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Blazej Grabowski

Name	Blazej Grabowski
Place	Deutschland
Gender	männlich
Academic degree	Prof. Dr. rer. nat.
Related	Universität Stuttgart. Institut für Materialwissenschaft Max-Planck-Institut für Eisenforschung Materialdesign (Thema) Physik (Studienfach)
Record type	Person
GND-Identifier	1266469508
Record ID	1266469508
Involved in show all Electronic Moment Tensor Potentials include both electronic and vibrational degrees of freedom Anharmonicity in bcc refractory elements : a detailed ab initio analysis High-accuracy thermodynamic properties to the melting point from ab initio calculations aided by machine-learning potentials Interstitials in compositionally complex alloys Performance of two complementary machine-learned potentials in modelling chemically complex systems Strong impact of spin fluctuations on the antiphase boundaries of weak itinerant ferromagnetic Ni3Al Thermodynamic properties on the homologous temperature scale from direct upsampling : understanding electron-vibration coupling and thermal vacancies in bcc refractory metals Approximating the impact of nuclear quantum effects on thermodynamic properties of crystalline solids by temperature remapping Dynamic stabilization of perovskites at elevated temperatures : a comparison between cubic BaFeO3 and vacancy-ordered monoclinic BaFeO2.67 Entropy of kink pair formation on screw dislocations : an accelerated molecular dynamics study High-entropy hydrides for fast and reversible hydrogen storage at room temperature : binding-energy engineering via first-principles calculations and experiments Li5Sn, the most lithium-rich binary stannide : a combined experimental and computational study Magnetic Moment Tensor Potentials for collinear spin-polarized materials reproduce different magnetic states of bcc Fe Recent advances in understanding diffusion in muti-principal element systems Thermodynamics up to the melting point in a TaVCrW high entropy alloy : systematic ab initio study aided by machine learning potentials A combined experimental and first-principles based assessment of finite-temperature thermodynamic properties of intermetallic Al3Sc Ab initio simulations of the surface free energy of TiN(001) Chemically induced local lattice distortions versus structural phase transformations in compositionally complex alloys Crystal structure and phase stability of Co2N : a combined first-principles and experimental study Finite-temperature interplay of structural stability, chemical complexity, and elastic properties of bcc multicomponent alloys from ab initio trained machine-learning potentials Molecular dynamics simulations of screw dislocation mobility in bcc Nb Structural and magnetic properties of newly found BaFeO2.667 synthesized by oxidizing BaFeO2.5 obtained via nebulized spray pyrolysis Thermally-activated dislocation mobility in bcc metals : an accelerated molecular dynamics study Correlation analysis of strongly fluctuating atomic volumes, charges, and stresses in body-centered cubic refractory high-entropy alloys Performance of the standard exchange-correlation functionals in predicting melting properties fully from first principles : application to Al and magnetic Ni Ab initio based method to study structural phase transitions in dynamically unstable crystals, with new insights on the β to ω transformation in titanium Ab initio phase stabilities and mechanical properties of multicomponent alloys : a comprehensive review for high entropy alloys and compositionally complex alloys An insight into using DFT data for Calphad modeling of solid phases in the third generation of Calphad databases, a case study for Al Basal slip in laves phases : the synchroshear dislocation Fast anharmonic free energy method with an application to vacancies in ZrC Phonon lifetimes throughout the Brillouin zone at elevated temperatures from experiment and ab Initio A machine learning approach to model solute grain boundary segregation Anomalous phonon lifetime shortening in paramagnetic CrN caused by spin-lattice coupling : a combined spin and ab Initio molecular dynamics study Calculating free energies of point defects from ab initio Dislocation slip transmission through a coherent Σ3{111} copper twin boundary : strain rate sensitivity, activation volume and strength distribution function GB code : a grain boundary generation code Impact of asymmetric martensite and austenite nucleation and growth behavior on the phase stability and hysteresis of freestanding shape-memory nanoparticles Migration mechanisms of a faceted grain boundary Temperature dependence of the Gibbs energy of vacancy formation of fcc Ni Temperature dependence of the stacking-fault Gibbs energy for Al, Cu, and Ni Ab initio modelling of solute segregation energies to a general grain boundary Accurate electronic free energies of the 3d, 4d, and 5d transition metals at high temperatures Atomic scale processes of phase transformations in nanocrystalline NiTi shape-memory alloys Efficient approach to compute melting properties fully from ab initio with application to Cu Thermomechanical response of NiTi shape-memory nanoprecipitates in TiV alloys A QM/MM approach for low-symmetry defects in metals Atomistic migration mechanisms of atomically flat, stepped, and kinked grain boundaries Strong impact of lattice vibrations on electronic and magnetic properties of paramagnetic Fe revealed by disordered local moments molecular dynamics Development and application of a Ni-Ti interatomic potential with high predictive accuracy of the martensitic phase transition

