The elastic and inelastic scattering of intermediate energy protons on deuterium at small momentum transfer

The differential cross sections for the elastic and inelastic scattering of protons on deuterium have been measured for scattering angles less than 14° at 198.5, 297.6 and 456.6 MeV. These quantities were determined relative to dσ / dΩ for pp elastic scattering with a precision of typically 2%. The range of excitation energies for the (p, p') reaction was chosen to emphasize the region near the np threshold dominated by the final-state interaction in the ¹S₀ channel. Particular attention was given to the dependence on excitation energy of the spectra at 198.5 MeV to examine the sensitivity to the ¹S₀ scattering length, a_np In this paper all data are compared with a new, detailed formulation of a simple model of the reaction mechanism based on the impulse approximation. The experimental results differ from the predictions by typically 10% and the differential cross sections exhibit a sensitivity to the intermediate-energy nucleon-nucleon amplitudes. If the impulse approximation is used to estimate a_np from the data at 198.5 MeV a value of − 24.7 ± 0.4 fm is obtained.     

Diffusion of hydrogen in metals

The present status of our understanding of the diffusion of hydrogen in metals, both experimental and theoretical, is reviewed. Discussions are focused on the mechanism of diffusion of hydrogen isotopes H, D and T in f.c.c. and b.c.c. metals; the positive muon (μ ⁺) is referred to where appropriate. An up-to-date compilation of diffusion data as a function of temperature and isotope mass has been made, and a clear distinction in general diffusion behaviour in f.c.c. and b.c.c. metals is noted. Subsequently, the results obtained from the Gorsky effect, nuclear magnetic resonance and quasi-elastic neutron scattering that provide information on elementary jump processes are discussed.

A conceptual framework of the quantum diffusion of light interstitials in metals is given, including the recent Kondo theory that emphasizes the crucial importance of particle-conduction electron interactions in the diffusion process, especially at low temperatures. It is shown with the help of recent estimates of the tunneling matrix element that the overall feature of diffusion of hydrogen isotopes in b.c.c. metals as well as μ ⁺ in f.c.c. metals can be explained consistently within the frame presented here.

Finally, recent advances in the diffusion studies on hydrogen in b.c.c. metals are described. They include a re-analysis of quench-recovery experiments that manifested nearly athermal diffusion of H, D and T in Ta at low temperatures, and an enormous enhancement of the diffusivity under stress (superdiffusion) observed for H and D in V.     

Suggestion for a dibaryon resonance in the pp system

The existence of a diproton resonance is indicated by the energy dependence of Legendre expansion coefficients of P dσ/dΩ for pp elastic scattering and the structure appearing in the data of Δσ_L = σ^Tot() − σ^Tot(→). The properties of such a resonance are described.     

Thermal neutron scattering from a hydrogen-metal system in terms of a general multi-sublattice jump diffusion model—I: Theory

A Multi-Sublattice Jump Diffusion Model (MSJD) for hydrogen diffusion through interstitial-site lattices is presented. The MSJD approach may, in principle, be considered as an extension of the Rowe et al.[1] model. Jump diffusion to any neighbours with different jump times which may be asymmetric in space is discussed. On the basis of the model a new method of calculating the diffusion tensor is advanced. The quasielastic, double differential cross section for thermal neutron scattering is obtained in terms of the MSJD model. The model can be used for systems in which interstitial jump diffusion of impurity particles occurs. In Part II the theoretical results are compared with those for quasielastic neutron scattering from the αNbH_x system.     

Magnetic phase transitions in PrCo2Si2

Magnetic phases in PrCo₂Si₂ have been studied by measurements of magnetization, neutron diffraction and electrical resistivity. For <9 K, the magnetic structure with a propagation vector k = (0,0,1) [2π/c] is stable. Incommensurate structures k = (0,0,0.926) and (0,0,0.777) appear for 9 K < T <17 K and 17 K < T <30 K, respectively.     

