Hydrogen and deuterium in shock wave experiments,ab initio simulations and chemical picture modeling

We present equation of state data of shock compressed hydrogen and deuterium. These have been calculated in the physical picture by using ab initio molecular dynamics simulations based on finite temperature density functional theory as well as in the chemical picture via the Saha-D model. The results are compared in detail with data of shock wave experiments obtained for condensed and gaseous precompressed hydrogen and deuterium targets in a wide range of shock compressions from low pressures up to megabars.     

Theoretical Exploration of the Isotopic Effect on Molecular High-Order Harmonic Generation

The isotopic effect on the generation of the molecular high-order harmonics is studied by numerically solving the one-dimensional time-dependent Schrödinger equation when the model hydrogen molecule ions/hydrogen deuterium molecule ions are exposed to an intense laser pulse. To explain the effect more clearly, not only the ionization probabilities but also the electron–nuclear probability density distributions and time-frequency profiles are calculated. The results show that more intense harmonics are generated in the asymmetric diatomic molecule ions/hydrogen deuterium molecule ions than those of hydrogen molecule ions. Moreover, the interference minimum in the harmonic spectra is investigated by adjusting the laser intensity and the initial vibrational state. It is shown that the interference minimum is sensitive to the laser intensity and the initial vibrational level for hydrogen molecule ions; in contrast, it is only dependent on the initial vibrational level for hydrogen deuterium molecule ions.     

Deuterium and hydrogen distribution in a stack of Ta|(CD2) n |Ta foils under the action of high-temperature pulsed nitrogen plasma

Using the method of the elastic recoil detection (ERD) of hydrogen nuclei and a Plasma Focus setup (PF-4), we study the processes of the storage and redistribution of hydrogen and deuterium atoms in a stack of two tantalum foils and a deuterated polyethylene film sandwiched between them under pulsed irradiation with hot nitrogen plasma. It is established that the redistribution of implanted deuterium and hydrogen occurs at greater depths in both tantalum foils after 30 pulses of nitrogen plasma. The maximum concentrations of hydrogen and deuterium, namely 7 and 45 at % are observed on the surface of the second tantalum foil which is more distant from the PF-4 setup. The redistribution of deuterium from deuterated polyethylene onto the surface and volume of both Ta foils is observed. The observed phenomenon can be explained by the breaking of chemical bonds in the deuterated polyethylene and the transfer of freed deuterium into the Ta foils under the action of strong shock waves formed in the structure, as well as the accelerated diffusion of hydrogen and deuterium in the stress field caused by the shock wave.     

强激光加载下高压液氘材料的电导率

液氘在高压下有丰富的电学光学性质。利用反射率和相对介电函数关系并从广义极化角度出发初步建立了计算低Z材料电导率的简易模型;在神光-Ⅱ装置上利用第九路激光冲击加载液氘材料并测量了其在强激光冲击下的高压状态参数和反射率。结合上述理论模型和实验,研究了高压下液氘的电离度和电导率。结果表明,液氘在约70 GPa时的电导率约为2.87105 (Wm)-1,已呈现出较为明显的金属电导特性。显然,冲击加载下液氘从绝缘分子态开始电离并向金属氘转变发生在更低的压强。     

Electronic modifications and surface reactivity of an ion bombarded graphite surface

The first steps of structural and electronic modifications of a graphite surface bombarded with argon, hydrogen and deuterium ions were investigated using high resolution electron energy loss spectroscopy (HREELS). The energy and the damping of the low energy plasmon mode of graphite (E//C mode) were studied with respect to the bombardment settings. We show that argon bombardment affects the energy of the plasmon mode, while no similar change is observed after hydrogen (deuterium) bombardments. This can be related to the variation of inter-planar distance between two graphene layers. Moreover, the damping of the plasmon mode can be correlated with the interstitial defect concentration. Concerning the reactivity of the bombarded surfaces, we demonstrate that deuterium bombardment produce a non-deuterated surface. This last is very reactive to a further atomic deuterium exposure, as it is shown by the formation of C-D bondings. The deuterated sites can be removed after thermal annealings between 473 and 783 K. The occurrence of a chemical erosion mechanism accompanying this deuteration is discussed.     

