Göran Wahnström
Showing 94 publications
Understanding Correlations in BaZrO
Anharmonicity of the antiferrodistortive soft mode in barium zirconate BaZrO3
Percolation Transition in Hole-Conducting Acceptor-Doped Barium Zirconate
BaZrO3 stability under pressure: The role of nonlocal exchange and correlation
Wetting of surfaces and grain boundaries in cemented carbides and the effect from local chemistry
CCBuilder: a software that produces synthetic microstructures of WC-Co cemented carbides
Finite element simulations of thermal residual stresses in realistic 3D WC-Co microstructures
Local structure and vibrational dynamics in indium-doped barium zirconate
High resolution STEM investigation of interface layers in cemented carbides
Comparison of Space-Charge Formation at Grain Boundaries in Proton-Conducting BaZrO3 and BaCeO3
Defect segregation to grain boundaries in BaZrO3 from first-principles free energy calculations
First-principles derived complexion diagrams for phase boundaries in doped cemented carbides
Polaronic contributions to oxidation and hole conductivity in acceptor-doped BaZrO₃
A computational study of special grain boundaries in WC–Co cemented carbides
Implications of the band gap problem on oxidation and hydration in acceptor-doped barium zirconate
Size and shape of oxygen vacancies and protons in acceptor-doped barium zirconate
A computational study of interfaces in WC-Co cemented carbides
Oxygen vacancy segregation in grain boundaries of BaZrO3 using interatomic potentials
Origin of Space Charge in Grain Boundaries of Proton-Conducting BaZrO3
Oxygen vacancy segregation and space-charge effects in grain boundaries of dry and hydrated BaZrO3
Effect of Boron on Carbide Coarsening at 873 K (600°C) in 9 to 12 pct Chromium Steels
Interface structure in a WC-Co alloy co-doped with VC and Cr3C2
First-principles study of an interfacial phase diagram in the V-doped WC-Co system
A computational study of thin cubic carbide films in WC/Co interfaces
Transition Metal Solubilities in WC in Cemented Carbide Materials
Substitutional doping and oxygen vacancies in La2Zr2O7 pyrochlore oxide
Theory of ultrathin films at metal-ceramic interfaces
Using Neutron Spin-Echo To Investigate Proton Dynamics in Proton-Conducting Perovskites
The effect of dipolar interactions in clusters of magnetic nanocrystals
Theoretical investigation of moderate misfit and interface energetics in the Fe/VN system
Effective magnetic moment of magnetic multicore nanoparticles
Monte Carlo simulation of magnetic multi-core nanoparticles
Protonic defects in pure and doped La2Zr2O7 pyrochlore oxide
Quasielastic neutron scattering of hydrated BaZr0.90A0.10O2.95 (A = Y and Sc)
Atomic Scale Materials Theory Meets Industry
Energetics and structure of interfaces in WC-Co alloys from first-principles calculations
Morphology of WC grains in WC-Co alloys
Nature of boron solution and diffusion in alpha-iron
Monte Carlo Simulation of Multi-Core Magnetic Nanoparticles
Motion of nanometer sized magnetic particles in a magnetic field gradient
Path integral treatment of proton transport processes in BaZrO3.
Motion of nanometer sized magnetic particles in a magnetic field gradient
Theoretical investigation of the motion of magnetic nanoparticles in a magnetic field gradient
Density-functional calculations of prefactors and activation energies for H diffusion in BaZrO3
Effect of acceptor dopants on the proton mobility in BaZrO3: A density functional investigation
Morphology of WC grains in WC-Co alloys: Theoretical determination of grain shape
Early stages of phase separation using three-dimensional atom probe and atomistic modelling
Effect of TaC on plastic deformation of WC-Co and Ti(C,N)-WC-Co
Water desorption from an oxygen covered Pt(111) surface: multi-channel desorption
Effect of Sigma2 grain boundaries on plastic deformation of WC-Co cemented carbides
Strength and reinforcement of interfaces in cemented carbides
Effect of sigma-2 grain boundaries on plastic deformation of WC-Co cemented carbides
Mechanisms of plastic deformation of WC-Co and Ti(C,N)-WC-Co
Quantitative analysis of WC grain shape in sintered WC-Co cemented carbides
WC grain shape as a function of the carbon potential in WC-Co alloys
Hydrogen tunneling on a metal surface: A density-functional study of H and D atoms on Cu(001)
Vibrational Properties of Protons in Hydrated BaInxZr1-xO3-x/2
An interaction model for OH+H2O -mixed and pure H2O overlayers adsorbed on Pt(111)
Kinetic Monte Carlo Study of Al-Mg Precipitation
Interface energy of semicoherent metal-ceramic interfaces
An interaction model for OH + H2O-mixed and pure H2O overlayers
Density-Functional Based Modeling of the Intermediate in the Water Production Reaction on Pt(111)
Quantum motion of hydrogen on Cu(001) using first-principles calculations
Effects of cobalt intergranular segregation on interface energetics in WC-Co
Self-trapping and diffusion of hydrogen in Nb and Ta from first principles
Bridging between micro- and macroscales of materials by mesoscopic models
Effect of grain boundary geometry on plastic deformation in WC-Co
Quantum treatment of H adsorbed on a P(111) surface
Neglected adsorbate interactions behind diffusion prefactor anomalies on metals
Density-functional bridge between surfaces and interfaces
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Showing 4 research projects
Proton- och hydridjon-ledning i perovskiter
Flerskalsmodellering av plastisk deformation av hårdmetaller.
Proton conduction and nanoionics