A diffusion model of chain-branching reaction of the explosive decomposition of heavy metal azides

A diffusion model of a solid-phase chain reaction of explosive decomposition of heavy metal azides was developed. The dimensional effects of initiation of the reaction were examined: the dependence of the critical fluence of initiation on the microcrystal size H(R) and on the irradiated zone diameter H(d). It was demonstrated that the diffusion model of the chain reaction closely describes the measured H(R) dependence at diffusion coefficients of D ∼ 0.2–0.3 cm²/s, values that correspond to experimentally measured mobility of electronic charge carriers of μ ∼ 10 cm²/(V s). To account for the measured H(d) dependence and the reaction front propagation velocity (V = 1.2 km/s), it is necessary that the diffusion coefficient be three orders of magnitude higher than the experimentally determined value. That the H(R) and H(d) dependences cannot be quantitatively described simultaneously is indicative of the underlying mechanisms of energy transfer being different.     

Discrete Element Method studies of the collision of one rapid sphere on 2D and 3D packings

We performed numerical simulations of one-bead collision on the surface of a static granular medium. The simulations have been done for two- and three-dimensional packings of beads. The effect of the incident bead velocity, the shot angle, the mechanical parameters and the packing structure are analyzed for ordered and disordered 2D packings and only disordered 3D packings. The 2D results are in good agreement with experimental available data. The 3D simulations give good preliminaries results about the shock-wave propagation through the stacking and provides new insights in the ejection process (“splash function”).     

Alternative Oblique-Incidence Reflectometry for Measuring Tissue Optical Properties

To deduce the optical properties, the absorption coefficient SmU_aand reduced scattering coefficient μ’_s, of turbid medium, Lin et al. (Appl. Opt. 34 (1995) 2362) proposed an oblique incidence reflectometry in which the diffusion approximation was assumed. In this paper we propose an alternative method which does not assume the diffusion approximation but uses a Monte Carlo light propagation model. Two features are extracted from the diffuse reflectance distribution detected on the medium surface, and optical properties are then estimated by looking up the predetermined table generated by Monte Carlo simulations. The validity of the proposed method has been confirmed by computer simulations.     

Transport properties of a binary mixture of CO2ben N2 from the pair potential energy functions based on a semi-empirical inversion method

The potential energy surface of a CO₂-N₂ mixture is determined by using an inversion method, together with a new collision integral correlation [J. Phys. Chem. Ref. Data 19 1179 (1990)]. With the new invert potential, the transport properties of CO₂-N₂ mixture are presented in a temperature range from 273.15 K to 3273.15 K at low density by employing the Chapman-Enskog scheme and the Wang Chang-Uhlenbeck-de Boer theory, consisting of a viscosity coefficient, a thermal conductivity coefficient, a binary diffusion coefficient, and a thermal diffusion factor. The accuracy of the predicted results is estimated to be 2% for viscosity, 5% for thermal conductivity, and 10% for binary diffusion coefficient.     

Permeability of mixed soft and hard granular material: Hydrogels as drainage modifiers

We measure the flow of water through mixed packings of glass spheres and soft swellable hydrogel grains, at constant sample volume. Permeability values are obtained at constant sample volume and at porosities smaller than random close packing, for different glass bead diameters D and for variable gel grain diameter d, as controlled by the salinity of the water. The gel content is also varied. We find that the permeability decays exponentially in n(D/d ) ^b , where n = N _gel/N _glass is the gel to glass bead number ratio and b is approximately 3. Therefore, flow properties are determined by the volume fraction of gel beads. A simple model based on the porosity of overlapping spheres is used to account for these observations.     

Nonlinear Seebeck effect in a model granular superconductor

The change of the Josephson supercurrent density j _s of a weakly connected granular superconductor in response to externally applied arbitrary thermal gradient ∇T (nonlinear Seebeck effect) is considered within a model of 3D Josephson junction arrays. For ∇T>(∇T)_c, where (∇T)_c is estimated to be of the order of ≃10⁴ K/m for YBCO ceramics with an average grain size d≃10 μ m, the weak-links-dominated thermopower S is predicted to become strongly ∇T-dependent. Pis’ma Zh. éksp. Teor. Fiz. 67, No. 9, 650–654 (10 May 1998) Published in English in the original Russian journal. Edited by Steve Torstveit.     

