Hydrogen mean force and anharmonicity in polycrystalline and amorphous ice

The hydrogen mean force from experimental neutron Compton profiles is derived using deep inelastic neutron scattering on amorphous and polycrystalline ice. The formalism of mean force is extended to probe its sensitivity to anharmonicity in the hydrogen-nucleus effective potential. The shape of the mean force for amorphous and polycrystalline ice is primarily determined by the anisotropy of the underlying quasi-harmonic effective potential. The data from amorphous ice show an additional curvature reflecting the more pronounced anharmonicity of the effective potential with respect to that of ice Ih.     

Anharmonism of lattice vibrations and of acoustic wave propagation velocity in quasi-isotropic solids

Linear correlation is established in glasses between the Grüneisen parameter and the ratio of propagation velocities of the longitudinal and transverse acoustic waves. An interpretation is given within the Pineda-Kuz’menko model to the relation between the harmonic and anharmonic quantities.     

Grain size, stress, and creep in polycrystalline solids

If a stress σ is applied to a polycrystal of grain size L, the mode of creep deformation depends on the answers to the following questions: (I) Does σ exceed the Peierls stress σ_p; (II) Does L exceed the dislocation spacing in a Taylor lattice stabilized by σ_p; (III) Does Lσ exceed the value required for a Frank-Read or Bardeen-Herring source to operate within the grain? (IV) Does L ^1/2σ exceed the Hall-Petch value required for slip to propagate across a grain boundary? The (L, σ) plane is thus partitioned into regions in which different creep modes predominate.     

Phase-velocity spectra of background internal friction in polycrystalline solids

The phase-velocity spectrum of background internal friction has been shown to be a material property. The shape of such spectra seems to be different, in particular, for monophasic (e.g. pure metals) and multiphase materials (typically composites and rocks). An explanation for such difference, as yet not known, is proposed in the present work. All spectra are interpreted to be a combination of two or more simple relaxation sources, each emanating from point defect diffusion with a specific diffusion scale length and inducing dissipation into one another. The single dissipation sources are assumed to combine with the laws of linear circuits in parallel. In the case of monophasic metals a model with two sources of dissipation, one in the microstructure and the other in the lattice, fits the experimental spectra qualitatively well. For multiphase materials, including natural rocks and artificial conglomerates, which exhibit flat spectra, a continuous-source model is suggested.     

Crystal structure and mechanical strain in polycrystalline ferrite films on polycrystalline sapphire substrates

We have grown films of magnesium, lithium, zinc, and nickel-zinc ferrites, varying in thickness from 0.5 to 8 μm on polycrystalline sapphiresubstrates by coating the surface of the substrate with an aqueous nitric acid solution of salts of the elements which compose the ferrite. The lattice parameter of the ferrite film increases with the film thickness and becomes constant at thicknesses greater than 8 μm. We have determined the ratio of the theoretical strength limit to the macroscopic one in the film based on the change in the interplanar distanced ₂₂₀ and the lattice parameter calculated from it, under the assumption that the changeΔa(h)=a _∞=a(h) results from macroscopic stresses in the film. This ratio shows that whenh=1 μm the microstresses in the film are an order of magnitude smaller than the theoretical strength limit. At larger film thicknesses this macroscopic stress becomes even lower, and at the external surface of thick films it goes completely to zero. Pedagogical Institute, Viteb. Translated from Izvestiya Vysshikh Uchebnykh Zavedenii, Fizika, No. 10, pp. 30–33, October, 1996.     

Interplay between phonon confinement effect and anharmonicity in silicon nanowires

Getting light out of silicon is a difficult task since the bulk silicon has an indirect energy electronic band gap structure. It is expected that this problem can be circumvented by silicon nanostructuring, since the quantum confinement effect may cause the increase of the silicon band gap and shift the photoluminescence into the visible energy range. The increase in resulting structural disorder also causes the phonon confinement effect, which can be analyzed with a Raman spectroscopy. The large phonon softening and broadening, observed in silicon nanowires, are compared with calculated spectra obtained by taking into account the anharmonicity, which is incorporated through the three and four phonon decay processes into Raman scattering cross-section. This analysis clearly shows that the strong shift and broadening of the Raman peak are dominated by the anharmonic effects originating from the laser heating, while confinement plays a secondary role.     