Modeling hot, dense hydrogen with a classical spin dependent hamiltonian

Hot, dense hydrogen is studied with a classical model in which the interaction energy between atoms depends on their internal spins as well as their separation distance. The spins are treated as classical variables. This model is used in Monte Carlo simulations to calculate internal energies, pressures, and pair correlation functions, as well as the Hugoniot for shocked liquid deuterium. The results clearly show the transition of hot, dense hydrogen from a molecular to an atomic fluid. Our results are in reasonable agreement with far more elaborate quantum mechanical simulations.     

Heat transfer in solid HD at low temperatures

The lattice thermal conductivity of solid HD has been calculated in the temperature range 0.2–4°K. The important scatterers of phonons are found to be boundary walls of the crystal, isotopic impurities, phonons and molecules of ortho hydrogen and para deuterium. The presence of molecules of ortho hydrogen and para deuterium in solid HD which act as rotational impurities, are responsible for one and two phonon scattering processes in the system. The entire study is based on the Callaway model of the lattice thermal conductivity of an insulator. Excellent agreement is found between calculated and experimental values of phonon conductivity. The extra lattice thermal resistivity due to the presence of the ortho hydrogen and para deuterium is also calculated.     

Porous generator of thermonuclear fuel pellets

A model of solid hydrogen isotope pellet formation is proposed for an original porous generator employed in the system of periodic particle injection into the plasma of thermonuclear devices. The results of model calculations show that the frequency of 3-mm pellet formation in this system may reach up to 2, 1.3, and 1 Hz for hydrogen, deuterium, and tritium, respectively.     

拉曼光活性(ROA)经典理论模型研究

拉曼光活性（ＲＯＡ）经典理论模型研究马树国吴国祯（清华大学物理系北京１０００８４）ＡＣｌａｓｉｃａｌＴｈｅｏｒｙｆｏｒｔｈｅＲａｍａｎＯｐｔｉｃａｌＡｃｔｉｖｉｔｙＭａＳｈｕｇｕｏ，ＷｕＧｕｏｚｈｅｎ（ＤｅｐａｒｔｍｅｎｔｏｆＰｈｙｓｉｃｓ，Ｔｓｉｎ...     

氢及其同位素宽区状态方程的核量子效应

应用大规模第一性原理分子动力学数值模拟方法,系统研究了氢及其同位素在极端条件下的分子解离规律及状态方程,并给出了参数化的解函数拟合公式。结合分子、原子流体量子振动的一阶修正,揭示了氢及其同位素的核量子效应,解析获得了氢、氘分子在温稠密区域分子解离规律的差别。由第一性原理状态方程给出了雨贡纽曲线,与气炮、化学炸药、磁驱动、高能激光等实验数据相符合,并详细讨论了由核量子效应导致的氢、氘雨贡纽曲线的同位素效应。     

The structure of liquid deuterium bromide by slow-neutron scattering

Neutron diffraction measurements at 0·7 Å are reported for coexisting liquid deuterium bromide at -40°C. The results show that the deuterium bromide molecule in the liquid is little distorted as compared with the free molecule. The presence of a peak in the intermolecular pair distribution function at 3·1 Å is thought to be evidence of the formation of weak, rather long, intermolecular hydrogen bonds. As expected, both these effects are much weaker than for deuterium chloride reported in an earlier paper [2] and liquid deuterium bromide is therefore a simpler polar liquid.     