Influence of isotopic substitution on the diffusion and thermal diffusion coefficient of binary liquids

The mutual mass diffusion coefficient (D) and the thermal diffusion coefficient ( D _T) of the liquids acetone, benzene, benzene-d ₁, benzene-d ₃, benzene-d ₅, benzene-d ₆, benzene- ¹³C₆, n-hexane, toluene, 1, 2, 3, 4-tetrahydronaphtalene, isobutylbenzene, and 1, 6-dibromohexane in protonated and perdeuterated cyclohexane have been measured with a transient holographic grating technique at a temperature of 25 ^°C. The mass diffusion coefficient shows a pronounced concentration dependence. Perdeuteration of cyclohexane only leads to marginal changes of the mass diffusion coefficient. The Stokes-Einstein equation describes the limiting tracer diffusion coefficients well if the solute molecule is smaller than the solvent. It is not capable to describe the small isotope effect of a few percent. On the other hand, the isotope effect, which is independent of concentration, is in agreement with the Enskog theory, that does not provide the absolute value of the mass diffusion coefficient of the liquid mixtures. The thermal diffusion coefficient of all the binary mixtures shows a moderate and almost linear concentration dependence. Its isotope effect, which is the change of D _T upon deuteration of cyclohexane, varies with mole fraction. The thermophoretic force acting on any tracer molecule in cyclohexane changes by the same amount when cyclohexane is perdeuterated, irrespective of the magnitude of the thermophoretic force before deuteration. This change of the thermophoretic force is equal but of opposite sign to the difference between the thermophoretic forces acting on cyclohexane and perdeuterated cyclohexane as tracers in any of the above liquids.     

二维颗粒流从稀疏态到密集态的临界转变

研究了斜槽中的二维颗粒流由稀疏到密集转变的临界现象.在二维颗粒槽的入口流量Q₀和出口尺寸d固定的条件下，记录并统计了稀疏流转变为密集流所经历的时间.研究发现，在统计时间内转变不发生的概率C(t)随时间指数衰减，其衰减的特征时间尺度α^-1(d)可以很好地由幂律函数a(d_c-d)^-γ来拟合，其中d_c为临界开口尺寸.此临界尺寸的存在确定了稀疏流到密集流转变的临界现象. 关键词： 颗粒物质 颗粒流 非平衡态相变 几何相变     

Cosmic ray anisotropy in fractional differential models of anomalous diffusion

The problem of galactic cosmic ray anisotropy is considered in two versions of the fractional differential model for anomalous diffusion. The simplest problem of cosmic ray propagation from a point instantaneous source in an unbounded medium is used as an example to show that the transition from the standard diffusion model to the Lagutin-Uchaikin fractional differential model (with characteristic exponent α = 3/5 and a finite velocity of free particle motion), which gives rise to a knee in the energy spectrum at 10⁶ GeV, increases the anisotropy coefficient only by 20%, while the anisotropy coefficient in the Lagutin-Tyumentsev model (with exponents α = 0.3 and β = 0.8, a long stay of particles in traps, and an infinite velocity of their jumps) is close to one. This is because the parameters of the Lagutin-Tyumentsev model have been chosen improperly.     

Theoretical study of the stereodynamics for the reaction F+HBr

The vector correlation between products and reagents for exothermic reaction F + HBr → HF + Br has been studied using a quasi-classical trajectory (QCT) method on the latest extended Lond–Eyring–Polanyi–Sato (LEPS) potential energy surface at three collision energies of 0.1 eV, 0.2 eV and 0.3 eV. Four polarization- dependent generalized differential cross-sections (2π/σ)(dσ₀₀/dω _t ), (2π/σ)(dσ₂₀/dω _t ), (2π/σ)(dσ₂₂₊/dω _t ), (2π/σ)(dσ_21?/dω _t ) have been presented in the centre of mass frame, respectively. The distribution of dihedral angle P(φ _r ), the distribution of angle between k and j ′ , P(θ _r ), are calculated. Both the influence of the collision energy and the influence of the reagent rotation on the product polarization have been studied in the present work, and the results indicate that the product rotational angular momentum j ′ is not only aligned, but also oriented along the direction perpendicular to the scattering plane. The orientation of the HF product rotational angular momentum vector j ′ depends very sensitively on the reagent rotation and also effected by the collision energy.     

