Göran Wahnström

Professor at Chalmers, Physics, Materials and Surface Theory

Projects

2013–2016

Proton conduction and nanoionics

Göran Wahnström Materials and Surface Theory
Erik Jedvik Materials and Surface Theory
Anders Lindman Materials and Surface Theory
Swedish Energy Agency

There might be more projects where Göran Wahnström participates, but you have to be logged in as a Chalmers employee to see them.

Publications

2017

Defect segregation to grain boundaries in BaZrO3 from first-principles free energy calculations

Anders Lindman, T. S. Bjorheim, Göran Wahnström
Journal of Materials Chemistry A. Vol. 5 (26), p. 13421-13429
Journal article
2017

Comparison of Space-Charge Formation at Grain Boundaries in Proton-Conducting BaZrO3 and BaCeO3

Anders Lindman, Edit Ahlberg Helgee, Göran Wahnström
Chemistry of Materials. Vol. 29 (18), p. 7931-7941
Journal article
2016

Polaronic contributions to oxidation and hole conductivity in acceptor-doped BaZrO3

Anders Lindman, Paul Erhart, Göran Wahnström
Physical Review B: covering condensed matter and materials physics. Vol. 94 (7)
Journal article
2016

First-principles derived complexion diagrams for phase boundaries in doped cemented carbides

Sven Johansson, Göran Wahnström
Current Opinion in Solid State and Materials Science. Vol. 20 (5), p. 299-307
Journal article
2015

Size and shape of oxygen vacancies and protons in acceptor-doped barium zirconate

Erik Jedvik, Anders Lindman, Magnús Benediktsson et al
Solid State Ionics. Vol. 275, p. 2-8
Journal article
2015

Implications of the band gap problem on oxidation and hydration in acceptor-doped barium zirconate

Anders Lindman, Paul Erhart, Göran Wahnström
Journal of Logic and Computation. Vol. 91 (24), p. Art. no. 245114-
Journal article
2015

Molecular dynamics simulation of WC/WC grain boundary sliding resistance in WC–Co cemented carbides at high temperature

Martin Petisme, Martin Gren, Göran Wahnström
International Journal of Refractory Metals and Hard Materials. Vol. 49 (1), p. 75-80
Journal article
2015

A computational study of interfaces in WC-Co cemented carbides

Martin Petisme, Sven Johansson, Göran Wahnström
Modelling and Simulation in Materials Science and Engineering. Vol. 23 (4), p. 045001-
Journal article
2014

A computational study of special grain boundaries in WC–Co cemented carbides

Sven Johansson, Martin Petisme, Göran Wahnström
Computational Materials Science. Vol. 98, p. 345-353
Journal article
2013

Molecular dynamics simulation of WC/WC grain boundary sliding: the effect of thin cobalt films on sliding resistance

Martin Petisme, Sven Johansson, Göran Wahnström
Paper in proceedings
2013

Theoretical modeling of defect segregation and space-charge formation in the BaZrO3 (210) 001 tilt grain boundary

Anders Lindman, Edit Ahlberg Helgee, Göran Wahnström
Solid State Ionics. Vol. 252, p. 121-125
Journal article
2013

Theoretical modeling of defect segregation and space-charge formation in the BaZrO3 (210) 001 tilt grain boundary

Anders Lindman, Edit Ahlberg Helgee, Göran Wahnström
Solid State Ionics. Vol. 252, p. 121-125
Journal article
2013

Origin of Space Charge in Grain Boundaries of Proton-Conducting BaZrO3

Edit Ahlberg Helgee, Anders Lindman, Göran Wahnström
Fuel Cells. Vol. 13 (1), p. 19-28
Journal article
2013

Oxygen vacancy segregation in grain boundaries of BaZrO3 using interatomic potentials

Anders Lindman, Edit Ahlberg Helgee, Joakim Nyman et al
Solid State Ionics. Vol. 230 (C), p. 27-31
Journal article
2012

Effect of Boron on Carbide Coarsening at 873 K (600°C) in 9 to 12 pct Chromium Steels

Fang Liu, Dan Fors, Ardeshir Golpayegani et al
Metallurgical and Materials Transactions A: Physical Metallurgy and Materials Science. Vol. 43 (11), p. 4053-4062
Journal article
2012

Interface structure in a WC-Co alloy co-doped with VC and Cr3C2

S. Lay, M. Loubradou, Sven Johansson et al
Journal of Materials Science. Vol. 47 (3), p. 1588-1593
Journal article
2012

Oxygen vacancy segregation and space-charge effects in grain boundaries of dry and hydrated BaZrO3