高压氘氚靶球的制备与拉曼光谱研究

氢同位素的定量分析与监测在能源与环境领域都有着重要的意义。激光拉曼光谱由于其可以无损分析氢同位素分子,已经成为一种重要的方法,在国际热核聚变实验反应堆(ITER)和美国萨凡纳河工厂得到了广泛应用。利用高压充气装置得到了惯性约束聚变(ICF)高压靶丸,并对靶丸内气体进行原位拉曼光谱测量,通过对高压下氘氚混合气体的拉曼光谱进行分析得到了靶丸内气体的成分比例,验证了靶丸充气工艺参数。实验表明,在CCD的积分时间延长到1 min时,氘(DD),氘氚(DT)和氚(TT)的测量精度可以达到1%,同时对不同时刻靶丸内气体组分的拉曼光谱进行测量,实验结果表明在氘氚渗透和氚衰变两者共同作用下,靶丸内总气体压力随时间不断下降,但是气体组成基本不发生变化。     

氢氘比的测量和粒子再循环

利用多道光学分析仪测量了HT－7托卡马克的氢氘比。通过一个简化模型讨论了氢氘比和粒子再循环的关系,并分析了氢氘比不容易控制的原因。     

Doppler spectroscopy of hydrogen and deuterium Balmer alpha line in an abnormal glow discharge

The results of hydrogen and deuterium Balmer alpha line shapes and line intensities study in an abnormal glow discharge are reported and analyzed. The Doppler shifts along line wings are used to determine energies of excited hydrogen and deuterium atoms. For 12 different cathodes, intensity and shape of line wings are examined and dependence upon cathode material is determined. Tentative explanation of line wings intensity dependence is related to the sputtering of cathode material and back-scattering coefficients of incident hydrogen or deuterium ions and atoms from cathode surface. The influence of the light reflected on a cathode surface to the line shape measurements along discharge axis is considered. In hydrogen, deuterium, and Ar+3%H/sub 2/ discharges, basic mechanisms of fast hydrogen generation and excitation are studied. The shape and intensities of the H/sub /spl alpha// line profiles in pure hydrogen and in argon-hydrogen mixture may be correlated with hydrogen atom-carrier gas collision excitation cross sections. In order to assess the importance of reflected fast hydrogen atoms back scattered from the cathode surface, for the Balmer line shape formation, a simulation program is used. The results are in a qualitative agreement with Balmer line shapes observations.     

氘、氦及其混合物状态方程第一原理研究

利用量子分子动力学方法对氘、氦及其混合物的状态方程进行了研究. 计算了氦在密度0.32-5 g/cm³, 温度1000-50000 K范围内的状态方程, 并与化学模型的结果进行了比较; 同时计算了冲击Hugoniot曲线, 与气炮实验的结果符合得很好. 通过计算对分布函数及态密度, 探讨了氦在高温高压下发生金属-绝缘体转变的机理. 计算了氘在密度0.19-0.84 g/cm³, 温度20-50000 K范围内的状态方程; 并计算了理论Hugoniot状态, 由于没有考虑原子的零点运动, 在低温区, 理论结果比实验值小. 对氘氦混合物的状态方程进行了研究, 计算了温度和密度区间为100-50000 K, 0.19-0.84 g/cm³, 不同混合度下的293个状态点的状态方程. 对线性混合近似进行了考查, 结果表明线性混合近似是一个粗略的近似.     

Pioneering experiments on atomic-beam-assisted generation of drag currents in the Globus-M spherical tokamak

Research data for drag currents in the Globus-M spherical tokamak are presented. The currents are generated by injecting atomic beams of hydrogen and deuterium. Experiments were carried out in the hydrogen and deuterium plasma of the tokamak. It has a divertor configuration with a lower X-point, a displacement along the larger radius from–1.0 to–2.5 cm, and a toroidal field of 0.4 T at a plasma current of 0.17–0.23 MA. The beam is injected into the tokamak in the equatorial plane tangentially to the magnetic axis of the plasma filament with an impact diameter of 32 cm. To provide a 28-keV 0.5-MW atomic beam with geometrical sizes of 4 × 20 cm (at a power level of 1/e), an IPM-2 ion source is used. The generation of noninductive currents is detected from a rise in the loop current and a simultaneous dip of the loop voltage. The injection of the hydrogen and deuterium atomic beams into the deuterium plasma results in a noticeable and reproducible dip of the loop voltage (up to 0.5 V). Using the ASTRA transport code, a model is constructed that allows rapid calculation of noninductive currents. Calculations performed for a specific discharge confirm that the model adequately describes the effect of drag current generation.     

