Search results for "Diffusion"

Diffusion-Driven Formation of MoS2 Nanotube Bundles Containing MoS2 Nanopods

2011

MoS2 nanotube bundles, along with embedded nested fullerenes, were formed in a gas-phase reaction of molybdenum carbonyl and H2S gas with the assistance of I2. The amorphous Mo-S-I precursor particles obtained by quenching a modified metal organic chemical vapor deposition (MOCVD) reaction in a large temperature gradient were annealed at elevated temperature in an inert atmosphere. Under the influence of the iodine, the amorphous precursor formed a surface film with an enhanced mobility of the molybdenum and sulfur components. Point defects within the MoS2 layers, combined with the enhanced surface diffusion, lead to a scrolling of the inherently unstable MoS2 lamellae. The role of the reac…

Mechanical properties and accommodation processes on metallic interfaces

1998

Bimetallic joints Al/Pb, Al/Sn, Pb/Sn, Pb/Pb, etc. with clean interfaces, obtained by a special cold welding method, are used as a model of phase boundaries for investigation of accommodation processes and strength properties of interfaces. To reduce the volume diffusion-induced relaxation processes, investigations were carried out at relatively low temperatures 0.1-0.5 T m . The role of surface diffusion and the effect of phase boundary energy on the healing of micropore ensembles on interfaces was investigated. The accommodation processes on the phase boundaries are considered as a result of mechanoactivation of both the interaction and structure formation of such non-equilibrium systems.…

Monte Carlo Calculations on Phase Transitions in Adsorbed Layers

2007

Non-Arrhenius Behavior of Surface Diffusion Near a Phase Transition Boundary

1997

We study the non-Arrhenius behavior of surface diffusion near the second-order phase transition boundary of an adsorbate layer. In contrast to expectations based on macroscopic thermodynamic effects, we show that this behavior can be related to the average microscopic jump rate which in turn is determined by the waiting-time distribution W(t) of single-particle jumps at short times. At long times, W(t) yields a barrier that corresponds to the rate-limiting step in diffusion. The microscopic information in W(t) should be accessible by STM measurements.

Comment on “Finite-size scaling behavior of the tracer surface diffusion coefficient near a second-order phase transition” by F. Nieto et al.

2000

Anomalous surface diffusion of protons on lipid membranes.

2014

AbstractThe cellular energy machinery depends on the presence and properties of protons at or in the vicinity of lipid membranes. To asses the energetics and mobility of a proton near a membrane, we simulated an excess proton near a solvated DMPC bilayer at 323 K, using a recently developed method to include the Grotthuss proton shuttling mechanism in classical molecular dynamics simulations. We obtained a proton surface affinity of −13.0 ± 0.5 kJ mol−1. The proton interacted strongly with both lipid headgroup and linker carbonyl oxygens. Furthermore, the surface diffusion of the proton was anomalous, with a subdiffusive regime over the first few nanoseconds, followed by a superdiffusive re…

Role of Diffusion in Superplasticity and Brittleness of Fine-Grained Binary Eutectics

2005

Mechanical properties of interphase boundaries (IB), stability of defects and microstructure in heavily deformed binary eutectics (Al-Sn, Zn-Sn, Pb-Sn, Cd-Sn, Bi-Sn) have been investigated at room temperature. Experiments were carried out on atomically clean surfaces of alloys and on bimetallic joints with clean interface. It has been shown that after severe deformation the phases are strengthened and relaxation processes occur mainly on the boundaries in all eutectics. For superplastic eutectics with low interphase boundary energy the intensive development of the diffusion – controlled processes of self- healing, sintering, segregation and enveloping were observed. These diffusion processe…

Interface Diffusion Controlled Sintering of Atomically Clean Surfaces of Metals

2003

The electronic and atomic structure of SrTiO3, BaTiO3, and PbTiO3(001) surfaces: Ab initio DFT/HF hybrid calculations

2005

In our first-principles study, the electronic properties of the (001) surfaces of three key perovskite crystals, namely SrTiO"3 (STO), BaTiO"3 (BTO), and PbTiO"3 (PTO), have been calculated by means of the density functional theory (DFT) using the exchange-correlation functional containing ''hybrid'' of the non-local Hartree-Fock (HF) exchange, DFT exchange, and Generalized Gradient Approximation (GGA) correlation functionals, commonly known as B3PW. Such a technique allows us to get the optical bulk band gap very close to experiment unlike previous calculations of perovskites. Special attention is paid to careful calculations of the surface rumpling and change of the distances between thre…

Competition between surface reaction and diffusion of gold deposited onto ZrTe3

2003

Abstract Surface reaction and diffusion of gold, deposited onto the (0 0 1) ZrTe 3 van der Waals (vdW) surface, is studied by transmission electron and scanning tunneling microscopy. It is shown that both processes compete at temperatures as low as room temperature. In case of diffusion the deposited gold mostly disappears from the surface and intercalates into the vdW gaps of the substrate. Residual unreacted gold agglomerates are rather mobile and are often displaced by the scanning tip along the [1 0 0] direction of the substrate. In case of reaction, which usually takes place at somewhat higher substrate temperatures, grains of Zr 3 Te 2 , AuTe 2 and/or Au 2 Te 3 are formed. Contrary to…