高剂量离子注入形成的非晶层重新结晶过程中杂质外扩散的物理模型

本文提出了一个杂质沉淀引起位错生成、位错-杂质相互作用、杂质原子沿晶粒间界快速扩散的模型,用以解释高剂量离子注入形成的非晶层在重新结晶的退火过程中杂质外扩散和缺陷运动现象。给出了在位错的合应力场的影响下杂质的扩散方程。以能量为80keV,剂量为10¹⁶cm^-2的Pb⁺注入Si(111)面为例,对扩散方程进行了数学物理处理,从而给出了根据实验测量推演表观扩散系数随时间变化及位错的合应力场对杂质的作用力的纵向分布的方法。实验测得的位错合应力场对杂质的作用系数α≈8.4×10^-28dyn·cm³,退火时间在5×10³sec至8.25×10³sec内,表观扩散系数D随时间的变化为一指数关系。 关键词：     

Photothermal deflection measurement of effective gas diffusion coefficient of a porous medium

In this work, an effective gas diffusion coefficient of a porous medium was measured using photothermal deflection (PD) technique. An in-house made Loschmidt diffusion cell with a photothermal-deflection probe were employed to measure the effective gas diffusion coefficient of a gas diffusion layer (GDL) with a porosity ε ≈ 0.7. The concentration evolutions of CO₂ in O₂ with and without the GDL were measured, respectively, using a transverse normal PD technique. The concentration variations were used to deduce the gas diffusion coefficients in the presence and absence of the GDL by solving mass diffusion equations. The effective gas diffusion coefficient of the GDL was calculated from the diffusion coefficients using a model of an equivalent resistance to diffusion and found to be 4.39 × 10^-6 m²s^-1, demonstrating that PD technique can be employed to determine the effective gas diffusion coefficient of a porous medium.     

Transport and relaxation properties of isotopomeric hydrogen–helium binary mixtures. I. H2–He mixtures

An extensive comparison has been carried out between calculated and measured bulk properties of H₂–helium mixtures. Detailed comparisons are presented for the interaction second virial coefficient, binary diffusion, mixture shear viscosity and thermal conductivity, rotational relaxation, thermal diffusion field-effects, collision broadening of the depolarized Rayleigh light scattering spectrum, and flow birefringence. Scattering calculations have been carried out for the ab initio potential energy surfaces obtained by Tao (1994, J. chem. Phys., 100, 4947) and Schaefer and Köhler (1985, Physica A, 129, 469). The values for the various bulk gas properties calculated from these two potential surfaces are generally found to lie within or near the experimental uncertainties.     

Fast magnetic relaxation, studied by microwave absorption in neutron-irradiated YBa2Cu3O7−x ceramic

A contactless microwave method is used to measure the fast magnetic relaxation of granular ceramic samples of YBa₂Cu₃O_7−x irradiated by neutrons with fluences of 10¹⁶–10¹⁹ cm⁻². An experimental study of the time dependence of the relaxation of high-frequency (rf) absorption (f=100 MHz) after the action of an external magnetic field pulse has shown the magnetic relaxation times τ ₀ to be in the time interval of 0.5–150 ms. The rf-absorption mechanism is discussed in terms of an intergranular system with a thermally activated flux of vortices and their diffusion in the granular medium. Fiz. Tverd. Tela (St. Petersburg) 39, 977–981 (June 1997)     

Theoretical study of the dynamics for the H + Li H ( v = 0, j = 0) $\to$ H2 + Li reaction and its isotopic variants