Interrelation between thermodynamic processes in moving systems

A generalized principle replacing Curie’s principle is stated in terms of the 4D formalism using Lorentz transformations. The new principle establishes an interrelation between generalized thermodynamic fluxes of different tensor ranks in the velocity interval of a moving medium from zero to the speed of light in a vacuum.     

Rate of creep due to grain-boundary diffusion in polycrystalline solids with grain-size distribution

For steady-state deformation caused by grain-boundary diffusion, the macroscopic creep rate is analysed for a three-dimensional polycrystal consisting of space-filling grains, by taking into account the effects of diffusional interaction between grains, viscous grain-boundary sliding and grain-size distributions. For regular polyhedral grains, the grain–grain interactions increase the degree of symmetry of diffusional field, resulting in a decrease of the effective diffusion distance. Meanwhile, both the viscous grain-boundary sliding and the grain-size distribution are found to decrease the creep rate. At decreasing grain sizes, the influence of the viscous grain-boundary sliding becomes increasingly important, which explains the recent experimental observations that the creep rates of nanosized grains are much lower than those predicted by grain-boundary diffusion. On the effect of the grain-size distribution, the upper-bound and lower-bound creep rates are estimated.     

On the nature of plastic strain localization in solids

Theoretical and experimental investigation is performed into the relation between plastic strain localizations of different scale in solids and the respective stress concentrators arising in the surface layer and at internal interfaces. It is found that localized plastic flow of any kind may form and propagate only under strongly nonequilibrium conditions in the zones of normal tensile stress. In the presence of excessive atomic volume, virtual nodes of a structure with higher energy emerge in the space of interstitials and a local structural transformation occurs via collective atom-vacancy configuration excitations. It is concluded that the nature of the plastic flow localization should be described on the basis of representation of strained solid as a multilevel system.     

Interrelation between the integral Lagrangian and thermodynamic entropy

The states of a crystalline body near absolute zero are studied in terms of mechanics and thermodynamics. A formal correlation between the integral Lagrangian of the “mechanical“ origin and thermodynamic entropy is established.     

Modeling the strain rate-dependent constitutive behavior in nanotwinned polycrystalline metals

Experimental studies have demonstrated that both strain rate and temperature influence the mechanical behavior of nanostructured metals significantly. In this work, a theoretical model is developed to describe the strain-rate-dependent constitutive behavior of nanotwinned polycrystalline metals. The athermal flow stress and thermal-activated flow stress are both considered in modeling the plastic deformation of a nanotwinned metal. Numerical results are consistent with the experimental results, showing that the present model can well describe the strain rate-dependent deformation behavior of nanotwinned polycrystalline copper. Henceforth, the constitutive behaviors of nanotwinned copper at different strain rates and temperatures can be predicted, which will be useful for optimizing the dynamic mechanical properties at various temperatures for nanotwinned metals.     

Interrelation between ray and mode field representations in an acoustic waveguide

Some well-known results obtained by Brekhovskikh, Felsen, Tindle, Guthrie, and other authors during their studies of the interrelation between modes and rays in a plane-layered waveguide are briefly discussed. The relationships that extend these results to the case of a waveguide with large-scale inhomogeneities of the refractive index are analyzed. It is shown that in the presence of inhomogeneities, the groups of the constructively interfering modes, as in the case of a plane-layered waveguide, also form contributions of individual rays. In this case, fluctuations of the amplitudes of normal modes can be described by simple ray formulas, which are the mode analogs of the relationships of geometric optics and the smooth perturbation method.Institute of Applied Physics, Russian Academy of Sciences, Nizhny Novgorod. Translated from Izvestiya Vysshikh Uchebnykh Zavedenii, Radiofizika, Vol. 38, Nos. 1–2, pp. 115–121, January–February, 1995.     

