Equation of state of fluid helium at high temperatures and densities

Hugoniot curves and shock temperatures of gas helium with initial temperature 293 K and three initial pressures 0.6, 1.2, and 5.0 MPa were measured up to 15000 K using a two-stage light-gas gun and transient radiation pyrometer. It was found that the calculated Hugoniot EOS of gas helium at the same initial pressure using Saha equation with Debye-Hückel correction was in good agreement with the experimental data. The curve of the calculated shock wave velocity with the particle velocity of gas helium which is shocked from the initial pressure 5 MPa and temperature 293 K, i.e., theD ≈u relation,D=C ₀+λu (u<10 km/s, λ=1.32) in a low pressure region, is approximately parallel with the fittedD ≈u (λ=1.36) of liquid helium from the experimental data of Nellis et al. Our calculations show that the Hugoniot parameter λ is independent of the initial density p{in0}. TheD≈u curves of gas helium will transfer to another one and approach a limiting value of compression when their temperature elevates to about 18000 K and the ionization degree of the shocked gas helium reaches 10⁻³.     

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.     

Equation of state of fluid helium at high temperatures and densities

Helium, hydrogen, and their isotopes are the simplest monoatomic and diatomic molecules. It is relatively easy to describe their properties using the basic principles of quantum mechanics. In condensed matter physics, hydrogen and helium serve as the models for the condensed matter properties at extreme conditions so that both experi- mental and theoretical physicists pay much attention to the study of their properties[1], especially the insulator-metal transition of hydrogen[2]. The aim to st…     

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.     

Elastic-plastic phenomena in ultrashort shock waves

A physical model of shock-wave phenomena in metals irradiated by a femtosecond laser pulse has been developed. The use of the experimental results (reported in S.I. Ashitkov et al., Pis’ma Zh. Eksp. Teor. Fiz. 92, 568 (2010) [JETP Lett. 92, 516 (2010)] together with the molecular dynamics simulation makes it possible to study the elastic properties of aluminum crystals at extreme shear stresses comparable in amplitude with the shear modulus. As a result, the elastic Hugoniot adiabat has been continued to the region of metastable elastic states at very high pressures, which are one or two orders of magnitude higher than the commonly accepted values for the dynamic elastic limit. It has been shown that the ultrashort elastic shock wave of superhigh pressure precedes the formation of the known split-shock wave structure consisting of an elastic precursor and a plastic shock wave.     

Binary collision approximation for solitary waves in a Y-shaped granular chain

We implement a binary collision approximation to study solitary wave propagation in a two-dimensional double Y-shaped granular chain. The solitary wave was transmitted and reflected when it met the interface of the bifurcated branches of the Y-shaped granular chains. We obtain the analytic results of the ratios of the transmitted and reflected speeds to the incident speed of the solitary wave, the maximum force between the two neighbor beads in a solitary wave, and the total time taken by the pulse to pass through each branch. All of the analytic results are in good agreement with the experimental observations from Daraio et al. [Phys. Rev. E 82 036603 (2010)]. Moreover, we also discuss the delay effects on the arrival of split pulses, and predict the recombination of the split waves traveling in branches in the final stem of asymmetric systems. The prediction of pulse recombination is verified by our numerical results.     

On compressibility of osmium metal

On the basis of the high-pressure diamond anvil cell experiments on Os metal, Cynn et al. [Phys. Rev. Lett. 88, 135701-1 (2002)] have reported that this metal has lower compressibility than diamond. In the present work we have reanalysed the experimental data of Cynn et al. We find that the bulk moduli of Os and diamond are close to each other, implying that Os metal is as incompressible as diamond, but not more so. Our first principles total energy calculations using the full potential linearised augmented plane wave method on Os and diamond also suggest the same results.     