Deuterium transport and isotope effects in type 316L stainless steel at high temperatures for nuclear fusion and nuclear hydrogen technology applications

We present the first complete data set for the permeability, diffusivity, and solubility of both deuterium and hydrogen in 316L stainless steel (316L SS) obtained over a wide temperature range of 350–850 °C that accommodates both nuclear fusion and nuclear hydrogen technology applications. The deuterium results were also compared with the hydrogen results to estimate the isotope effect. The isotope effect ratio for diffusivity was different from the classical prediction. Furthermore, some of our results were compared with the results previously reported for 316 SS. Results and discussion are presented with an emphasis on the deuterium permeation and isotope effects.     

Method for measuring chemical diffusion coefficients in solids

Experiments were performed with temperature programmed desorption of hydrogen and deuterium adsorbates on small platinum spheres. Beyond the expected desorption peak of these adsorbates at around 300 K sample temperature an additional desorption peak at higher temperatures was observed. This additional peak is explained by the diffusion of hydrogen or deuterium atoms from the inside of the spheres to their surfaces with final desorption from these surfaces. The visibility of this second high temperature desorption peak is supported by a small diameter of the platinum spheres. Platinum spheres with diameters around 64 μm were used. The sample temperature at which the second peak was observed depends on the parameters: diameter of the platinum spheres, heating rate of the sample and chemical diffusion coefficient of hydrogen or deuterium in platinum. A theory, which assumes that the chemical diffusion coefficient can be described with an Arrhenius ansatz, was developed to simulate the occurrence of the second peak. The combination of these kinds of experiments with the theory gives a method to measure chemical diffusion coefficients. This method can be called temperature programmed diffusion. At 510 K sample temperature the diffusion coefficient 1.61×10⁻¹² m²/s of hydrogen in platinum and the diffusion coefficient 1.40×10⁻¹² m²/s of deuterium in platinum was measured.     

原子氢、氘钝化以及质子注入掺杂硅的红外吸收

用FTIR研究了原子氢、原子氘钝化掺硼硅以及质子注入掺杂单晶硅,当原子氘钝化条件不同时分别产生了1360cm^-1和1263cm^-1的[BD]对局域振动模红外吸收带,这表明氘在单晶硅的硼受主邻近有两种可能的状态。质子注入掺杂硅的红外吸收光谱与不掺杂硅的明显不同,氢原子优先结合于硼的附近,注入氢仅约1%生成光效的缺陷,而绝大部份生成无光效的中心,它们可能是氢分子。 关键词：     

氢及氘的宽区物态方程研究进展

氢是自然界最丰富的元素,是天体物理和惯性约束聚变（ICF）研究的重要对象。简要综述了国内外氢及氘宽区物态方程研究进展,特别评述了OMEGA激光装置上的最新冲击压缩 实验和理论模型的对比分析情况。在以往数据分析评估基础上,利用改进的化学自由能模型、第一原理数值模拟结果及多参数物态方程模型,构建了氢的宽区物态方程,适用温度、密度范围分别为20～108 K,10?7～2000 g/cm3。与已有多类实验如冲击压缩实验、静高压等温线实验、声速等实验结果对比表明,新构建的氢宽区物态方程具有较高的置信度,为天体物理、惯性约束聚变、国际热核实验堆等工程物理设计提供高精度的支撑数据。氢宽区物态方程的构建及验证方法亦可适用于其同位素氘,该方法构建的氘宽区物态方程与2019年最新发表的主雨贡纽、二次冲击雨贡纽数据的吻合程度明显优于当前国外模型。指出了未来研究需要关注的状态区域。