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Jörg Neugebauer (1963-)

Physiker

Name	Jörg Neugebauer
Time	1963- (Date of birth and death)
Place	Ruhr-Universität Bochum, Fakultät für Physik und Astronomie (Wirkungsort) Max-Planck-Institut für Eisenforschung, Direktor der Abteilung "Computational Materials Design (Wirkungsort) Deutschland
Gender	männlich
Academic degree	Prof. Dr. rer. nat.
Profession	Physiker (characteristic profession)
Related	Max-Planck-Institut für Eisenforschung
Further information	Berlin, Humboldt-Univ., Diss. A, 1989
Source	Vorlage
Record type	Person
GND-Identifier	143222996
Record ID	143222996
Involved in show all Quasi‐“In Situ” Analysis of the Reactive Liquid‐Solid Interface during Magnesium Corrosion Using Cryo‐Atom Probe Tomography Chemical ordering and magnetism in face-centered cubic CrCoNi alloy Quantitative three-dimensional imaging of chemical short-range order via machine learning enhanced atom probe tomography A Machine Learning Framework for Quantifying Chemical Segregation and Microstructural Features in Atom Probe Tomography Data Anharmonicity in bcc refractory elements : a detailed ab initio analysis Quantification of electronic and magnetoelastic mechanisms of first-order magnetic phase transitions from first principles: application to caloric effects in La(FexSi1-x)(13) Tailoring negative pressure by crystal defects: Microcrack induced hydride formation in Al alloys Deep learning framework for uncovering compositional and environmental contributions to pitting resistance in passivating alloys Approximating the impact of nuclear quantum effects on thermodynamic properties of crystalline solids by temperature remapping MEAM interatomic potentials of Ni, Re, and Ni–Re alloys for atomistic fracture simulations A combined experimental and first-principles based assessment of finite-temperature thermodynamic properties of intermetallic Al3Sc Chemically induced local lattice distortions versus structural phase transformations in compositionally complex alloys Finite-temperature interplay of structural stability, chemical complexity, and elastic properties of bcc multicomponent alloys from ab initio trained machine-learning potentials 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 Discovery of Elusive K 4 O 6, a Compound Stabilized by Configurational Entropy of Polarons Titelbild: Discovery of Elusive K 4 O 6, a Compound Stabilized by Configurational Entropy of Polarons (Angew. Chem. 1/2019) Discovery of Elusive K 4 O 6, a Compound Stabilized by Configurational Entropy of Polarons Cover Picture: Discovery of Elusive K 4 O 6, a Compound Stabilized by Configurational Entropy of Polarons (Angew. Chem. Int. Ed. 1/2019) 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 study of strongly anharmonic and dynamically unstable systems 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 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 Adsorption and desorption of hydrogen at nonpolar GaN(1¯100) surfaces: kinetics and impact on surface vibrational and electronic properties 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 Strong impact of lattice vibrations on electronic and magnetic properties of paramagnetic Fe revealed by disordered local moments molecular dynamics Limitierungen der p-Dotierbarkeit von Galliumnitrid : eine Defektstudie von GaN:Mg auf Basis der Dichtefunktionaltheorie The dangling-bond defect in silicon : Insights into electronic and structural effects from first-principles calculations of the EPR-parameters Advanced calculations for defects in materials : electronic structure methods Advanced Calculations for Defects in Materials : Electronic Structure Methods Advanced Calculations for Defects in Materials : Electronic Structure Methods Magnetic systems studied by first-principles thermodynamics Nitride Semiconductors : Handbook on Materials and Devices Bestimmung der atomaren Struktur von reinen Halbleiteroberflächen, -grenzflächen und -epitaxieschichten mit Hilfe von Gesamtenergierechnungen auf der Basis der Methode der starken Bindung

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Katalog der Deutschen Nationalbibliothek

Jörg Neugebauer (1963-)

Quasi‐“In Situ” Analysis of the Reactive Liquid‐Solid Interface during Magnesium Corrosion Using Cryo‐Atom Probe Tomography

Chemical ordering and magnetism in face-centered cubic CrCoNi alloy

Quantitative three-dimensional imaging of chemical short-range order via machine learning enhanced atom probe tomography

A Machine Learning Framework for Quantifying Chemical Segregation and Microstructural Features in Atom Probe Tomography Data

Anharmonicity in bcc refractory elements : a detailed ab initio analysis

Quantification of electronic and magnetoelastic mechanisms of first-order magnetic phase transitions from first principles: application to caloric effects in La(FexSi1-x)(13)

Tailoring negative pressure by crystal defects: Microcrack induced hydride formation in Al alloys

Deep learning framework for uncovering compositional and environmental contributions to pitting resistance in passivating alloys

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

MEAM interatomic potentials of Ni, Re, and Ni–Re alloys for atomistic fracture simulations

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

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

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

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

Discovery of Elusive K 4 O 6, a Compound Stabilized by Configurational Entropy of Polarons

Titelbild: Discovery of Elusive K 4 O 6, a Compound Stabilized by Configurational Entropy of Polarons (Angew. Chem. 1/2019)

Discovery of Elusive K 4 O 6, a Compound Stabilized by Configurational Entropy of Polarons

Cover Picture: Discovery of Elusive K 4 O 6, a Compound Stabilized by Configurational Entropy of Polarons (Angew. Chem. Int. Ed. 1/2019)

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 study of strongly anharmonic and dynamically unstable systems

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

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

Adsorption and desorption of hydrogen at nonpolar GaN(1¯100) surfaces: kinetics and impact on surface vibrational and electronic properties

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

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

Limitierungen der p-Dotierbarkeit von Galliumnitrid : eine Defektstudie von GaN:Mg auf Basis der Dichtefunktionaltheorie

The dangling-bond defect in silicon : Insights into electronic and structural effects from first-principles calculations of the EPR-parameters

Advanced calculations for defects in materials : electronic structure methods

Advanced Calculations for Defects in Materials : Electronic Structure Methods

Advanced Calculations for Defects in Materials : Electronic Structure Methods

Magnetic systems studied by first-principles thermodynamics

Nitride Semiconductors : Handbook on Materials and Devices

Bestimmung der atomaren Struktur von reinen Halbleiteroberflächen, -grenzflächen und -epitaxieschichten mit Hilfe von Gesamtenergierechnungen auf der Basis der Methode der starken Bindung