An accurate,global, ab initio potential energy surface for the H+ 3 molecule

A new global, ground-state, Born-Oppenheimer surface is presented for the H⁺ ₃ system. The energy switching approach has been used to combine different functional forms for three different regimes: a spectroscopic expansion at low energy, a Sorbie-Murrell function at high energy and known long-range terms combined with accurate diatomic potentials at large separations. At low energies we have used the ultra high accuracy ab initio data of Cencek et al. (1998, J. chem. Phys., 108, 2831). At intermediate energy we have calculated 134 new ab initio energies using a high accuracy, explicitly correlated procedure. The ab initio data of Schinke et al. (1980, J. chem. Phys., 72, 3909) has been used to constrain the high energy region. Two fits are presented which differ somewhat in their behaviour at energies over 45 000 cm^?1 above the H⁺ ₃ minimum. Below this energy, the fits reproduce each set of ab initio data close to their intrinsic accuracy. The ground state surface should provide a suitable starting point for renewed studies of the near-threshold photodissociation spectrum originally reported by Carrington et al. (1982, Molec. Phys., 45, 753).     

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     

Water droplets in a spherically confined nematic solvent: A numerical investigation

Recently, it was observed that water droplets suspended in a nematic liquid crystal form linear chains [Poulin et al., Science 275, 1770 (1997)]. The chaining occurs, e.g., in a large nematic drop with homeotropic boundary conditions at all the surfaces. Between each pair of water droplets a point defect in the liquid crystalline order was found in accordance with topological constraints. This point defect causes a repulsion between the water droplets. In our numerical investigation we limit ourselves to a chain of two droplets. For such a complex geometry we use the method of finite elements to minimize the Frank free energy. We confirm an experimental observation that the distance d of the point defect from the surface of a water droplet scales with the radius r of the droplet like .When the water droplets are moved apart, we find that the point defect does not stay in the middle between the droplets, but rather forms a dipole with one of them. This confirms a theoretical model for the chaining. Analogies to a second order phase transition are drawn. We also find the dipole when one water droplet is suspended in a bipolar nematic drop with two boojums, i.e., surface defects at the outer boundary. Finally, we present a configuration where two droplets repel each other without a defect between them. Received 11 December 1998     

Elastic scattering of low-energy electrons by NO

We report elastic integral, momentum transfer and differential cross sections for electron scattering by N₂O for energies up to 50 eV. These results were obtained at the static-exchange approximation with the Schwinger Multichannel Method with Pseudopotentials [M.H.F. Bettega, L.G. Ferreira and M.A.P. Lima, Phys. Rev. A 47, 1111 (1993)]. In general our results show good agreement with experimental data and with other theoretical results but some discrepancies are found. We have also found a shape resonance around 4 eV in agreement with previous calculations using the R-matrix Method of Sarpal et al. [J. Phys. B 29, 857 (1996)]. On the other hand, the existence of a resonance at about 13 eV, clearly seen by the Schwinger Variational Iterative Method [Michelin et al., J. Phys. B 29, 2115 (1996)], can not be confirmed by our calculations. At this energy, our cross sections show a broad bump with no clear resonant behavior given by the eigenphase sum. Received: 13 November 1997 / Revised: 13 March 1998 / Accepted: 9 April 1998     

Efficient nonlinear-optical frequency conversion in periodic media in the presence of diffraction of the pump and harmonic fields

It has been predicted by Shelton and Shen [Phys. Rev. A 5, 1867 (1972)] and observed by Kajikawa et al. [Jpn. J. Appl. Phys. Lett. 31, L679 (1992)] and Yamada et al. [Appl. Phys. B 60, 485 (1995)] that the efficiency of nonlinear-optical frequency conversion increases significantly in a nonlinear periodic medium and, accordingly, the intensity of the generated harmonic increases as the fourth power of the sample thickness, as opposed to the square law observed in homogeneous media. In this paper it is shown that the same enhancement of the efficiency of nonlinear-optical frequency conversion in a nonlinear periodic medium can be achieved using an ordinary pump wave in the form of a plane wave when both the pump wave and the harmonics are diffracted by the periodic structure of the nonlinear medium. The phenomenon is analyzed quantitatively in the example of second-harmonic generation. Pis’ma Zh. éksp. Teor. Fiz. 70, No. 12, 793–799 (25 December 1999)     

Theoretical predictions on α-decay properties of some unknown neutron-deficient actinide nuclei using machine learning