Joakim Nyman, Edit Ahlberg Helgee, Göran Wahnström
Applied Physics Letters. Vol. 100 (6), p. 061903-
Journal article
2012

First-principles study of an interfacial phase diagram in the V-doped WC-Co system

Sven Johansson, Göran Wahnström
Physical Review B - Condensed Matter and Materials Physics. Vol. 86 (3), p. 035403-
Journal article
2011

First-principles investigation of the stability of MN and CrMN precipitates under coherency strains in alpha-Fe (M = V, Nb, Ta)

Dan Fors, Göran Wahnström
Journal of Applied Physics. Vol. 109 (11)
Journal article
2011

Transition Metal Solubilities in WC in Cemented Carbide Materials

Jonathan Weidow, Sven Johansson, Hans-Olof Andrén et al
Journal of the American Ceramic Society. Vol. 94 (2), p. 605-610
Journal article
2011

Substitutional doping and oxygen vacancies in La2Zr2O7 pyrochlore oxide

Joakim Nyman, Mårten Björketun, Göran Wahnström
Solid State Ionics. Vol. 189 (1), p. 19-28
Journal article
2011

A computational study of thin cubic carbide films in WC/Co interfaces

Sven Johansson, Göran Wahnström
Acta Materialia. Vol. 59 (1), p. 171-181
Journal article
2011

Substitutional doping and oxygen vacancies in La2Zr2O7 pyrochlore oxide

Joakim Nyman, Mårten Björketun, Göran Wahnström
Solid State Ionics. Vol. 189 (1), p. 19-28
Journal article
2010

Theoretical study of interface structure and energetics in semicoherent Fe(001)/MX(001) systems (M=Sc, Ti, V, Cr, Zr, Nb, Hf, Ta; X=C or N)

Dan Fors, Göran Wahnström
Physical Review B - Condensed Matter and Materials Physics. Vol. 82 (19), p. 195410-
Journal article
2010

Using Neutron Spin-Echo To Investigate Proton Dynamics in Proton-Conducting Perovskites

Maths Karlsson, Dennis Engberg, Mårten Björketun et al
Chemistry of Materials. Vol. 22 (3), p. 740-742
Journal article
2010

Theoretical investigation of moderate misfit and interface energetics in the Fe/VN system

Dan Fors, Sven Johansson, Martin Petisme et al
Computational Materials Science. Vol. 50 (2), p. 550-
Journal article
2010

Determination of nanocrystal size distribution in magnetic multicore particles including dipole-dipole interactions and magnetic anisotropy: A Monte Carlo study

Vincent Schaller, Göran Wahnström, Anke Sanz-Velasco et al
AIP Conference Proceedings. Vol. 1311, p. 42-50
Paper in proceedings
2010

Theory of ultrathin films at metal-ceramic interfaces

Sven Johansson, Göran Wahnström
Philosophical Magazine Letters. Vol. 90 (8), p. 599-609
Journal article
2010

The effect of dipolar interactions in clusters of magnetic nanocrystals

Vincent Schaller, Göran Wahnström, Anke Sanz-Velasco et al
Journal of Physics: Conference Series. Vol. 200 (SECTION 7)
Paper in proceedings
2009

Effective magnetic moment of magnetic multicore nanoparticles

Vincent Schaller, Göran Wahnström, Anke Sanz-Velasco et al
Physical Review B - Condensed Matter and Materials Physics. Vol. 80 (9), p. 092406-
Journal article
2009

Quasielastic neutron scattering of hydrated BaZr0.90A0.10O2.95 (A = Y and Sc)

Maths Karlsson, Aleksandar Matic, Dennis Engberg et al
Solid State Ionics. Vol. 180 (1), p. 22-28
Journal article
2009

Protonic defects in pure and doped La2Zr2O7 pyrochlore oxide

Mårten Björketun, Christopher Knee, Joakim Nyman et al
Solid State Ionics. Vol. 178 (31-32), p. 1642-
Journal article
2009

Energetics and structure of interfaces in WC-Co alloys from first-principles calculations

Mattias Slabanja, Sven Johansson, Göran Wahnström
Paper in proceedings
2009

Atomic Scale Materials Theory Meets Industry

Göran Wahnström
National Supercomputer Centre at LiU News (4)
Magazine article
2009

Monte Carlo simulation of magnetic multi-core nanoparticles

Vincent Schaller, Göran Wahnström, Anke Sanz-Velasco et al
Journal of Magnetism and Magnetic Materials. Vol. 321 (10), p. 1400-1403
Journal article
2009

Influence of Pt on the metal-oxide interface during high temperature oxidation of NiAl bulk materials

Henrik Svensson, Mikael Christensen, Pavleta Knutsson et al
Corrosion Science. Vol. 51 (3), p. 539-
Journal article
2008

Nature of boron solution and diffusion in alpha-iron

Dan Fors, Göran Wahnström
Physical Review B - Condensed Matter and Materials Physics. Vol. 77 (13), p. 132102-
Journal article
2008

Path integral treatment of proton transport processes in BaZrO3.

