，通过锰铜压力计测试待测炸药样品和LY12铝样品在LY12铝飞片的同时撞击下的界面压力p_exp和p_Al，从冲击波关系式和正交回归直线拟合分析，确定了JB-9001钝感炸药的冲击Hugoniot关系。     

反向碰撞法测量Bi的低压Hugoniot数据

在火炮和二级轻气炮上利用反向碰撞技术,通过测量飞片击靶速度以及飞片/窗口的界面粒子速度,获得了金属铋(Bi)在10-45 GPa压力范围内的Hugoniot数据. 该方法克服了电探针法在测量低压Hugoniot数据时由于导通一致性差而不能准确得到冲击波速度的难题,同时又避免了精确测量样品中冲击波走时的问题. 实验获得的冲击波速度(D)-波后粒子速度(u)Hugoniot数据表明,Bi在粒子速度u=0.9 km/s附近D-u曲线发生了明显拐折,产生这一拐折的原因推测与冲击导致的Bi的固-液相变有关. 关键词： Hugoniot数据 反向碰撞 冲击相变 铋