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The section containing accepted papers prior to their appearance in the forthcoming issues of Materials Science-Poland, is available on: Ahead of Print Articles.




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The current issue (Vol. 42, No. 4, 2024) of the journal of Materials Science-Poland is now available on Sciendo.
For more details please, refer to the Sciendo website.





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The Growing Importance of Computations in Materials Science. Current Capabilities and Perspectives

E. Wimmer
Materials Design s.a.r.l, Le Mans, France

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Structure and Stability of Binary Metal Alloys. Precipitation Treated via Ab-initio Calculations

S. Müller
Universität at Erlangen-Nürnberg, Lehrstuhl für Festkörperphysik, Erlangen, Germany

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First-principles Calculations of Vibrational and Thermodynamical Properties of Solids

K. Parliński
Institute of Technics, Pedagogical University, Cracow, Poland

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Vibrational Properties and Thermochemistry From First Principles

W. Wolf 1, J. Sticht1, A. Mavromaras 1, B. Leblanc1, P. Saxe2, E. Wimmer1
1Materials Design s.a.r.l., Le Mans, France
2Materials Design Inc., Taos, USA

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Magnetic and Electronic Properties of a New Ferrimagnet Sr8CaRe3Cu4O24

M. Kohno, X. Wan, X. Hu
Computational Materials Science Center, National Institute for Materials Science, Tsukuba, Japan

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Theoretical Study of Electron Transport Properties of an Organic Molecule

J. Nara1, W.T. Geng1, H. Kino1, N. Kobayashi2, T. Ohno3
1Computational Materials Science Center, National Institute for Materials Science, Tsukuba, Ibaraki, Japan
2Research Consortium for Synthetic Nano-Function Materials Project, National Institute of Advanced Industrial Science and Technology, Tsukuba Central, Ibaraki, Japan
3Institute of Industrial Science, University of Tokyo, Tokyo, Japan

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Specific Heat Related to Details of The Vibrational Modes for a 2D Nanocrystalline Material

W. Hahn
Polish Academy of Sciences, High Pressure Research Center, Warsaw, Poland

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First Principles Molecular Dynamics Simulations for Amorphous HfO2 and Hf1-xSixO2 Systems

M. Ikeda1,G. Kresse2, T. Nabatame1, A. Toriumi3,4
1MIRAI, Association of Super-Advanced Electronics Technologies, Tsukuba, Japan
2Institut für Materialphysik, Universität Wien, Wien, Austria
3MIRAI, Advanced Semiconductor Research Center, National Institute of Advanced Industrial Science and Technologies (AIST), Tsukuba, Japan
4Department of Materials Science, School of Engineering, University of Tokyo, Tokyo, Japan

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Atomic Modelling of Point Defects in B2-RuAl

R. Sot1,2, K.J. Kurzydłowski1
1Warsaw University of Technology, Faculty of Materials Science and Engineering, Warsaw, Poland
2Warsaw University, Interdisciplinary Centre for Mathematical and Computational Modelling, Warsaw, Poland

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Atomic Configurations of breaking Nanocontacts of Aluminium and Nickel

P. Garcia-Mochalec, P.A. Serena1, C. Guerrero 2, E. Medina2, A. Hasmy2
1Instituto de Ciencia de Materiales de Madrid, Consejo Superior de Investigaciones Cientificas, Madrid, Spain
2Centro de Fisica, , Caracas, Venezuela

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Dynamical Properties of C60(H2O)50 Mixture Cluster. Molecular Dynamics Simulation

A. Dawid, M. Sokół, Z. Gburski
Institute of Physics, University of Silesia, Katowice, Poland

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Molecular Dynamics of Cholesterol in a Thin Film Surrounding a Carbon Nanotube

P. Raczyński, A. Dawid, M. Sokół, Z. Gburski
Institute of Physics, University of Silesia, Katowice, Poland

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Molecular Dynamics Study of The Fullerene-cholesterol Mixture Cluster

P. Raczyński, A. Dawid, Z. Gburski
Institute of Physics, University of Silesia, Katowice, Poland

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Depolarized Light Scattering From a Thin Fullerene Layer Confined Between Graphite Planes. A MD Study

M. Skrzypek, P. Brol, Z. Gburski
Institute of Physics, University of Silesia, Katowice, Poland

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Fullerene Layers Between Graphite Walls. A Computer Simulation

M. Skrzypek, Z. Gburski
Institute of Physics, University of Silesia, Katowice, Poland

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Interaction-induced Depolarized Light Scattering Spectra of Exohedral Complexes of Ne and Ar with Fullerenes and Nanotubes

Z. Dendzik, M. Kośmider, A. Dawid, K. Kaczor, Z. Gburski
Institute of Physics, University of Silesia, Katowice, Poland

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Dynamics of The Exohedral Complex Composed of Ar Atomic Film Adsorbed on The Surface of Single-walled Carbon Nanotube. Computer Simulation Study

