Annealing of defects in Fe after MeV Heavy ion irradiation

We report study of recovery dynamics, followed by in-situ resistivity measurement after 100 MeV oxygen ion irradiation, in cold rolled Fe at 300K. Scaling behavior with microstructural density and temperature of sample have been used to establish stress induced defects formed during irradiation as a new type of sink. The dynamics after irradiation has been shown to be due to migration of defects to two types of sinks i.e. stress induced defect as variable sinks and internal surfaces as fixed sinks. Experimental data obtained under various experimental conditions have been fitted to theoretical curves. Parameters thus obtained from fitting are employed to establish effect of electronic energy loss and temperature on recovery dynamics and stress associated with variable sinks.Comment: 12 pages, 7 figures. Europhysics Letter (in press

Structural Study of the Compound [(C10O8H2)2 (C4N2H6)].2H2O Synthesized by Hydrothermal Condition

A new metal–organic compound [(C10O8H2)2(C4N2H6)].2H2O(I) was hydrothermally synthesized from an aqueous solution of Fe (NO3)3 9H2O, (btec) (btec= 1, 2, 4, 5-benzenetetracarboxylic acid) and piperazine. Compound I crystallizes in the triclinic system with the P1 space group. The unit cell parameters are a = 8.271 Å, b = 8.500 Å, c = 9.660 Å, α = 87.12°, β = 89.53°, γ = 70.91°, Z= 2, V= 640.96(6) Å3 and Dx= 1.602g/cm3. The refinement converged into R= 0.047 and RW = 0.059. The structure, determined by single crystal X-ray diffraction, consists of two carboxyl group, piperazine and two molecules of water

Phase Transition and Electrical Properties in Cs2SeO4.Te(OH)6

Dielectric investigations in the temperature and frequency 300- 600 K and 0,1KHz–13MHz, respectively, show that cesium selenate tellurate Cs2SeO4.Te(OH)6 (CsSeTe) exhibits two phase transitions at 490 and 525 K. The a.c. complex impedance measurements performed on CsSeTe material show an important level of conductivity at high temperature, attributed to the motion of H+ proton. This behavior is in agreement with the presence of the super- protonic phase transition in CsSeTe compound at 525K. This assignment was confirmed by the analysis of the M"/M"max spectra. The temperature dependences of ε΄r and tanδ indicate that the anomaly at 490K is attributed to a ferroelectric-paraelectric phase transition. Thermal analysis at high temperature, DSC, DTA, TG,  Ms/z= 18 and Ms/z= 32 confirm the presence of the two transitions already cited, the temperature and the nature of the decomposition. Â

Size-dependent infrared properties of MgO nanoparticles with evidence of screening effect

We have investigated the infrared (IR) absorption properties of MgO nanoparticles (NPs) with the means of molecular dynamics simulations. Several size effects have been observed. We show in particular that the absorption of IR radiation does not occur predominantly through the polariton mode but preferentially through surface modes. This enhanced surface absorption is found to result from the absence of dielectric screening of the first atomic layer of the NPs. We demonstrate concomitantly that a macroscopic description of electrodynamics is inadequate to capture these unusual IR properties

Thermal analysis, X-ray diffraction, spectroscopy studies and magnetic properties of the new compound Tl2HAsO4.Te(OH)6

The Tl2HAsO4.Te(OH)6 (TlAsTe) compound crystallizes in the triclinic system P1 with unit cell parameters: a= 7.100(10) Å, b= 7.281(13) Å, c= 8.383(11) Å, α= 76.91(1)°, β= 87.16(1)°, γ= 66.96(2)°, Z= 2 and V= 388.19(1) Å3. This new structure can be described as a lamellar one with the atomic arrangement being built by planes of Te(OH)6 octahedra alterning with planes of arsenate tetrahedra. Raman and infrared spectra recorded at room temperature confirm the presence of As  and Te  groups and characterize the hydrogen bonds present in the crystal lattice. Differential scanning calorimerty shows the presence of three-phase transitions at 396 K, 408 K and 430 K present in the title compound. Typical thermal analyses, such as differential thermal analysis and thermogravimetry show that the decomposition of this material starts at about T= 445 K. Magnetization curve of Tl2HAsO4·Te(OH)6 substance have revealed a diamagnetic response overall temperature range studied

Portable implementation of a quantum thermal bath for molecular dynamics simulations