Qianfan Zhang, Göran Wahnström, Mårten E Björketun et al
Physical Review Letters. Vol. 101 (21), p. 215902-
Journal article
2008

Motion of nanometer sized magnetic particles in a magnetic field gradient

Vincent Schaller, Ulli Kräling, Cristina Rusu et al
Virtual Journal of Nanoscale Science & Technology. Vol. 18 (22)
Journal article
2008

Monte Carlo Simulation of Multi-Core Magnetic Nanoparticles

Vincent Schaller, Göran Wahnström, Anke Sanz-Velasco et al
7th International Conference on the Scientific and Clinical Applications of Magnetic Carriers, Vancouver, Canada, May 20-24, 2008, p. 27-
Paper in proceedings
2008

Motion of nanometer sized magnetic particles in a magnetic field gradient

Vincent Schaller, Ulli Kraeling, Cristina Rusu et al
Journal of Applied Physics. Vol. 104 (9), p. no:093918-
Journal article
2008

Morphology of WC grains in WC-Co alloys

S Lay, C.H. Allibert, Mikael Christensen et al
Materials Science and Engineering A. Vol. 486, p. 253-
Journal article
2007

Structure and thermodynamic stability of hydrogen interstitials in BaZrO3 perovskite oxide from density functional calculations

Mårten Björketun, Per G. Sundell, Göran Wahnström
Faraday Discuss.. Vol. 134, p. 247-265
Journal article
2007

Effect of acceptor dopants on the proton mobility in BaZrO3: A density functional investigation

Mårten Björketun, Per G. Sundell, Göran Wahnström
Phys. Rev. B. Vol. 76, p. 054307-
Journal article
2007

Theoretical investigation of the motion of magnetic nanoparticles in a magnetic field gradient

Vincent Schaller, Cristina Rusu, Peter Enoksson et al
Conference contribution
2007

Early stages of phase separation using three-dimensional atom probe and atomistic modelling

Mattias Slabanja, Johan Angenete, Krystyna Marta Stiller et al
Surface and Interface Analysis. Vol. 39, p. 178-
Journal article
2007

Density-functional calculations of prefactors and activation energies for H diffusion in BaZrO3

Per G. Sundell, Mårten Björketun, Göran Wahnström
Phys. Rev. B. Vol. 76, p. 094301-
Journal article
2007

Morphology of WC grains in WC-Co alloys: Theoretical determination of grain shape

Mikael Christensen, Göran Wahnström, S. Lay et al
Acta Mater.. Vol. 55, p. 1515-
Journal article
2006

Thermodynamics of doping and vacancy formation in BaZrO3 perovskite oxide from density functional calculations

Per G. Sundell, Mårten Björketun, Göran Wahnström
Phys. Rev. B. Vol. 73, p. 104112-
Journal article
2006

Mechanisms of plastic deformation of WC-Co and Ti(C,N)-WC-Co

Gustaf Östberg, Katharina Buss, Mikael Christensen et al
Int. J. Refract. Hard Mater.. Vol. 24 (1-2), p. 135-144
Journal article
2006

Effect of Sigma2 grain boundaries on plastic deformation of WC-Co cemented carbides

Gustaf Östberg, Muhammad Umar Farooq, Mikael Christensen et al
Mat. Sci. and Eng. A.. Vol. 416, p. 119-
Journal article
2006

Effect of sigma-2 grain boundaries on plastic deformation of WC-Co cemented carbides

Gustaf Östberg, Muhammad Umar Farooq, Mikael Christensen et al
Materials Science and Engineering. Vol. 416, p. 119-125
Journal article
2006

Water desorption from an oxygen covered Pt(111) surface: multi-channel desorption

Gustav Karlberg, Göran Wahnström, Andrew Hodgson et al
Journal of Chemical Physics. Vol. 124 (20), p. 204712-
Journal article
2006

Effect of TaC on plastic deformation of WC-Co and Ti(C,N)-WC-Co

Gustaf Östberg, Katharina Buss, Mikael Christensen et al
International Journal of Refractory Metals and Hard Materials. Vol. 24 (1-2), p. 145-154
Journal article
2006

Strength and reinforcement of interfaces in cemented carbides

Mikael Christensen, Göran Wahnström
Int. J. Refract. Hard Mater.. Vol. 24, p. 80-
Journal article
2005