Neutron-deficient actinide nuclei provide a valuable window to probe heavy nuclear systems with large proton-neutron ratios. In recent years, several new neutron-deficient Uranium and Neptunium isotopes have been observed using α-decay spectroscopy [Z. Y. Zhang et al., Phys. Rev. Lett. 122, 192503 (2019); L. Ma et al., Phys. Rev. Lett. 125, 032502 (2020); Z. Y. Zhang et al., Phys. Rev. Lett. 126, 152502 (2021)]. In spite of these achievements, some neutron-deficient key nuclei in this mass region are still unknown in experiments. Machine learning algorithms have been applied successfully in different branches of modern physics. It is interesting to explore their applicability in α-decay studies. In this work, we propose a new model to predict the α-decay energies and half-lives within the framework based on a machine learning algorithm called the Gaussian process. We first calculate the α-decay properties of the new actinide nucleus \begin{document}$ {}^{214}{\rm{U}}$\end{document}. The theoretical results show good agreement with the latest experimental data, which demonstrates the reliability of our model. We further use the model to predict the α-decay properties of some unknown neutron-deficient actinide isotopes and compare the results with traditional models. The results may be useful for future synthesis and identification of these unknown isotopes.     

Fluid transport at low Reynolds number with magnetically actuated artificial cilia

By numerical modeling we investigate fluid transport in low-Reynolds-number flow achieved with a special elastic filament or artifical cilium attached to a planar surface. The filament is made of superparamagnetic particles linked together by DNA double strands. An external magnetic field induces dipolar interactions between the beads of the filament which provides a convenient way of actuating the cilium in a well-controlled manner. The filament has recently been used to successfully construct the first artificial micro-swimmer (R. Dreyfus et al., Nature 437, 862 (2005)). In our numerical study we introduce a measure, which we call pumping performance, to quantify the fluid transport induced by the magnetically actuated cilium and identify an optimum stroke pattern of the filament. It consists of a slow transport stroke and a fast recovery stroke. Our detailed parameter study also reveals that for sufficiently large magnetic fields the artificial cilium is mainly governed by the Mason number that compares frictional to magnetic forces. Initial studies on multi-cilia systems show that the pumping performance is very sensitive to the imposed phase lag between neighboring cilia, i.e., to the details of the initiated metachronal wave.     

On the problem of the relation between phason elasticity and phason dynamics in quasicrystals

It has recently been claimed that the dynamics of long-wavelength phason fluctuations has been observed in i-AlPdMn quasicrystals [S. Francoual et al. Phys. Rev. Lett. 91, 225501 (2003); A. Létoublon et al. 54, 753 (2001)]. We will show that the data reported call for a more detailed development of the elasticity theory of Jarić and Nelsson [M.V. Jarić and D.R. Nelsson, Phys. Rev. B 37, 4458 (1988)] in order to determine the nature of small phonon-like atomic displacements with a symmetry that follows the phason elastic constants. We also show that a simple model with a single diffusing tile is sufficient to produce a signal that (1) is situated at a “satellite position” at a distance q from each Bragg peak; that (2) has an intensity that scales with the intensity of the corresponding Bragg peak; (3) falls off as 1/q²; and (4) has a time decay constant that is proportional to 1/Dq². It is thus superfluous to call for a picture of “phason waves” in order to explain such data, especially as such “waves” violate many physical principles.     

The wavefunction of the complex coordinate method

We show for a model system previously studied by Moiseyev et al. (1978, Molec. Phys., 36, 1613) how, with a basis of sufficient flexibility, the wave-function of the complex coordinate method can approach the function which can be directly obtained from a numerical integration of the wave equation with a complex coordinate and a complex energy. Diagrams of the complex wavefunction are used to visualize its behaviour in the short and long range regions, and the attenuation (localization) produced by the rotation.     

派热克斯玻璃的固态相变区物态方程

派热克斯玻璃的Hugoniot实验数据显示了在20GPa以下存在相变,我们认为这是一种固态-固态的一级相变,根据Gibbs相平衡条件并应用了相变前的低压物态方程,计算了这种固态-固态相变的熵增。计算表明熵增为负值,即相变为放热过程。在此基础上给出了相变区的物态方程,其中冷压为平台,内能计入了相变熵的影响。由相变区的物态方程得到的理论的与实验的Hugoniot曲线基本一致。     

Statistical inversion from reflections of spherical waves by a randomly layered medium

Abstract

We show that the asymptotic theory developed for the analysis of reflected wave pulses from randomly layered media can be used to solve statistical inverse problems. In particular, we recover the large scale behavior of medium properties from a single realization of reflected wave pulses observed at different points on the surface.     

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。     

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.