Zobrazeno 1 - 10
of 14
pro vyhledávání: '"Kazimierz Skrobas"'
Combining MD-LAMMPS and MC-McChasy2 codes for dislocation simulations of Ni single crystal structure
Autor:
Cyprian Mieszczynski, Przemyslaw Jozwik, Kazimierz Skrobas, Kamila Stefanska-Skrobas, Renata Ratajczak, Jacek Jagielski, Frederico Garrido, Edyta Wyszkowska, Alexander Azarov, Katharina Lorenz, Eduardo Alves
Publikováno v:
Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms. 540:38-44
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::9736c0edef45080e42fa1e0f9ccc3dc5
https://doi.org/10.1016/j.nimb.2023.04.010
https://doi.org/10.1016/j.nimb.2023.04.010
Autor:
Przemysław Jóźwik, Jacek Jagielski, Cyprian Mieszczynski, Lech Nowicki, Kazimierz Skrobas, Orest Dorosh
Publikováno v:
Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms. 498:9-14
A new tool for Monte Carlo simulation of ion channeling in crystals is described. The recently developed McChasy2 code follows the algorithm used previously in the McChasy program, but is well suited for simulations in large crystalline samples. The
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::bbe797955c6f3ff62f60d6d69ed7d25c
https://doi.org/10.1016/j.nimb.2021.04.004
https://doi.org/10.1016/j.nimb.2021.04.004
Autor:
Svitlana Stelmakh, Kazimierz Skrobas, Kamila Stefanska-Skrobas, Stanislaw Gierlotka, Bogdan Palosz
Publikováno v:
Surface Science. 728:122179
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::7bbb37531b62555bfa396084483b76f5
https://doi.org/10.1016/j.susc.2022.122179
https://doi.org/10.1016/j.susc.2022.122179
Publikováno v:
Journal of Physics: Conference Series. 2326:012014
The main goal of the McChasy code, in general, is to reproduce Rutherford Backscattering Spectrometry experimental spectra recorded in channeling direction (RBS/C) by simulating He-ions travelling inside crystalline structures and to calculate the pr
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::d977e68094e56415de3602133a64c56d
https://doi.org/10.1088/1742-6596/2326/1/012014
https://doi.org/10.1088/1742-6596/2326/1/012014
Publikováno v:
Diamond and Related Materials. 93:139-149
Lattice strain, crystallite shape and the crystallite size distribution in nanocrystalline diamond were determined from powder diffraction data. The data were analyzed by the direct space PDF method in combination with Molecular Dynamics simulations.
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::f82fbb5d176d9b9a4383de61a13fb400
https://doi.org/10.1016/j.diamond.2019.02.004
https://doi.org/10.1016/j.diamond.2019.02.004
Publikováno v:
Diamond and Related Materials. 91:1-14
Spherical and polyhedral diamond nanocrystals grains terminated by low-index atomic planes (100), (110), and (111) were examined using Molecular Dynamics (MD) simulations. Real space methodology (PDF analysis) was applied for examination of the inter
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::225c6adc55a80774e5a3848fbdf4e184
https://doi.org/10.1016/j.diamond.2018.10.020
https://doi.org/10.1016/j.diamond.2018.10.020
Autor:
Bogdan F. Palosz, Kamila Stefanska-Skrobas, Stanislaw Gierlotka, S. Stelmakh, Kazimierz Skrobas
Publikováno v:
Physical chemistry chemical physics : PCCP. 23(18)
The dependency of the surface free energy (SFE) of diamond nanocrystals on particle size was studied by means of molecular dynamics (MD) and DFT simulations. It was demonstrated how to avoid the ambiguities in calculating the surface area of very sma
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::9532bc46ba6afca3699e1c6ee8ac790e
https://pubmed.ncbi.nlm.nih.gov/33942829
https://pubmed.ncbi.nlm.nih.gov/33942829
Publikováno v:
Journal of physics. Condensed matter : an Institute of Physics journal. 33(17)
Atomic structure of plate-shaped nanodiamonds synthesized from chloroadamantane was identified with application of large-Q powder diffraction data. Both reciprocal and real space methods of experimental data analysis were applied. Theoretical atomist
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::1a24d183a43259a813f2ae2864d3ccec
https://pubmed.ncbi.nlm.nih.gov/33533336
https://pubmed.ncbi.nlm.nih.gov/33533336
Publikováno v:
Journal of Applied Crystallography. 50:1821-1829
NanoPDF64 is a tool designed for structural analysis of nanocrystals based on examination of powder diffraction data with application of real-space analysis. The program allows for fast building of models of nanocrystals consisting of up to several h
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::2b0702ff59b105d8057be720af0f169b
https://doi.org/10.1107/s1600576717013152
https://doi.org/10.1107/s1600576717013152
Publikováno v:
Diamond and Related Materials. 111:108177
Real space pair-distribution function (PDF) analysis in conjunction with molecular dynamics (MD) simulations was applied to characterize crystal structure, shape and surface structure of diamond nanoparticles annealed in air up to 880 °C. MD simulat
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::8353fafd2984dffdd28ab27c8639b4ba
https://doi.org/10.1016/j.diamond.2020.108177
https://doi.org/10.1016/j.diamond.2020.108177