Two-state random walk model of lattice diffusion. 1. Self-correlation function

Diffusion with interruptions (arising from localized oscillations, or traps, or mixing between jump diffusion and fluid-like diffusion, etc.) is a very general phenomenon. Its manifestations range from superionic conductance to the behaviour of hydrogen in metals. Based on a continuous-time random walk approach, we present a comprehensive two-state random walk model for the diffusion of a particle on a lattice, incorporating arbitrary holding-time distributions for both localized residence at the sites and inter-site flights, and also the correct first-waiting-time distributions. A synthesis is thus achieved of the two extremes of jump diffusion (zero flight time) and fluid-like diffusion (zero residence time). Various earlier models emerge as special cases of our theory. Among the noteworthy results obtained are: closed-form solutions (ind dimensions, and with arbitrary directional bias) for temporally uncorrelated jump diffusion and for the ‘fluid diffusion’ counterpart; a compact, general formula for the mean square displacement; the effects of a continuous spectrum of time scales in the holding-time distributions, etc. The dynamic mobility and the structure factor for ‘oscillatory diffusion’ are taken up in part 2.     

High field magnetoresistance of CeAl2 at low temperatures

We have measured the magnetoresistance ρ(H,T₀) of the magnetic Kondo lattice CeAl₂ at temperatures T₀ in the range 0.035 – 1.3 K, well below the Néel temperature T_N=3.8 K, in magnetic fields H up to 145 k0e. The ρ vs H curve exhibits a rapid decrease between H=45–65 kOe corresponding to the metamagnetic transition at H=H_M. The resistivity then levels out to a value which depends only weakly on field and temperature. For HM a small positive magnetoresistance was observed with the derivative dρ/dH increasing as the temperature is lowered. The present results are compared with the ρ(H,T₀) data obtained for the CePb₃ magnetic Kondo lattice, where the decrease in the resistivity at HH_M was considered earlier to be evidence of field induced superconductivity.     

Diffusion of hydrogen in heterogeneous systems

The effective long-range long-time tracer diffusivity D_eff for interstitial diffusion of hydrogen through heterogeneous systems was studied theoretically for model systems consisting of isolated grains of material G embedded in a matrix of material M. Different solubilities of hydrogen in these two materials as well as different diffusivities are allowed for. Additionally, modified diffusion barriers at the phase boundaries were included in the diffusion model. The effect of different sizes, arrangements, and forms of the grains was also considered. D_eff was determined by Monte Carlo (MC) simulations on simple lattice models of the systems described above. An equilibrium distribution of hydrogen atoms among the two constituent materials was assumed. Our main interest was focused on whether and how D_eff may be related to mesoscopic or macroscopic quantities characterizing the heterogeneous system and its constituent materials, such as the volume fractions of the two materials, the fraction of lattice sites in the immediate vicinity of the phase boundary, the hydrogen concentrations c_G and c_M in the grains and in the matrix and the respective hydrogen diffusivities D_G(c_G) and D_M(c_M). In order to obtain good estimates for these relations in terms of analytic formulas, we attempted to model a heterogeneous system by a network of diffusion elements connected in series and in parallel, in analogy to an electric network. The properties of the basic connections, in parallel and in series, were studied on layered structures, for which analytic expressions for D_eff could be derived. The network formulas for different grain–matrix systems were tested by comparing with results of MC simulations. In general, the network formulas describe the corresponding MC results for D_eff fairly well. It was found that differences in the hydrogen solubilities in the two phases as well as modified energy barriers at the phase boundaries may have dramatic effects on D_eff. Received: 19 September 2000 / Accepted: 6 November 2000 / Published online: 9 February 2001     

Phase transitions and electrical properties of CsH(SO4)0.76(SeO4)0.24 mixed crystals

The study by X-ray diffraction, calorimetry, vibrational and impedance spectroscopy of CsH(SO₄)_0.76(SeO₄)_0.24 new solid solution is presented. Crystals of this composition undergo two phase transitions at T = 333 and 408 K. The last one at 408 K is a superionic-protonic transition (SPT) related to a rapid [HS(Se)O₄⁻] reorientation and fast H⁺ diffusion. A sudden jump in the conductivity plot confirms the presence of this transition. Above 408 K, this high temperature phase is characterized by high electrical conductivity (7 × 10^t-3 Ω⁻ cm⁻¹) and low activation energy (E_a < 0.3 eV).     