Interrelation between electronic structure and interatomic distances for compounds

The heat capacity was studied for LaMn₂Si₂, La_0.75Y_0.25Mn₂Si₂, La_0.7Y_0.3Mn₂Si₂, YMn₂Si₂ and LaFe₂Si₂ isostructural intermetallic compounds in the temperature range 1.8–360 K. The electronic, magnetic and lattice contributions to the heat capacity of the compounds were determined and analyzed. The interrelation was found between values of the electronic contribution to the heat capacity (density of states at the Fermi level) and crystal lattice parameters of R(Mn,Fe,Ni)₂Si₂ compounds. The electronic contribution and the density of states at Fermi level increase with increasing lattice parameters of the compounds. The change of interlayer Mn–Mn exchange interactions with change of Y concentration in La_1-xY_xMn₂Si₂ compounds is not accompanied by considerable changes in the electronic contribution to the heat capacity and density of states at the Fermi level. The performed analysis of the magnetic contribution shows that no essential differences exist between the behavior of the heat capacity of the compounds with d_Mn–Mnd_c and with d_Mn–Mn<d_c upon various types of the magnetic phase transitions.     

Interrelation between electromagnetic response parameters and impact excitation characteristics in insulators

The effect of the impact energy and duration on the parameters of the electromagnetic response from concrete is studied. These two parameters are shown to affect the spectral characteristics of the response. The duration of the first pulse of the response reflects the duration of the impact excitation active stage. An impact excitation energy above 5×10^?2 J causes irreversible residual strains in concrete.     

Guest-host coupling and anharmonicity in clathrate hydrates

We present a review of our work on the dynamics of clathrate hydrates (gas hydrates). The experimental results obtained with inelastic neutron scattering are compared with molecular-dynamics calculations. The vibrations of the guest molecules and their coupling to the cages is found to depend critically on the size, shape and electrostatic properties of the encaged guest. Atoms like xenon, that are large enough to fill the cages, show close-to-harmonic behaviour and couple strongly to the cage vibrations. Small atoms and molecules fully explore the anharmonicities of the potential within the cage, in particular at low frequencies and low temperatures. Their dynamic response is broad in energy and they couple weakly to the cage vibrations. The relevance of the microscopic dynamics for cage stability and the glass-like thermal conductivity is discussed. We equally place the observed dynamic peculiarities into the broader context of vibrations in disordered systems. Raman spectroscopic results on internal guest vibrations at high frequencies reflect also the influence of guest-host interactions and are discussed in the framework of the loose-cage tight-cage model.Received: 1 January 2003, Published online: 30 October 2003PACS: 82.75.-z Molecular sieves, zeolites, clathrates, and other complex solids - 61.46. + w Nanoscale materials: clusters, nanoparticles, nanotubes, and nanocrystals - 63.20.-e Phonons in crystal lattices     

Interrelation between the threshold characteristics of erosion and spall fracture

Threshold diagrams of erosion and spall fracture are constructed based on the concept of incubation time of the fracture. It is shown that in the case of a defectless material, the incubation time can be estimated from the spallation or erosion experimental data. The temperature dependence of the threshold velocities of microparticle impact is considered. The effect of increasing the dynamic yield stress upon an increase in the surface temperature of the target material is obtained for small-size microparticles. The relationship with an analogous effect in the spallation experiments is discussed.     

Structural relationship between negative thermal expansion and quartic anharmonicity of cubic ScF3

Cubic scandium trifluoride (ScF3) has a large negative thermal expansion over a wide range of temperatures. Inelastic neutron scattering experiments were performed to study the temperature dependence of the lattice dynamics of ScF3 from 7 to 750 K. The measured phonon densities of states show a large anharmonic contribution with a thermal stiffening of modes around 25 meV. Phonon calculations with first-principles methods identified the individual modes in the densities of states, and frozen phonon calculations showed that some of the modes with motions of F atoms transverse to their bond direction behave as quantum quartic oscillators. The quartic potential originates from harmonic interatomic forces in the DO9 structure of ScF3, and accounts for phonon stiffening with the temperature and a significant part of the negative thermal expansion.