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Modern physics letters. B, Condensed matter physics, statistical physics, applied physics, ISSN 1793-6640, 2018, Volume 32, Issue 33, p. 1850408
In order to study the initial nucleation and growth process of the films, a two-dimensional (2D... 
nucleation growth | fractal dimension | Diffusion-limited aggregation | thin film | 2D DLA | PHYSICS, CONDENSED MATTER | PHYSICS, APPLIED | PHYSICS, MATHEMATICAL | Thin films | Models | Dielectric films | Analysis
Journal Article
Physical Chemistry Chemical Physics, ISSN 1463-9076, 5/2017, Volume 19, Issue 21, pp. 13658 - 13663
Chromia (α-Cr 2 O 3 ) is one of the most technologically important oxides, as it is the basis behind the passivation of many structural materials like... 
THIN-FILMS | CR2O3 | MOLECULAR-DYNAMICS | SELF-DIFFUSION | OXIDE | GROWTH-MECHANISM | MINIMUM ENERGY PATHS | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | SADDLE-POINTS | CHEMISTRY, PHYSICAL | OXYGEN DIFFUSION | ELASTIC BAND METHOD | Ion diffusion | Oxygen | Diffusion rate | Anisotropy | Chromium oxides | Chromium | Molecular dynamics | Diffusion
Journal Article
Applied surface science, ISSN 0169-4332, 2019, Volume 465, pp. 67 - 72
...) film with varying Cu content on a ZnO(0 0 1) substrate were simulated using molecular dynamics simulations... 
MD simulation | Zn vacancy | P-type | ZnO films | SYSTEM | PHYSICS, CONDENSED MATTER | PHYSICS, APPLIED | BCC | STRUCTURAL TRANSFORMATION | FCC | SILICON | LIQUID | CHEMISTRY, PHYSICAL | POTENTIALS | GROWTH | THIN-FILM | MATERIALS SCIENCE, COATINGS & FILMS | Molecular dynamics | Zinc oxide | Alloys
Journal Article
Physical Chemistry Chemical Physics, ISSN 1463-9076, 2017, Volume 19, Issue 24, pp. 15933 - 15941
...[2,3-b: 20,30-f]thieno[3,2-b] thiophene (DNTT), is investigated using molecular dynamics simulations... 
THIN-FILMS | CONDUCTANCE | CONDUCTIVITY | NANORIBBONS | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | CHEMISTRY, PHYSICAL | SINGLE-LAYER GRAPHENE | FORCE-FIELD | HIGH-MOBILITY | FIELD-EFFECT TRANSISTORS | BILAYER HETEROSTRUCTURE | FILM GROWTH
Journal Article
Thin Solid Films, ISSN 0040-6090, 10/2013, Volume 544, pp. 496 - 499
In current work we perform molecular dynamics simulations to investigate the growth of Al thin film on Cu substrate through physical vapor deposition... 
Incident angle | Physical vapor deposition | Molecular dynamics | Microstructure | PHYSICS, CONDENSED MATTER | PHYSICS, APPLIED | MATERIALS SCIENCE, MULTIDISCIPLINARY | STRENGTH | COPPER | VAPOR-DEPOSITION | COATINGS | SURFACE | DIFFUSION | CLUSTER | MATERIALS SCIENCE, COATINGS & FILMS | WEAR-RESISTANCE | Thin films | Analysis | Dielectric films
Journal Article
Physical Review B - Condensed Matter and Materials Physics, ISSN 1098-0121, 07/2005, Volume 72, Issue 3
We employ static energy calculations and accelerated molecular dynamics (MD) simulations to study atomistic processes involved in the growth of Co on Cu(001) surfaces... 
DISTRIBUTIONS | CO THIN-FILMS | PHYSICS, CONDENSED MATTER | CU SURFACE | METALS | MOBILITY | EPITAXIAL-GROWTH | HYPERDYNAMICS | INFREQUENT EVENTS | COBALT
Journal Article
Surface Science, ISSN 0039-6028, 09/2012, Volume 606, Issue 17-18, pp. 1450 - 1457
Journal Article
Physical chemistry chemical physics : PCCP, ISSN 1463-9076, 2017, Volume 19, Issue 21, pp. 13658 - 13663
...PCCP PAPER Anisotropic ion diffusion in a-Cr 2 O 3 : an atomistic simulation study Cite this: Phys.Chem.Chem.Phys., 2017, 19,1 3 6 5 8 Penghui Cao, a Daniel... 
Journal Article
Applied Surface Science, ISSN 0169-4332, 02/2019, Volume 466, pp. 19 - 27
•Nanostructured Au thin films were produced by ns pulsed laser ablation.•Extensive modeling by FDTD of the optical properties of the film was performed.•The... 
Pulsed laser deposition | Plasmonics | Gold nanoparticle | FDTD | PHYSICS, CONDENSED MATTER | PHYSICS, APPLIED | DEPOSITION | RAMAN-SPECTROSCOPY | LIGHT-SCATTERING | CHEMISTRY, PHYSICAL | NANOPARTICLES | SERS | GROWTH | POLARIZATION | AG FILM | MORPHOLOGY | MATERIALS SCIENCE, COATINGS & FILMS | Thin films | Dielectric films | Electromagnetic fields | Analysis | Optical properties
Journal Article
Physical Chemistry Chemical Physics, ISSN 1463-9076, 06/2017, Volume 19, Issue 24, pp. 15933 - 15941
...[2,3-b:2',3'-f]thieno[3,2-b]thiophene (DNTT), is investigated using molecular dynamics simulations... 
Reduction | Vacancies | Simulation | Graphene | Phonons | Organic semiconductors | Molecular dynamics | Coupling
Journal Article
Surface Review and Letters, ISSN 0218-625X, 02/2017, Volume 24, Issue 2
Homoepitaxial growth film for (001), (110) and (111) Ni substrates is investigated by means of molecular dynamics (MD) simulation... 
nickel | Homoepitaxial growth | morphology | molecular dynamic simulation | surface roughness | CU SUBSTRATE | SYSTEM | PHYSICS, CONDENSED MATTER | INTERFACE STRUCTURE | DEPOSITION | CHEMISTRY, PHYSICAL | CO | AL THIN-FILM
Journal Article
78.