The mechanism of the CW sodium-vapor/hydrogen laser

Measurements have been carried out to gain information on the mechanism of the cw 9 m sodium-vapor/hydrogen laser [2]. Observations were carried out on the laser excited with both cw and pulsed discharges and the low-power gain of various gas mixtures was measured using tunable diode lasers. The laser was found to oscillate with mixtures of sodium vapor with H₂, D₂ and HD, but with no other gas. On substituting D₂ for H₂ a more than three-fold increase in laser gain was observed. The results showed that most of the processes used to explain lasing action in other metal-vapor lasers were not applicable to the present case. It was concluded that the primary process which leads to the production of the population inversion involves differential quenching of the laser levels by molecular hydrogen, with the lower 3D level being quenched more efficiently than the upper 4P level. Measurements carried out on the calcium/hydrogen laser [21] with D₂ supported these conclusions.     

Modeling of hydrogen diffusion in p-type GaAs:Zn

Experimental hydrogen diffusion profiles are reported in undoped and zinc doped GaAs. Hydrogen was introduced by exposure to a hydrogen plasma. The hydrogen profiles are fit using a diffusion model which assumes that hydrogen has a donor level in the band gap and diffuses as H⁺ and H⁰ in the material. It is also assumed that H⁺ can be trapped by ionized acceptors to form neutral complexes. Good simulations are obtained in p-type GaAs for various doping levels. We find that neutral hydrogen is present with high concentration in the diffusion process and the hydrogen molecule formation is absent. The hydrogen donor level, the diffusivities of H⁺ and H⁰, the associated activation energies and the dissociation energy of the acceptor-hydrogen pairs are determined.     

NMR study of hydrogen diffusion in uranium hydride

The diffusion of hydrogen in uranium hydride is studied employing the NMR technique. From measurements of spin-spin relaxation time T₂, the activation energy for hydrogen diffusion in β-UH₃ is determined to be $\text{E}{}_{\mathrm{a}}\text{= (19.25 ± 0.4)}\text{kcal}\text{mole}$ and the preexponential factor to be A₀ ≈ 5 × 10¹⁴ Hz. It is shown that these results are in fair agreement with spin-lattice relaxation time T₁ data. Assuming that hydrogen diffusion proceeds via vacancies whose concentration is temperature dependent, it is concluded that E_a is the sum of the energies of vacancy formation and barrier height, and that A₀ contains an entropy change factor. Using vacancy concentration data calculated by Libowitz, we estimate the barrier height energy to be E_b ≈7 kcal/mole. Using a value for the frequency of hydrogen vibration v₀ determined from inelastic neutron scattering by Rush et al., we estimate the entropy change due to vacancy formation and the hydrogen atom jump to be about $\text{S}\text{k}{}_{\mathrm{B}}\text{≈3}$. Similar measurements on samples containing less hydrogen than is needed to compose stoichiometric UH₃, show that the rate of diffusion is enhanced by the presence of excess metal in the sample. The jump frequency at 500°K in UH₃ is found to be approximately 10⁶ Hz while for the two-phase samples of H/U = 2.8 and 2.5, it is larger by a factor of about 3 and 3.5, respectively.     

Van Vleck second moments and hydrogen diffusion in YH2.1--measurements and simulations

Proton magnetic resonance absorption spectra of yttrium dihydride (YH(2+x)), with x = 0.10, were recorded in the temperature ranges 4.2-310 K at 36.01 MHz and 150-400 K at 299.8 MHz. The evidence of proton self-diffusion follows from the changes of linewidth with temperature. The second moment of the resonance lines was determined from the experimental spectra and was compared with values calculated from the crystallographic data. The averaging effect of diffusion on the second moment was taken into account through Monte Carlo simulations of the diffusion process. The simulation was performed in a block of unit cells 5 x 5 x 5 with periodic boundary conditions. They compensated the effect of finite dimensions of the block. The calculated temperature dependence of the proton second moment values was fitted to the experimental ones. The fitting parameters were: the attempt frequency v0 and the activation energy Ea for hydrogen diffusion, assuming Arrhenius behavior of the jump frequencies vc = v0 exp(-Ea/k(B)T). In these preliminary studies, the Monte Carlo simulations were performed for tetrahedral-octahedral exchanges while direct tetrahedral-tetrahedral jumps were neglected for simplicity. Three models of hydrogen diffusion, differing in the maximum jump lengths allowed for a given model, were considered. These lengths were taken as the distances from the hydrogen attempting to jump to the first (1NN), second (2NN), and third (3NN) nearest neighbor position able to accept the jumping atom. Assuming the same attempt frequency v0 = 6.0 x 10(12)s(-1) for all three models, the activation energies giving the best fit to experimental data were 0.5, 0.54, and 0.55 eV for 1NN, 2NN, and 3NN models, respectively.     

