scholarly journals Simulation of Mechanical Deformation and Tribology of Nano-Thin Amorphous Hydrogenated Carbon (a:Ch) Films Using Molecular Dynamics

1996 ◽  
Vol 436 ◽  
Author(s):  
J. N. Glosli ◽  
M. R. Philpott ◽  
J. Belak
Keyword(s):  
Molecular Dynamics ◽  
Substrate Temperature ◽  
Computer Simulations ◽  
Mechanical Deformation ◽  
Porous Graphite ◽  
Pure Carbon ◽  
Substrate Temperatures ◽  
Amorphous Hydrogenated Carbon ◽  
Deposition Energy

AbstractMolecular dynamics computer simulations are used to study the effect of substrate temperature on the microstructure of deposited amorphous hydrogenated carbon (a:CH) films. A transition from dense diamond-like films to porous graphite-like films is observed between substrate temperatures of 400K and 600K for a deposition energy of 20 eV. The dense a:CH film grown at 300K and 20 eV has a hardness (˜50 GPa) about half that of a pure carbon (a:C) film grown under the same conditions.

Deposition energy dependence in cluster-assembled thin film densities

2005 ◽  
Vol 908 ◽  
Author(s):  
Kristoffer Meinander ◽  
Tina Clauss ◽  
Kai Nordlund
Keyword(s):  
Thin Film ◽  
Thin Films ◽  
Mechanical Properties ◽  
Molecular Dynamics ◽  
Energy Dependence ◽  
Computer Simulations ◽  
Cluster Atom ◽  
Cu Nanoclusters ◽  
Deposition Energy

AbstractMechanical properties of thin films grown by nanocluster deposition are highly dependent on the energy at which the clusters are deposited. Using molecular dynamics computer simulations we have quantitatively studied variations in the properties of copper thin films grown by deposition of Cu nanoclusters, at energies ranging from 5 meV to 10 eV per cluster atom, on a Cu (100) substrate.

Observations on the growth of barium bismuth oxide thin films

1992 ◽  
Vol 50 (1) ◽  
pp. 76-77
Author(s):  
M G. Norton ◽  
E.S. Hellman ◽  
E.H. Hartford ◽  
C.B. Carter
Keyword(s):  
Substrate Temperature ◽  
Deposition Process ◽  
Nucleation Layer ◽  
Second Stage ◽  
Device Applications ◽  
High Transition ◽  
Substrate Temperatures ◽  
Oriented Material ◽  
Barium Bismuth ◽  
Superconductor Device

The bismuthates (for example, Ba1-xKxBiO3) represent a class of high transition temperature superconductors. The lack of anisotropy and the long coherence length of the bismuthates makes them technologically interesting for superconductor device applications. To obtain (100) oriented Ba1-xKxBiO3 films on (100) oriented MgO, a two-stage deposition process is utilized. In the first stage the films are nucleated at higher substrate temperatures, without the potassium. This process appears to facilitate the formation of the perovskite (100) orientation on (100) MgO. This nucleation layer is typically between 10 and 50 nm thick. In the second stage, the substrate temperature is reduced and the Ba1-xKxBiO3 is grown. Continued growth of (100) oriented material is possible at the lower substrate temperature.

Effect of Substrate Temperature and Incident Energy for Alloyzation of Co onto Cu(001) Substrate

2008 ◽  
Vol 47-50 ◽  
pp. 375-378 ◽  
Author(s):  
Zheng Han Hong ◽  
Shun Fa Hwang ◽  
Te Hua Fang
Keyword(s):  
Molecular Dynamics ◽  
Distribution Function ◽  
Substrate Temperature ◽  
Radial Distribution Function ◽  
Radial Distribution ◽  
Incident Energy

The mixing situation of Co atoms implanting onto Cu(001) substrate is investigated with regard to incident energy and substrate temperature by molecular dynamics. The results indicate that higher substrate temperature and/or incident energy will result in higher intermixing between the incident atoms and the substrate atoms. Furthermore, the value of the first peak of the radial distribution function (RDF) becomes lower and wider for the Co-Cu system as the substrate temperature and/or incident energy are increased.

Properties of carbon films deposited by pulsed laser vaporization from pyrolytic graphite

1989 ◽  
Vol 4 (5) ◽  
pp. 1238-1242 ◽  
Author(s):  
A. P. Malshe ◽  
S. M. Chaudhari ◽  
S. M. Kanetkar ◽  
S. B. Ogale ◽  
S. V. Rajarshi ◽  
...  
Keyword(s):  
Substrate Temperature ◽  
Pyrolytic Graphite ◽  
Carbon Films ◽  
Laser Vaporization ◽  
Film Properties ◽  
Amorphous Carbon Films ◽  
Resistivity Measurements ◽  
Laser Raman ◽  
Quartz Substrates ◽  
Substrate Temperatures

Amorphous carbon films have been deposited on silicon 〈111〉 and quartz substrates by pulsed ruby laser vaporization from pyrolytic graphite. Depositions have been carried out at different substrate temperatures, and the properties of the deposited carbon films have been studied using IR and UV–VIS transmission, ellipsometry, and laser-Raman spectroscopies. Chemical and electrical resistivity measurements have also been performed. It is shown that the film properties depend critically on the substrate temperature and that at the substrate temperature of 50 °C films with substantial proportion of sp3 hybridized orbitals are obtained.