Recently, Dammak and coworkers (H. Dammak, Y. Chalopin, M. Laroche, M. Hayoun, and J.J. Greffet. Quantumthermal bath for molecular dynamics simulation. Phys. Rev. Lett., 103:190601, 2009.) proposed that the quantum statistics of vibrations in condensed systems at low temperature could be simulated by running molecular dynamics simulations in the presence of a colored noise with an appropriate power spectral density. In the present contribution, we show how this method can be implemented in a flexible manner and at a low computational cost by synthesizing the corresponding noise 'on the fly'. The proposed algorithm is tested for a simple harmonic chain as well as for a more realistic model of aluminium crystal. The energy and Debye-Waller factor are shown to be in good agreement with those obtained from harmonic approximations based on the phonon spectrum of the systems. The limitations of the method associated with anharmonic effects are also briefly discussed. Some perspectives for disordered materials and heat transfer are considered.Comment: Accepted for publication in Journal of Statistical Physic

Characterization of tribological behavior of chromium and zinc coatings electrodeposited on a steel substrate

Three coatings of decorative chromium, hard chromium and zinc, electrolytically deposited on the C45 steel substrate, are considered in this study. Experimental characterization of the tribological response of the substrate and different coatings against spherical 100Cr6 counterbody is developed with a linear reciprocating tribometer. The results show that the three coatings have similar values for the stabilized coefficient of friction which remains substantially higher than the value of the friction coefficient for the substrate. The decorative chromium coating has the lowest wear resistance. A better wear resistance is obtained with the zinc coating. The first place in terms of wear resistance is occupied by the hard chromium coating and the uncoated substrate which have similar resistance.Досліджено трибологічну поведінку трьох видів електролітичних покривів: декоративного хрому, твердого хрому та цинку, сформованих на підкладці зі сталі C45. Використано трибометр за умов зворотно-поступального руху контртіла. Виявлено, що для всіх покривів значення стабілізованого коефіцієнта тертя однакові, однак, істотно вищі, ніж для підкладки. Покрив з декоративного хрому має найнижчий опір зношуванню, а вищу зносотривкість – цинковий. Найвища зносотривкість властива покриву з твердого хрому та підкладці без покриву.Исследовано трибологическое поведение трех видов электролитических покрывов: декоративного хрома, твердого хрома и цинка, сформированных на подкладке из стали C45. Использован трибометр при условиях возвратно-поступательного движения контртела. Обнаружено, что для всех покрывов значения стабилизированного коэффициента трения одинаковые, однако, существенно выше, чем для подкладки. Покрыв из декоративного хрома обладает наиболее низким сопротивлением изнашиванию, а цинковый наиболее износостойкий. Наивысшая износостойкость свойственна покрыву из твердого хрома и подкладке без покрыва

The effect of B and Si additions on the structural and magnetic behavior of Fe-Co-Ni alloy prepared by high-energy mechanical milling

Nanocrystalline Fe50Co25Ni15X10 (X = Bamorphous, Bcrystalline, and Si) powdered alloys were prepared by mechanical alloying process. Morphological, microstructural, and structural characterizations of the powders milled several times were investigated by scanning electron microscopy and X-ray diffraction. The final crystallographic state strongly depends on the chemical composition and the grinding time; it can be single-phase or two-phase. The crystallite size reduction down the nanometer scale is accompanied by the introduction of high level of lattice strains. The dissolution of Co, Ni, B (amorphous and crystalline), and Si into the α-Fe lattice leads to the formation of highly disordered Fe-based solid solutions. Coercivity (Hc) and the saturation magnetization (Ms) of alloyed powders were measured at room temperature by a vibration sample magnetization. The magnetic measurements show a contrasting Ms and (Hc) in all alloy compositions. Conclusively, soft magnetic properties of nanocrystalline alloys are related to various factors such as metalloid addition, formed phases, and chemical compositions

Characterization of Mechanically Alloyed Nanocrystalline Fe(Al): Crystallite Size and Dislocation Density

A nanostructured disordered Fe(Al) solid solution was obtained from elemental powders of Fe and Al using a high-energy ball mill. The transformations occurring in the material during milling were studied with the use of X-ray diffraction. In addition lattice microstrain, average crystallite size, dislocation density, and the lattice parameter were determined. Scanning electron microscopy (SEM) was employed to examine the morphology of the samples as a function of milling times. Thermal behaviour of the milled powders was examined by differential scanning calorimetry (DSC). The results, as well as dissimilarity between calorimetric curves of the powders after 2 and 20 h of milling, indicated the formation of a nanostructured Fe(Al) solid solution