The new pionic hydrogen experiment at PSI

A new high-precision determination of the strong-interaction shift (_1s) and broadening (Γ_1s) of the ground state in pionic hydrogen (πH) has been started at PSI [1]. This constitutes a direct measurement of the πN scattering lengths a⁺ and a⁻ and is an important test of the methods of chiral perturbation theory.     

The probability of non-radiative decay of the 3d level in muonic Np

The X-ray spectrum of muonic ²³⁷Np has been investigated with stopped muons in a NpO₂ target, containing about 10 g of ²³⁷Np. The probability of the radiationless muonic 3d→1s transition in ²³⁷Np, (9±4)%, was obtained by comparing the relative intensities of the main muonic X-ray transitions in singles and coincidence spectra. The coincidences were gated by the 2p→1s transitions.     

InOOH压致氢键对称化及其弹性性质

利用第一性原理研究了InOOH在高压下的氢键对称化行为及其对InOOH弹性等性质的影响.结果表明约在18 GPa时InOOH中的氢键发生了对称化转变,导致轴比率b/c对压力的斜率由负值变为正值;压缩弹性常数、非对角弹性常数、体积模量和纵波波速出现异常增加,如体积模量增加了20%—40%.高压下InOOH弹性性质呈现出更加明显的各向异性.常压下InOOH呈现韧性,且伴随着氢键对称化韧性异常增加.对畸变金红石型MOOH(M=Al,In,Ga,Fe,Cr)化合物在高压下的弹性性质转变与氢键性质转变的耦合规律进行了初探.     

以团簇加连接原子模型解析Cr-C共晶成分

Cr-C体系材料是重要硬质防护涂层的代表,具有共晶特征.我们的前期工作指出,共晶合金满足双团簇近程序结构模型,由两种稳定液体亚单元构成,各自满足理想非晶团簇成分式,这里的第一近邻团簇来自相关共晶相.显然共晶成分解析的关键在于获得团簇,而相结构中往往存在多种团簇,进入到非晶/共晶团簇成分式的主团簇定义是关键环节.本文通过应用Friedel振荡理论及原子密堆,以团簇分布的球周期性及孤立度为判据,以Cr-C共晶相为例,进一步细化了共晶相中的主团簇选择流程,再搭配以2,4或6个连接原子,获得了描述共晶成分Cr_(86)C_(14)和Cr_(67.4)C_(32.6)的双团簇成分式:[Cr-Cr_(14)+C-Cr_9]Cr C_3和[C-Cr_9+C-Cr_8]C_6,其中四种团簇分别来自共晶相Cr,Cr_(23)C_6,Cr_7C_3和Cr_3C_2.该工作进一步证实了团簇加连接原子模型在共晶点解析中的普适性,并从理论上支持了相关的材料设计.     

Significance of self-trapping on hydrogen diffusion

The diffusion rate of hydrogen in Nb was calculated using ab?initio molecular dynamics simulations. At low temperatures the hydrogen is strongly trapped in a local strain field which is caused by the elastic response of the lattice. At elevated temperatures, the residence time (τ) of hydrogen in an interstitial site is not sufficient for fully developing the local strain field. This unbinding of the interstitial hydrogen and the strain field increases the hopping rate (1/τ) at elevated temperatures (>400 K). These results call for a revision of the conceptual framework of diffusion of hydrogen in transition metals at elevated temperatures.