Search results for "Diffusion"
showing 10 items of 1615 documents
(La0.8Sr0.2)(Mn1−yFey)O3±δ oxides for ITSOFC cathode materials?
2005
The oxygen transport properties in (La 0.8 Sr 0.2 )(Mn 1-y Fe y )O 3±δ (LSMF) with various iron contents y = 0, 0.2, 0.5, 0.8 and 1 were determined by the IEDP technique. Both oxygen diffusion and surface exchange coefficients were found to be greater for y = 0.8 and 1 than those of LSM (y=0). Moreover, for y ≤0.5, grain boundary diffusion was the rate limiting step especially at lower temperatures. Thus, in the LSMF perovskite materials, the oxygen diffusion via oxygen vacancies is enhanced by Fe. The LSMF electrical performances were measured by impedance spectroscopy. Compared to LSM and LSF (y= 1), porous LSMF cathodes with y= 0.2-0.8 exhibit poor electronic conductivity: Fe, by reducin…
Shape memory NiTi thin films deposited at low temperature
1999
Abstract NiTi shape memory alloy (SMA) thin films have the potential to become high performance actuators for micro-electromechanical systems. Low temperature crystallized NiTi films would ensure a good compatibility with microelectronic processes and polymers. To avoid the drawbacks induced by annealing, we have tried to obtain low temperature crystallized RF sputtered NiTi films by optimising deposition parameters. We have found that NiTi films containing an excess of Ti (∼52%) were crystallized when deposited on Si(100) substrates heated up to only 473 K. NiTi/Si(n) Schottky diodes I–V characteristics showed a temperature dependence indicating structural transition in the NiTi electrode.…
Au nanowire junction breakup through surface atom diffusion.
2018
Metallic nanowires are known to break into shorter fragments due to the Rayleigh instability mechanism. This process is strongly accelerated at elevated temperatures and can completely hinder the functioning of nanowire-based devices like e.g. transparent conductive and flexible coatings. At the same time, arranged gold nanodots have important applications in electrochemical sensors. In this paper we perform a series of annealing experiments of gold and silver nanowires and nanowire junctions at fixed temperatures 473, 673, 873 and 973 K (200 degrees C, 400 degrees C, 600 degrees C and 700 degrees C) during a time period of 10 min. We show that nanowires are especially prone to fragmentatio…
Characterizing the Glassy Phase of a Statistical Copolymer Monolayer
1999
Monolayers of a statistical copolymer with a poly(methacrylate) chain and hydrophilic and hydrophobic side groups are investigated at the air/water interface. The isotherms suggest a fluid and a frozen phase. With in-situ X-ray reflectivity the monolayer thickness is determined to be 2.5 nm or less. The shear viscosity in the fluid phase is extremely high yet can be described in the framework of the free area model. However, the parameter which characterizes the overlap of holes available for a diffusing monomer unit is a factor of 2 higher than expected, suggesting local diffusion barriers formed by nanosized clusters. In the glassy phase single-molecule fluorescence shows anomalous diffus…
A full-atom multiscale modelling for sodium chloride diffusion in anion exchange membranes
2021
Abstract A novel full-atom multiscale method, combining different computational approaches and aimed to describe diffusion of multiple ions in anion exchange membranes (AEM), is presented. The method is used to evaluate diffusion of chloride and sodium ions in polysulfone tetramethylammonium (PSU-TMA) membranes, with particular attention to the co-ion diffusion. The hydration of the PSU-TMA is computed as a function of the membrane ionic exchange capacity via Density Functional Theory (DFT) and used for carrying out molecular dynamics simulations (MD). An upgraded DFT-based approach is proposed to obtain the atoms’ charges used in the force field for the MD simulations. Three approaches hav…
On the adoption of the Monte Carlo method to solve one-dimensional steady state thermal diffusion problems for non-uniform solids
2013
Abstract The present paper is focussed on the investigation of the potential adoption of the Monte Carlo method to solve one-dimensional, steady state, thermal diffusion problems for continuous solids characterised by an isotropic, space-dependent conductivity tensor and subjected to non-uniform heat power deposition. To this purpose the steady state form of Fourier’s heat diffusion equation relevant to a continuous, heterogeneous and isotropic solid, undergoing a space-dependent heat power density has been solved in a closed analytical form for the general case of Cauchy’s boundary conditions. The thermal field obtained has been, then, put in a peculiar functional form, indicating that it …
Molecular dynamics investigation of the premelting effects of Lennard-Jones (111) surfaces
1987
Molecular dynamics simulations have been performed to study the premelting effects of noble-gas surfaces (argon) close to but below the bulk melting temperature. In particular, the increase of disorder as a function of temperature at (111) surface has been considered. The truncated Lennard-Jones (6-12) potential is used to describe the interactions between particles. Surface premelting has been analyzed by means of total energies, trajectory plots, mean sequare displacement functions, diffusion coefficients, vacancy concentrations and two-dimensional order parameters. The (111) surface starts to disorder by vacancy formation, which leads to the premelting of the surface layer far below the …
Mechanisms Involved by Reactive Elements upon High Temperature Chromia Scale Growth
2001
The influence of Y 2 O 3 , Pr 2 O 3 , Nd 2 O 3 , Sm 2 O 3 and Yb 2 O 3 coatings on Fe-30Cr alloy oxidation behaviour was investigated at 1000°C in air under atmospheric pressure. Isothermal exposures indicated that the Y 2 O 3 coating was the most protective after 100 hours. Pr 2 O 3 , Nd 2 O 3 and Sm 2 O 3 coatings were less effective, but the less beneficial effect was observed when Yb 2 O 3 coating was applied onto the Fe-Cr alloy surface. Two-stage oxidation experiments in 16 O 2 and then 18 O 2 were performed to get information about the chromia growth phenomena with and without reactive elements. The 18 O-tracer distribution was determined by secondary ion mass spectrometry (SIMS) and…
First-principles calculations of iodine-related point defects in CsPbI3
2019
Many thanks to A. Lushchik, A. Popov and R. Merkle for numerous fruitful discussions. This study was partly supported by the Latvian Council for Science (grant LZP-2018/1-0147 to EK). R.A.E acknowledges the assistance of the University Computer Center of Saint-Petersburg State University for high-performance computations.
On the Finite Element Simulation of Secondary Operations on Metallic Foams
2007
Metallic foams have been recently introduced also as industrial materials due to their well known advantages. In fact, their low mass in conjunction with the good thermal and mechanical properties push toward an extensive diffusion in manufacturing industry. In the study here addressed, a very accurate investigation concerning the latter two aspects has been carried out. In fact, a secondary manufacturing process, i.e. the foam bending, has been taken into account. Anyway, all the knowledge derived for sheet metal bending is not directly applicable to the foams. A finite element code has been utilized for modeling the foam behavior during the bending processes and an accurate material rheol…