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Blazej Grabowski

Electronic Moment Tensor Potentials include both electronic and vibrational degrees of freedom

Anharmonicity in bcc refractory elements : a detailed ab initio analysis

High-accuracy thermodynamic properties to the melting point from ab initio calculations aided by machine-learning potentials

Interstitials in compositionally complex alloys

Performance of two complementary machine-learned potentials in modelling chemically complex systems

Strong impact of spin fluctuations on the antiphase boundaries of weak itinerant ferromagnetic Ni3Al

Thermodynamic properties on the homologous temperature scale from direct upsampling : understanding electron-vibration coupling and thermal vacancies in bcc refractory metals

Approximating the impact of nuclear quantum effects on thermodynamic properties of crystalline solids by temperature remapping

Dynamic stabilization of perovskites at elevated temperatures : a comparison between cubic BaFeO3 and vacancy-ordered monoclinic BaFeO2.67

Entropy of kink pair formation on screw dislocations : an accelerated molecular dynamics study

High-entropy hydrides for fast and reversible hydrogen storage at room temperature : binding-energy engineering via first-principles calculations and experiments

Li5Sn, the most lithium-rich binary stannide : a combined experimental and computational study

Magnetic Moment Tensor Potentials for collinear spin-polarized materials reproduce different magnetic states of bcc Fe

Recent advances in understanding diffusion in muti-principal element systems

Thermodynamics up to the melting point in a TaVCrW high entropy alloy : systematic ab initio study aided by machine learning potentials

A combined experimental and first-principles based assessment of finite-temperature thermodynamic properties of intermetallic Al3Sc

Ab initio simulations of the surface free energy of TiN(001)

Chemically induced local lattice distortions versus structural phase transformations in compositionally complex alloys

Crystal structure and phase stability of Co2N : a combined first-principles and experimental study

Finite-temperature interplay of structural stability, chemical complexity, and elastic properties of bcc multicomponent alloys from ab initio trained machine-learning potentials

Molecular dynamics simulations of screw dislocation mobility in bcc Nb

Structural and magnetic properties of newly found BaFeO2.667 synthesized by oxidizing BaFeO2.5 obtained via nebulized spray pyrolysis

Thermally-activated dislocation mobility in bcc metals : an accelerated molecular dynamics study

Correlation analysis of strongly fluctuating atomic volumes, charges, and stresses in body-centered cubic refractory high-entropy alloys

Performance of the standard exchange-correlation functionals in predicting melting properties fully from first principles : application to Al and magnetic Ni

Ab initio based method to study structural phase transitions in dynamically unstable crystals, with new insights on the β to ω transformation in titanium

Ab initio phase stabilities and mechanical properties of multicomponent alloys : a comprehensive review for high entropy alloys and compositionally complex alloys

An insight into using DFT data for Calphad modeling of solid phases in the third generation of Calphad databases, a case study for Al

Basal slip in laves phases : the synchroshear dislocation

Fast anharmonic free energy method with an application to vacancies in ZrC

Phonon lifetimes throughout the Brillouin zone at elevated temperatures from experiment and ab Initio

A machine learning approach to model solute grain boundary segregation

Anomalous phonon lifetime shortening in paramagnetic CrN caused by spin-lattice coupling : a combined spin and ab Initio molecular dynamics study

Calculating free energies of point defects from ab initio

Dislocation slip transmission through a coherent Σ3{111} copper twin boundary : strain rate sensitivity, activation volume and strength distribution function

GB code : a grain boundary generation code

Impact of asymmetric martensite and austenite nucleation and growth behavior on the phase stability and hysteresis of freestanding shape-memory nanoparticles

Migration mechanisms of a faceted grain boundary

Temperature dependence of the Gibbs energy of vacancy formation of fcc Ni

Temperature dependence of the stacking-fault Gibbs energy for Al, Cu, and Ni

Ab initio modelling of solute segregation energies to a general grain boundary

Accurate electronic free energies of the 3d, 4d, and 5d transition metals at high temperatures

Atomic scale processes of phase transformations in nanocrystalline NiTi shape-memory alloys

Efficient approach to compute melting properties fully from ab initio with application to Cu

Thermomechanical response of NiTi shape-memory nanoprecipitates in TiV alloys

A QM/MM approach for low-symmetry defects in metals

Atomistic migration mechanisms of atomically flat, stepped, and kinked grain boundaries

Strong impact of lattice vibrations on electronic and magnetic properties of paramagnetic Fe revealed by disordered local moments molecular dynamics

Development and application of a Ni-Ti interatomic potential with high predictive accuracy of the martensitic phase transition