Jan Cholewiński, M.Sc.


Recent publications
1.Cholewiński J., Maździarz M., Jurczak G., Dłużewski P., Dislocation core reconstruction based on finite deformation approach and its application to 4H-SiC crystal, INTERNATIONAL JOURNAL FOR MULTISCALE COMPUTATIONAL ENGINEERING, ISSN: 1543-1649, DOI: 10.1615/IntJMultCompEng.2014010679, Vol.12, No.5, pp.411-421, 2014
Abstract:

A proper reconstruction of discrete crystal structure with defects is an important problem in dislocation theory. Currently, procedures for dislocation core reconstruction presented in the literature usually neglect configuration changes. The present paper discusses a new approach, which uses an iterative algorithm to determine an atomistic configuration of the dislocation core. The mathematical background is based on finite deformation theory, in which an iterative algorithm searches for the new atomic configuration corresponding to the actual atomic configuration of the deformed crystal. Its application to the reconstruction of 4H-SiC crystal affected by the system of four threading dislocations is presented as an example. Molecular statics calculations suggest a lower potential energy, as well as dislocation core energy, per-atom energy, and per-atom stresses for the structure reconstructed by use of the iterative algorithm against the classical solution based on the Love's equations.

Keywords:

dislocation, dislocation core energy, finite deformation, molecular statics

Affiliations:
Cholewiński J.-IPPT PAN
Maździarz M.-IPPT PAN
Jurczak G.-IPPT PAN
Dłużewski P.-IPPT PAN
2.Dłużewski P., Cholewiński J., Continuum and atomistic modelling of crystal defects, Annual Report - Polish Academy of Sciences, ISSN: 1640-3754, pp.80-82, 2013

Conference papers
1.Maździarz M., Nalepka K.T., Dłużewski P., Cholewiński J., Reconstruction of dislocations in interface layer Cu-Al2O3, MMM2010, 5th International Conference Multiscale Materials Modeling, 2010-10-04/10-08, Freiburg (GE), pp.482-485, 2010
Abstract:

Using three different methods namely, CDT (Continuous Dislocation Theory), molecular TB - SMA (Tight Binding Second Moment Approximation) type many - body potential, and MEM (Molecular Effective Medium) theory, we are looking for the best possible reconstruction of dislocations in Cu - Al 2 O 3 heterostructure.

Affiliations:
Maździarz M.-IPPT PAN
Nalepka K.T.-IPPT PAN
Dłużewski P.-IPPT PAN
Cholewiński J.-IPPT PAN

Conference abstracts
1.Dłużewski P., Cholewiński J., Maździarz M., Tauzowski P., Nalepka K.T., Atomistic/continuum reconstruction of misfit dislocations and stacking faults in Cu/sapphire interfacial region, CMM 2011, 19th International Conference on Computer Methods in Mechanics, 2011-05-09/05-12, Warszawa (PL), pp.257-1-2, 2011
Abstract:

A method for reconstruction of atomistic models of dislocations and stacking faults in the interfacial region of heterostructures is presented. Its mathematical foundations come back to the algebra of the finite deformation fields related to introducing of discrete dislocations into an initially coherent interface. From the practical point of view the method concerns generation of interfacial regions with misfit/treading partial dislocations and stacking faults being formed in the interfacial region between crystal structures of different crystallographic type.

Keywords:

atomistic models, dislocations, stacking faults, lattice distortion

Affiliations:
Dłużewski P.-IPPT PAN
Cholewiński J.-IPPT PAN
Maździarz M.-IPPT PAN
Tauzowski P.-IPPT PAN
Nalepka K.T.-IPPT PAN