Effects of the primary recoil spectrum on long-range migration of defects

Abstract

For quantitative predictions and comparisons of microstructures that evolve during exposure to different radiation environments at elevated temperature one needs to develop methods that go beyond those based on the number of displacements per atom. The number of freely migrating defects that contribute to the microstructural development is far less than the total number of defects produced, as has been recognized for some time from measurements of radiation-induced segregation and of radiation-enhanced diffusion. Defect production in various neutron and ion irradiation environments is discussed in light of this fact. A method to calculate the fraction of freely migrating defects from the cluster size distribution of defects produced in cascades is suggested. The results are in good agreement with available data.     

Wigner dynamics of quantum semi-relativistic oscillator

The integral Wigner–Liouville equation describing time evolution of the semi-relativistic quantum 1D harmonic oscillator have been exactly solved by combination of the Monte Carlo procedure and molecular dynamics methods. The strong influence of the relativistic effects on the time evolution of the momentum, velocity and coordinate Wigner distribution functions and the average values of quantum operators have been studied. Unexpected ‘protuberances’ in time evolution of the distribution functions were observed. Relativistic proper time dilation for oscillator have been calculated.     

Correlation between the negative magnetoresistance effect and magnon excitations in single-crystalline CuCr1.6V0.4Se4

Structural, electrical and magnetic measurements, as well as electron spin resonance (ESR) spectra, were used to characterise the single-crystalline CuCr_1.6V_0.4Se₄ spinel and study the correlation between the negative magnetoresistance effect and magnon excitations. We established the ferromagnetic order below the Curie temperature T _C ≈ 193 K, a p-type semiconducting behaviour, the ESR change from paramagnetic to ferromagnetic resonance at T _C, a large ESR linewidth value and its temperature dependence in the paramagnetic region. Electrical studies revealed negative magnetoresistance, which can be enhanced with increasing magnetic field and decreasing temperature, while a detailed thermopower analysis showed magnon excitations at low temperatures. Spin–phonon coupling is explained within the framework of a complex model of paramagnetic relaxation processes as a several-stage relaxation process in which the V³⁺ ions, the exchange subsystem and conduction electron subsystem act as the intermediate reservoirs.     

Symmetry-breaking in local Lyapunov exponents

Integrable dynamical systems, namely those having as many independent conserved quantities as freedoms, have all Lyapunov exponents equal to zero. Locally, the instantaneous or finite time Lyapunov exponents are nonzero, but owing to a symmetry, their global averages vanish. When the system becomes nonintegrable, this symmetry is broken. A parallel to this phenomenon occurs in mappings which derive from quasiperiodic Schr?dinger problems in 1-dimension. For values of the energy such that the eigenstate is extended, the Lyapunov exponent is zero, while if the eigenstate is localized, the Lyapunov exponent becomes negative. This occurs by a breaking of the quasiperiodic symmetry of local Lyapunov exponents, and corresponds to a breaking of a symmetry of the wavefunction in extended and critical states. Received 25 October 2001 / Received in final form 8 December 2001 Published online 2 October 2002 RID="a" ID="a"e-mail: r.ramaswamy@mail.jnu.ac.in     

Magnetic Study of Doped Ba Ferrites Prepared by Citrate Method

The M-type barium ferrite is doped with either Co²⁺-Ti⁴⁺ or Co²⁺-Zr⁴⁺ pairs to reduce its intrinsically high uniaxial magnetic anisotropy in order to make fine particles for magnetic recording. The magnetic parameters were investigated by magnetic measurements and the Mössbauer spectroscopy. Compounds (BaF) obtained from BaCo _x (Ti,Zr) _x Fe_12-2x O₁₉ with 0x1.0 have been prepared by the modified citrate method with the initial ratio of Ba:Fe equal to 1:10.8. The substitution of Co - Ti or Co - Zr for Fe³⁺ ions affects mainly the positions 2a and 4f ₂. Ba ferrite with the substitution x 0.8 is promising for perpendicular recording media applications.     

Nuclear quantum effects in liquid water from path-integral simulations using an ab initio force-matching approach

We have applied path integral simulations, in combination with new ab initio based water potentials, to investigate nuclear quantum effects in liquid water. Because direct ab initio path integral simulations are computationally expensive, a flexible water model is parameterised by force-matching to density functional theory-based molecular dynamics simulations. Static and dynamic properties of liquid water at ambient conditions are presented and the role of nuclear quantum effects, exchange-correlation functionals and dispersion corrections are discussed in regards to reproducing the experimental properties of liquid water.     

Dynamic mechanical and morphological studies of homopolymer/block copolymer blends

A triblock copolymer of styrene-butadiene-styrene (SBS) was blended with a high and a low molecular weight polybutadiene [designated as PB(H) and PB(L), respectively]. Electron micrographs of these blends show that PB(L) was solubilized into the butadiene domains of the SBS, while PB(H) was present in a separate phase. Dynamic mechanical data of the SBS&PB(L) blends indicate the presence of an intermediate loss peak between those of the glass transitions of the styrene and butadiene blocks in SBS, which can be attributed to the slippage of untrapped entanglements of PB(L) chains. Similar data for blends containing PB(H) also show an intermediate loss peak, which is, however, due to crystallization and melting of the polycisbutadiene chains. The peak due to the primary glass transition of the butadiene phase was shifted to lower temperatures upon incorporation of PB(L) as a result of plasticization effect of PB(L). The same transition for PB(H) blends is split into a doublet because of the presence of the homopolymer in a separate phase. Dynamic mechanical data for cross-linked blends were also taken for comparison.     

Structural, electronic, and optical properties of ZnOl_xSex alloys using first-principles calculations

The structural, electronic, and optical properties of binary ZnO, ZnSe compounds, and their ternary ZnOl_xSex alloys are computed using the accurate full potential linearized augmented plane wave plus local orbital （FP-LAPW ＋ lo） method in the rocksalt （B 1） and zincblende （B3） crystallographic phases. The electronic band structures, fundamental energy band gaps, and densities of states for ZnO1_xSex are evaluated in the range 0 〈 x 〈 1 using Wu-Cohen （WC） generalized gradient approximation （GGA） for the exchange-correlation potential. Our calculated results of lattice parameters and bulk modulus reveal a nonlinear variation for pseudo-binary and their ternary alloys in both phases and show a considerable deviation from Vegard＇s law. It is observed that the predicted lattice parameter and bulk modulus are in good agreement with the available experimental and theoretical data. We establish that the composition dependence of band gap is semi-metallic in B1 phase, while a direct band gap is observed in B3 phase. The calculated density of states is described by taking into account the contribution of Zn 3d, O 2p, and Se 4s, and the optical properties are studied in terms of dielectric functions, refractive index, reflectivity, and energy loss function for the B3 phase and are compared with the available experimental data.     

Disorder induced granularity in an amorphous superconductor

We present experimental evidence that shows that the transport mechanism on the insulating side of the superconductor to insulator transition may be modified by the presence of small “droplets” of non-percolating superconducting regions. From the conductivity point of view, the system behaves as a granular system despite the fact that the underlying structure is essentially amorphous.