Modelling of the Texture Formation in Electro-Deposited Metal Films

1994 ◽  
Vol 343 ◽  
Author(s):  
D. Y. Li ◽  
J. A. Szpunar
Keyword(s):  
Monte Carlo ◽  
Free Energy ◽  
Surface Energy ◽  
Hydrogen Adsorption ◽  
Hexagonal Lattice ◽  
Metal Films ◽  
Two Dimensional ◽  
Texture Formation ◽  
Electrodeposition Process ◽  
Deposited Metal

ABSTRACTThe texture formation during the electrodeposition process was simulated using a Monte Carlo technique. The simulation uses a two dimensional hexagonal lattice to map the microstructure of the deposit. The criteria for the texture formation was based on the minimization of the system’s free energy. The anisotropy of surface-energy was taken into account. Since a metal’s surface energy is influenced by hydrogen adsorption, the texture of metal deposits may vary with hydrogen co-deposition.

scholarly journals Pressure dependence of solvation of non-polar solute in simple model of water

2021 ◽  
Vol 24 (3) ◽  
pp. 33604
Author(s):  
T. Urbic
Keyword(s):  
Heat Capacity ◽  
Monte Carlo ◽  
Free Energy ◽  
Pressure Dependence ◽  
Size Dependence ◽  
Pure Water ◽  
Water Model ◽  
Two Dimensional ◽  
Aqueous Solvation ◽  
Temperature And Pressure

We modelled the aqueous solvation of a nonpolar solute as a function of the radius, temperature and pressure. In this study a simple two-dimensional Mercedes-Benz (MB) water model was used in NPT Monte Carlo simulations. This model has previously been shown to qualitatively predict the volume anomalies of pure water and the free energy, enthalpy, entropy, heat capacity, and volume change in order to insert a nonpolar solute into water. Here, we extended the studies of solvation of nonpolar solute to examine the pressure dependence and broader range of temperature and size dependence. The model shows two different mechanisms, one for the solvation of large nonpolar solutes bigger than water and the second for smaller solutes.

Enhancing the hydrogen evolution activity of MoS2 basal planes and edges using tunable carbon-based supports

Nanoscale ◽  
2020 ◽  
Author(s):  
Charlie Ruffman ◽  
Calum Keith Gordon ◽  
James Thomas Alan Gilmour ◽  
Frank Donald Mackenzie ◽  
Anna L. Garden
Keyword(s):  
Density Functional Theory ◽  
Free Energy ◽  
Hydrogen Evolution ◽  
Basal Plane ◽  
Density Functional ◽  
Hydrogen Adsorption ◽  
Two Dimensional ◽  
Functional Theory ◽  
Adsorption Free Energy ◽  
Carbon Based

The hydrogen adsorption free energy (ΔGHads) on the basal plane and edges of MoS2 is studied using periodic density functional theory, with the catalyst supported by a range of two-dimensional...

Structures and crystallization of vacuum-deposited amorphous Se and Sb films

1990 ◽  
Vol 48 (4) ◽  
pp. 140-141
Author(s):  
Makoto Shiojiri ◽  
Toshiyuki Isshiki ◽  
Tetsuya Fudaba ◽  
Yoshihiro Hirota
Keyword(s):  
Monte Carlo ◽  
Electron Microscope ◽  
Monte Carlo Method ◽  
Computer Program ◽  
Radial Distribution ◽  
Film Formation ◽  
Amorphous State ◽  
Two Dimensional ◽  
Amorphous Films ◽  
Binding Condition

In hexagonal Se crystal each atom is covalently bound to two others to form an endless spiral chain, and in Sb crystal each atom to three others to form an extended puckered sheet. Such chains and sheets may be regarded as one- and two- dimensional molecules, respectively. In this paper we investigate the structures in amorphous state of these elements and the crystallization.HRTEM and ED images of vacuum-deposited amorphous Se and Sb films were taken with a JEM-200CX electron microscope (Cs=1.2 mm). The structure models of amorphous films were constructed on a computer by Monte Carlo method. Generated atoms were subsequently deposited on a space of 2 nm×2 nm as they fulfiled the binding condition, to form a film 5 nm thick (Fig. 1a-1c). An improvement on a previous computer program has been made as to realize the actual film formation. Radial distribution fuction (RDF) curves, ED intensities and HRTEM images for the constructed structure models were calculated, and compared with the observed ones.

Examination of the lubricant storing and releasing ability of thermally sprayed surfaces

2011 ◽  
Vol 2 (2) ◽  
pp. 101-105
Author(s):  
L. Fazekas ◽  
Z. S. Tiba ◽  
G. Kalácska
Keyword(s):  
Free Energy ◽  
Surface Energy ◽  
Surface Free Energy ◽  
Essential Role ◽  
Index Number ◽  
Adhesion Ability ◽  
Thermally Sprayed ◽  
Proper Operation

Abstract The lubricant storing and releasing ability of the thermally sprayed surfaces plays an essential role in the proper operation of the components. In the case of porous sprayed surfaces the lubricant storing and releasing ability depends mainly on porosity and the surface energy (adhesion susceptibility). The adhesion ability can also be expressed indirectly with an index number that is by determining the surface free energy.