Z. Dendzik, M. Kośmider, S. Pałucha, P. Brol, Z. Gburski
Institute of Physics, University of Silesia, Katowice, Poland

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Structural and Dynamic Properties Operties of Water Confined Inside a Single-walled Carbon Nanotube. Molecular Dynamics Study

M. Kośmider, M. Sokół, Z. Dendzik, Z. Gburski
Institute of Physics, University of Silesia, Katowice, Poland

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Simulations of Molecular Dynamics of Cyanoadamantane Multilayers Between Graphite Substrates

P. Brol, S. Pałucha, M. Skrzypek, Z. Gburski
Institute of Physics, University of Silesia, Katowice, Poland

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Computer Simulation Study of Solid C60 Doped by Hydrogen Cyanide Molecules

S. Pałucha1,2, P. Brol1, Z. Gburski1
1Department of Electrotechnology, Division of Computer Methods, Silesian University of Technology, Katowice, Poland
2Institute of Physics, University of Silesia, Katowice, Poland

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Ceramic Hydration with Expansion. The Structure and Reaction of Water Layers on Magnesium Oxide. A Cyclic Cluster Study

B. Heidberg1,2, T. Bredow1, K. Littmann2, K. Jug1
1Universität Hannover, Fachbereich Chemie, Fachgebiet Theoretische Chemie, Hannover, Germany
2Universität Hannover, Fachbereich Architektur, Fachgebiet für Beschichtungstechnik und Werkstoffchemie, Hannover, Germany

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Coupled Space-time Multiscale Simulations of Dynamic Delamination Tests

S. Mariani 1, A. Pandolfi1, R. Pavani2
1Dipartimento di Ingegneria Strutturale, Politecnico di Milano, Milano, Italy
2Dipartimento di Matematica ''Francesco Brioschi'', Politecnico di Milano, Milano, Italy

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Influence of the Dislocation Structure on The Crack Tip in Highly Deformed Iron

K. Borysovska1, V. Slyunyayev1, Yu. Podrezov1, Z. Pakiela2, K. Kurzydłowski2
1Institute for Problems of Materials Science, Kiev, Ukraine
2Warsaw University of Technology, Faculty of Materials Science and Engineering, Warsaw, Poland

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Finite Element Modelling of The Residual Stresses in The Ceramic-Elastomer Composites

A. Boczkowska1, K. Konopka1, K. Babski1, G. Krzesiński2, K.J. Kurzydłowski1
1Warsaw University of Technology, Faculty of Materials Science and Engineering, Warsaw, Poland
2Warsaw University of Technology, Institute of Aeronautics and Applied Mechanics, Warsaw, Poland

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Percolation Threshold Model and Its Application to The Electrical Conductivity of Layered BaTiO3-Ni

M. Ambrožič, A. Dakskobler, M. Valant, T. Kosmač
Jožef Stefan Institute, Ljubljana, Slovenia

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Influence of The Packing Effect on Stability and Transformation of Nanoparticles Embedded in Random Matrices

H. Hermann, A. Elsner, T. Gemming
Institute for Solid State and Materials Research, IFW Dresden, Dresden, Germany

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Digital Image Analysis and Visualization of Early Caries Changes in Human Teeth

E. Kaczmarek1, A. Surdacka2, T. Matthews-Brzozowska2,3, B. Miśkowiak4
1Laboratory of Morphometry & Medical Image Processing at Chair of Pathology, University of Medical Sciences in Poznań, Poland
2Department of Conservative Dentistry and Periodontology, University of Medical Sciences in Poznań, Poland
3Department of Orthodontics, Wrocław Medical University, Poland
4Department of Optometry and Visual System, University of Medical Sciences in Poznań, Poland

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New Possibilities of Light Microscopy Research Resulting from Digital Recording of Images

A. Szczotok, S. Roskosz
Silesian University of Technology, Department of Materials Science, Katowice, Poland

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Multifractal Description of Fracture Morphology: Quasi-3D Analysis of Fracture Surface

S. Stach1, J. Cwajna2, S.Roskosz2, J. Cybo1
1Department of Materials Science, Silesian University, Sosnowiec, Poland
2Department of Materials Science, Silesian University of Technology, Katowice, Poland

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Multifractal Description of Fracture Morphology. Full 3D Analysis of Fracture Surface

S. Stach1, J. Cybo1, J. Cwajna2, S.Roskosz2,
1Department of Materials Science, Silesian University, Sosnowiec, Poland
2Department of Materials Science, Silesian University of Technology, Katowice, Poland

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Methods for Estimating the Hurst Exponent. The Analysis of Its Value for Fracture Surface Research

J. Wawszczak
School of Technical and Social Sciences, Warsaw University of Technology, Płock, Poland

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