Quasi-classical trajectory (QCT) method is carried out to calculate the dynamics of the H + LiH (v = 0, j = 0) ?\to H₂ + Li reaction and its isotopic variants based on the potential energy surface of the lowest ²A￠^2A' electronic state reported by Prudente et al. [Chem. Phys. Lett. 474, 18 (2009)]. The reaction cross-section, product rotational alignment parameter áP₂\langle P_2 ([(j￠)\vec]\vec{j'} ·\cdot [(k)\vec])?\vec{k})\rangle and one generalized polarization-dependent differential cross-section (2π/σ)(ds₀₀d\sigma_{00}/d w_t\omega_t) are calculated. We found that different collision energies and mass factors show driving influence on the process of the reactions and product molecules H₂ (HD, D₂) polarization distribution, and the trend of the isotopic effects in the high collision energy range is different to that in the low collision energy range. The calculations are also interpreted in relation to the features of the underlying potential energy surface. A comparison between the title reactions and a barrier-less reaction F + HBr ?\to FH + Br has been discussed in detail.     

Impact-induced splash and spill in a quasi-confined granular medium

The splash and spill effects caused by the impact of a ball dropped from a height into a granular medium held in a small open container are examined. Different granular media, namely rice, mustard seeds, cream of wheat and plastic beads are used. The quantity of spilled-over granular matter (W, grams) is measured as a function of the ball-drop height and compared for different cases. Digital pictures of the splash process are also recorded. The quantity W is seen to vary approximately linearly with the energy of impact. Interestingly, a distinct upward jump is seen in the spilled quantity at specific impact energy in the case of mustard seeds, which have spherical shape and also exhibit some charging effects. Similar jump was also confirmed for the case of plastic beads with broadly similar properties. Although the parameters such as mass per grain and packing density for the case of mustard seeds are intermediate between those for rice and cream of wheat, the spill quantity for comparable impact energy is considerably higher in the former case. The possible reasons for this non-monotonicity of behavior are discussed in terms of the differences in grain shapes and properties. Experiments are also performed using plastic beads of the same type but with four different sizes to explore the dependence of spilled quantity on bead size. The container size dependence is also examined for various bead types. Interesting systematics are seen, which are discussed qualitatively.     

Fluctuations of acoustic field in a granular medium

Results of an experimental study of sound propagation in a granular medium are presented. It is found that, in the case of excitation of a harmonic signal with a constant amplitude, the acoustic response of a single grain strongly varies in time. The dependence of the harmonic component amplitudes in the response spectrum on the level of signal excitation proves to be nonmonotonic and also strongly varies in time. The most intense fluctuations are observed in the subharmonic component of the propagating signal. The intensity fluctuation spectra of the harmonic components of the response are obtained for the frequency range of 10⁻⁴−10⁻¹ Hz. A possible mechanism that may be responsible for the slow fluctuations of an acoustic field in a granular medium is discussed.

     

Isotopic effects of the N(2D) + H2 → NH + H reaction: a quantum time-dependent wave packet investigation

Based on the potential energy surface reported by Li and co-workers (J. Comput. Chem. 34 1686–1696 (2013)), the dynamics calculations of N(²D)?+?H₂(v ₀?=?0, j ₀?=?0) reaction and its isotopic variants HD and D₂ are studied using time-dependent wave packet method in the collision energy range of 0.01–1.0?eV. Dynamics properties such as reaction probability, differential cross section, and integral cross section are studied at state-to-state level of theory. Present values are compared with available theoretical and experimental results. The results indicate that the integral cross sections of N(²D)?+?D₂ reaction are in general good agreement with the experimental data at collision energy below 0.15?eV. The rotational state-resolved integral cross sections of N(²D)?+?H₂/HD/D₂ reactions are compared with experimental values for the first time, with the obtained values being in good agreement with the experimental data.     

Low-temperature diffusion of gold in germanium under the influence of atomic hydrogen

An investigation is made of the diffusion of gold in germanium under the influence of the energy released by the recombination of hydrogen atoms to form molecules. Crystals of n-type germanium with gold films (d=1×10⁻⁷ m) are exposed to atomic hydrogen for various times (up to 10⁴ s) at temperatures close to room temperature. The diffusion of gold in the germanium is analyzed by laser mass spectrometry, and also by measuring the surface resistance, the minority carrier lifetime, and the infrared transmission spectra. Mechanisms are proposed for the stimulation of heterodiffusion and accompanying processes. Zh. Tekh. Fiz. 69, 73–76 (July 1999)