Optimizing Gas-Assisted FIB Processes: The Importance of Oft-Ignored Secondary Parameters

2004 ◽  
Author(s):  
C. Rue ◽  
S. Herschbein ◽  
C. Scrudato ◽  
L. Fischer ◽  
A. Shore
Keyword(s):  
Focused Ion Beam ◽  
Vacuum Chamber ◽  
Ion Beam ◽  
Memory Capacity ◽  
Metal Films ◽  
Deposited Metal ◽  
Influence Process ◽  
Focused Beams ◽  
Gas Pressures

Abstract The efficiency of Gas-Assisted Etching (GAE) and depositions performed using the Focused Ion Beam (FIB) technique is subject to numerous factors. Besides the wellknown primary parameters recommended by the FIB manufacturer (pixel spacing, dwell time, and gas pressures), certain secondary factors can also have a pronounced effect on the quality of these gas-assisted FIB operations. The position of the gas delivery nozzle during XeF2 mills on silicon is examined and was found to affect both the milling speed and the texture on the floor of the FIB trench. Limitations arising from the memory capacity of the FIB computer can also influence process times and trench quality. Exposing the FIB vacuum chamber to TMCTS during SiO2 depositions is found to temporarily impede the performance of subsequent tungsten depositions, especially following heavy or prolonged TMCTS exposure. A delay period may be required to achieve optimal tungsten depositions following TMCTS use. Finally, the focusing conditions of the ion beam are found to have a significant impact on the resistance of FIB-deposited metal films. This effect is attributed to partial milling of the deposition film due to the intense current density of the collimated ion beam. The resistances of metal depositions performed with intentionally defocused ion beams were found to be lower than those performed with focused beams.

scholarly journals On the Kirchhoff-Love Hypothesis (Revised and Vindicated)

2021 ◽  
Author(s):  
Olivier Ozenda ◽  
Epifanio G. Virga
Keyword(s):  
Free Energy ◽  
Dimension Reduction ◽  
Three Dimensional ◽  
Energy Functional ◽  
The Other ◽  
Variational Model ◽  
Two Dimensional ◽  
Elastic Plates ◽  
Kinematic Constraint ◽  
Free Energy Functional

AbstractThe Kirchhoff-Love hypothesis expresses a kinematic constraint that is assumed to be valid for the deformations of a three-dimensional body when one of its dimensions is much smaller than the other two, as is the case for plates. This hypothesis has a long history checkered with the vicissitudes of life: even its paternity has been questioned, and recent rigorous dimension-reduction tools (based on standard $\varGamma $ Γ -convergence) have proven to be incompatible with it. We find that an appropriately revised version of the Kirchhoff-Love hypothesis is a valuable means to derive a two-dimensional variational model for elastic plates from a three-dimensional nonlinear free-energy functional. The bending energies thus obtained for a number of materials also show to contain measures of stretching of the plate’s mid surface (alongside the expected measures of bending). The incompatibility with standard $\varGamma $ Γ -convergence also appears to be removed in the cases where contact with that method and ours can be made.

scholarly journals Two-dimensional iodine-monofluoride epitaxy on WSe2

2021 ◽  
Vol 5 (1) ◽  
Author(s):  
Yung-Chang Lin ◽  
Sungwoo Lee ◽  
Yueh-Chiang Yang ◽  
Po-Wen Chiu ◽  
Gun-Do Lee ◽  
...  
Keyword(s):  
Density Functional ◽  
Surface Passivation ◽  
Hexagonal Lattice ◽  
Chemical Vapor ◽  
Growth Promoter ◽  
Two Dimensional ◽  
Epitaxial Relationship ◽  
Chemical Vapor Deposition Growth ◽  
Scanning Transmission ◽  
Great Possibility

AbstractInterhalogen compounds (IHCs) are extremely reactive molecules used for halogenation, catalyst, selective etchant, and surface modification. Most of the IHCs are unstable at room temperature especially for the iodine-monofluoride (IF) whose structure is still unknown. Here we demonstrate an unambiguous observation of two-dimensional (2D) IF bilayer grown on the surface of WSe2 by using scanning transmission electron microscopy and electron energy loss spectroscopy. The bilayer IF shows a clear hexagonal lattice and robust epitaxial relationship with the WSe2 substrate. Despite the IF is known to sublimate at −14 °C and has never found as a solid form in the ambient condition, but surprisingly it is found stabilized on a suitable substrate and the stabilized structure is supported by a density functional theory. This 2D form of IHC is actually a byproduct during a chemical vapor deposition growth of WSe2 in the presence of alkali metal halides as a growth promoter and requires immediate surface passivation to sustain. This work points out a great possibility to produce 2D structures that are unexpected to be crystallized or cannot be obtained by a simple exfoliation but can be grown only on a certain substrate.

Sign in / Sign up

Export Citation Format

Share Document