Properties of Al Films Depend on Substrate Temperature by DC Magnetron Sputter Deposition

2013 ◽  
Vol 662 ◽  
pp. 413-416
Author(s):  
Yi Shen ◽  
Ruo He Yao
Keyword(s):  
Grain Size ◽  
Film Thickness ◽  
Substrate Temperature ◽  
Sheet Resistance ◽  
Cross Section ◽  
Sputter Deposition ◽  
Surface Profiling ◽  
Magnetron Sputter Deposition ◽  
Magnetron Sputter ◽  
Substrate Temperatures

Al films were prepared by DC magnetron sputter deposition at different substrate temperatures. The sheet resistance of the films was measured by four point probe sheet resistance meter, and the film thickness, which was obtained by surface profiling system. The surface and cross-section morphology of the films was observed by AFM and FESEM. As a result, the resistivity of the films decreases obviously as the substrate temperature increases gradually. The higher substrate temperature is, the rougher the films surface is and the larger the grain size is.

EFFECTS OF STOICHIOMETRY ON PROPERTIES OF DGEBF/DETDA EPOXY USING MOLECULAR DYNAMICS

2021 ◽  
Author(s):  
SAGAR PATIL ◽  
MICHAEL OLAYA ◽  
PRATHAMESH DESHPANDE ◽  
MARIANNA MAIARÙ ◽  
GREGORY ODEGARD
Keyword(s):  
Mechanical Properties ◽  
Molecular Dynamics ◽  
Molecular Modeling ◽  
Bulk Modulus ◽  
Mass Density ◽  
Strong Dependence ◽  
Crosslinking Density ◽  
Mechanical Deformation ◽  
Epoxy System ◽  
Reactive Interface

This article details the molecular modeling of full and off-stoichiometry models of the DGEBF/DETDA epoxy system using Molecular Dynamics to predict the mechanical properties as a function of the crosslinking density. The Reactive Interface Force Field (IFF-R) is implemented in this work to simulate mechanical deformation. The “fix bond/react” command in LAMMPS is used to simulate crosslinking between epoxy monomers. The results show that the predicted mass density, volumetric shrinkage, and bulk modulus have a strong dependence on the stoichiometry of the epoxy.

Computer Simulation Studies of Fracture in Vitreous Silica

2002 ◽  
Vol 731 ◽  
Author(s):  
Romulo Ochoa ◽  
Michael Arief ◽  
Joseph H. Simmons
Keyword(s):  
Molecular Dynamics ◽  
Computer Simulation ◽  
Computer Simulations ◽  
Silica Glass ◽  
Vitreous Silica ◽  
Uniaxial Strain ◽  
Force Function ◽  
Simulation Studies ◽  
Previous Fracture ◽  
Computer Simulation Studies

AbstractWe conduct molecular dynamics computer simulations of fracture in silica glass using the van Beest, Kramer, and van Santen model. Stress is applied by uniaxial strain at different pulling rates. Comparisons with previous fracture simulations of silica that used the Soules force function are presented. We find that in both models stress is relieved by rotation of the (SiO4)-2 tetrahedrons, increasing Si-O-Si bonding angles, and only small changes in the tetrahedron dimensions and O-Si-O angles.

Effect of Substrate Temperature on the Electrochromic Properties of Cobalt Hydroxide Thin Films Prepared by Reactive Sputtering

2011 ◽  
Vol 1328 ◽  
Author(s):  
KyoungMoo Lee ◽  
Yoshio Abe ◽  
Midori Kawamura ◽  
Hidenobu Itoh
Keyword(s):  
Thin Films ◽  
Substrate Temperature ◽  
Indium Tin Oxide ◽  
Large Change ◽  
Amorphous Structure ◽  
Cobalt Hydroxide ◽  
X Ray Diffraction ◽  
X Ray ◽  
Glass Substrates ◽  
Substrate Temperatures

ABSTRACTCobalt hydroxide thin films with a thickness of 100 nm were deposited onto glass, Si and indium tin oxide (ITO)-coated glass substrates by reactively sputtering a Co target in H2O gas. The substrate temperature was varied from -20 to +200°C. The EC performance of the films was investigated in 0.1 M KOH aqueous solution. X-ray diffraction (XRD) and Fourier transform infrared (FTIR) spectroscopy of the samples indicated that Co3O4 films were formed at substrate temperatures above 100°C, and amorphous CoOOH films were deposited in the range from 10 to -20°C. A large change in transmittance of approximately 26% and high EC coloration efficiency of 47 cm2/C were obtained at a wavelength of 600 nm for the CoOOH thin film deposited at -20°C. The good EC performance of the CoOOH films is attributed to the low film density and amorphous structure.

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