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Dr. Jan Wróbel

Building IM room 302, phone: +48 (22) 234 8748, +48 (22) 234 8748
e-mail: jan.wrobel@inmat.pw.edu.pl

Scientific interest:
materials modelling
elastic and thermodynamic properties
intermetallic phases
multicomponent alloys
semiconductors

Research methods:
density functional theory (ab-initio calculations)
Molecular Dynamics
Monte Carlo method
Cluster Expansion method

Research Groups:

Publications:

M.Y.Lavrentiev, J.Wróbel, D.Nguyen-Manh, S.L.Dudarev, M.G.Ganchenkova

Document Magnetic cluster expansion model for random and ordered magnetic face-centered cubic Fe-Ni-Cr alloys

Journal of Applied Physics 120, 043902 (2016)

I.Toda-Caraballo, J.Wróbel, S.L.Dudarev, D.Nguyen-Manh, P.E.J.Rivera-Díaz-del-Castillo

Interatomic spacing distribution in multicomponent alloys

Acta Materialia 97, 156 (2015)

J.Wróbel, D.Nguyen-Manh, M.Yu.Lavrentiev, M.Muzyk, S.L.Dudarev

Phase stability of ternary fcc and bcc Fe-Cr-Ni alloys

Physical Review B 91 (2015) 024108

M.Y.Lavrentiev, J.Wróbel, D.Nguyen-Manh, S.L.Dudarev

Magnetic and thermodynamic properties of facecentered cubic Fe-Ni alloys

Physical Chemistry Chemical Physics 16, 16049 (2014)

M.Krynski, W.Wrobel, J.R.Dygas, J.Wrobel, M.Malys, P.Śpiewak, K.J.Kurzydłowski, F.Krok, I.Abrahams

Ab-initio molecular dynamics simulation of δ-Bi3YO6

Solid State Ionics 245-246 (2013) 43

M.Muzyk, D.Nguyen-Manh, J.Wróbel, K.J.Kurzydłowski, N.L.Baluc, S.L.Dudarev

First-principles model for phase stability, radiation defects and elastic properties of W–Ta and W–V alloys

Journal of Nuclear Materials 442 (2013) S680

J.Wróbel, T.Wejrzanowski, K.J.Kurzydłowski, M.Kozłowski, R.Kozubski

Mesoscale simulations of atomic ordering in nano-layered FePt

Computational Materials Science 55 (2012) 60–64

J.Wróbel, L.G.Hector, Jr., W.Wolf, S.L.Shang, Z.K.Liu, K.J.Kurzydłowski,

Thermodynamic and mechanical properties of lanthanum – magnesium phases from density functional theory

Journal of Alloys and Compounds 512 (2012) 296

J.Wróbel, L.G.Hector, Jr., W.Wolf, K.J.Kurzydłowski

Thermodynamic and elastic properties of the phases appearing in the lightweight La-Mg alloys

Materials Science Forum 690 (2011) 15

4) R.Kozubski, M.Kozlowski, J.Wrobel, T.Wejrzanowski, K.J.Kurzydlowski, Ch.Goyhenex, V.Pierron-Bohnes, M.Rennhofer, S.Malinov

Atomic ordering in nano-layered FePt: Multiscale Monte Carlo simulation

Computational Materials Science 49 (2010) 80

R.Kozubski, M.Kozlowski, J.Wróbel, T.Wejrzanowski, K.J.Kurzydlowski, Ch.Goyhenex, V.Pierron-Bohnes, M.Rennhofer, S.Malinov

Atomic ordering in nano-layered FePt: Multiscale Monte Carlo simulation

Computational Materials Science 49 (2010) 80

L.G.Hector, Jr., J.Wróbel, K.J.Kurzydlowski

Thermodynamic and Elastic Properties of La-X (X=Al,Mg) Intermetallic Compounds from First Principles Calculations

Magnesium Technology 2010, TMS (The Minerals, Metals & Materials Society), Warrendale, PA., Wiley, pp. 41-48.

J.Wróbel, K.J.Kurzydłowski, K.Hummer, G.Kresse, J.Piechota

Calculations of ZnO properties using the Heyd–Scuseria–Ernzerhof screened hybrid density functional

Physical Review B 80 (2009) 155124

J.Wróbel, J.Piechota

On the structural stability of ZnO phases

Solid State Communications 146 (2008) 324

J.Wróbel, J.Piechota

Structural properties of ZnO polymorphs

physica status solidi (b) 224 (2007) 1538

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