Vibrational Properties of Protons in Hydrated BaInxZr1-xO3-x/2

Maths Karlsson, Mårten Björketun, Per G. Sundell et al
Physical Review B - Condensed Matter and Materials Physics. Vol. 72, p. 1-7
Journal article
2005

An interaction model for OH + H2O-mixed and pure H2O overlayers

Gustav Karlberg, Göran Wahnström
Journal of Chemical Physics. Vol. 122, p. 194705-
Journal article
2005

WC grain shape as a function of the carbon potential in WC-Co alloys

S. Lay, C..H. Allibert, Mikael Christensen et al
Conference contribution
2005

A kinetic Monte Carlo study of proton diffusion in disordered perovskite structured lattices based on first-principles calculations

Mårten Björketun, Per G. Sundell, Göran Wahnström et al
Solid State Ionics. Vol. 176, p. 3035-
Journal article
2005

Quantitative analysis of WC grain shape in sintered WC-Co cemented carbides

Mikael Christensen, Göran Wahnström, C Allibert et al
Physics Review Letters. Vol. 94, p. 066105-
Journal article
2005

Kinetic Monte Carlo Study of Al-Mg Precipitation

Mattias Slabanja, Göran Wahnström
Acta Materialia. Vol. 53, p. 3721-
Journal article
2005

The segmental and rotational dynamics of PPO investigated by neutron scattering and molecular dynamics simulations

C. Tengroth, Dennis Engberg, P. Carlsson et al
Soft Materials. Vol. 3, p. 1-20
Journal article
2005

Diffusion in Solids

Göran Wahnström
Chapter in monograph, book - peer reviewed
2005

Hydrogen tunneling on a metal surface: A density-functional study of H and D atoms on Cu(001)

Per G. Sundell, Göran Wahnström
Surface Science. Vol. 593, p. 102-
Journal article
2005

Interface energy of semicoherent metal-ceramic interfaces

Sven Johansson, Mikael Christensen, Göran Wahnström
Physical Review Letters. Vol. 95, p. 226108-
Journal article
2004

Activation energies for quantum diffusion of hydrogen in metals and on metal surfaces using delocalized nuclei within density-functional theory

Per G. Sundell, Göran Wahnström
Physical Review Letters. Vol. 92, p. 155901-
Journal article
2004

Effects of cobalt intergranular segregation on interface energetics in WC-Co

Mikael Christensen, Göran Wahnström
Acta Materialia. Vol. 52, p. 2199-
Journal article
2004

Self-trapping and diffusion of hydrogen in Nb and Ta from first principles

Per G. Sundell, Göran Wahnström
Physical Review B. Vol. 70 (224301)
Journal article
2004

Density-Functional Based Modeling of the Intermediate in the Water Production Reaction on Pt(111)

Gustav Karlberg, Göran Wahnström
Physical Review Letters. Vol. 92, p. 136103-
Journal article
2004

Quantum motion of hydrogen on Cu(001) using first-principles calculations

Per G. Sundell, Göran Wahnström
Physical Review B. Vol. 70, p. 081403-
Journal article
2004

Cemented carbide

Susanne Norgren, Mikael Christensen, Göran Wahnström
Patent application
2003

Energetics, vibrational spectrum, and scanning tunneling microscopy images for the intermediate in water production reaction on Pt(111) from density functional calculations

Gustav Karlberg, Göran Wahnström, Mats Persson et al
Journal of Chemical Physics. Vol. 119 (9), p. 4865-4872
Journal article
2002

Bridging between micro- and macroscales of materials by mesoscopic models

Bengt Lundqvist, Alexander Bogicevic, Sergey V. Dudiy et al
Computational Materials Science. Vol. 24, p. 1-
Journal article
2002

Effect of grain boundary geometry on plastic deformation in WC-Co

Gustaf Östberg, Hans-Olof Andrén, Mikael Christensen et al
Proceedings of the EuroPM2002 Hard Materials Conference, Lausanne, Switzerland, p. 85-90
Paper in proceedings
2001

Quantum treatment of H adsorbed on a P(111) surface

Gustav Karlberg, Göran Wahnström
Physical Review B - Condensed Matter and Materials Physics. Vol. 65 (3), p. 033406 -
Journal article
2001

Density-functional bridge between surfaces and interfaces

Bengt Lundqvist, Alexander Bogicevic, Karin M. Carling et al
Surface Science. Vol. 493, p. 253-270
Journal article
2001

Neglected adsorbate interactions behind diffusion prefactor anomalies on metals

Staffan Ovesson, Alexander Bogicevic, Göran Wahnström et al
PHYSICAL REVIEW B. Vol. 64, p. 125423-
Journal article