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Jörg Neugebauer (1963-)

Physiker

Name	Jörg Neugebauer
Zeit	1963- (Lebensdaten)
Ort	Ruhr-Universität Bochum, Fakultät für Physik und Astronomie (Wirkungsort) Max-Planck-Institut für Eisenforschung, Direktor der Abteilung "Computational Materials Design (Wirkungsort) Deutschland
Geschlecht	männlich
Akademischer Grad bzw. Titel	Prof. Dr. rer. nat.
Beruf	Physiker (charakteristischer Beruf)
Beziehung	Max-Planck-Institut für Eisenforschung
Weitere Angaben	Berlin, Humboldt-Univ., Diss. A, 1989
Quelle	Vorlage
Datensatztyp	Person
GND-Nummer	143222996
Datensatz-ID	143222996
Beteiligt an alle anzeigen Chemical ordering and magnetism in face-centered cubic CrCoNi alloy Concepts for a Semantically Accessible Materials Data Space: Overview over Specific Implementations in Materials Science From electrons to phase diagrams with machine learning potentials using pyiron based automated workflows Machine Learning‐Enabled Tomographic Imaging of Chemical Short‐Range Atomic Ordering Quasi‐“In Situ” Analysis of the Reactive Liquid‐Solid Interface during Magnesium Corrosion Using Cryo‐Atom Probe Tomography Machine Learning‐Enabled Tomographic Imaging of Chemical Short‐Range Atomic Ordering (Adv. Mater. 44/2024) Chemical ordering and magnetism in face-centered cubic CrCoNi alloy Concepts for a Semantically Accessible Materials Data Space: Overview over Specific Implementations in Materials Science Concepts for a Semantically Accessible Materials Data Space: Overview over Specific Implementations in Materials Science 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 Controlled Doping of Electrocatalysts through Engineering Impurities 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 Origins of the hydrogen signal in atom probe tomography : case studies of alkali and noble metals Understanding Alkali Contamination in Colloidal Nanomaterials to Unlock Grain Boundary Impurity Engineering Workflow Engineering in Materials Design within the BATTERY 2030 + Project 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 Defect phases – thermodynamics and impact on material properties Finite-temperature interplay of structural stability, chemical complexity, and elastic properties of bcc multicomponent alloys from ab initio trained machine-learning potentials Beyond Solid Solution High‐Entropy Alloys: Tailoring Magnetic Properties via Spinodal Decomposition 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) Ultrastrong Medium‐Entropy Single‐Phase Alloys Designed via Severe Lattice Distortion 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 Imaging individual solute atoms at crystalline imperfections in metals Phonon lifetimes throughout the Brillouin zone at elevated temperatures from experiment and ab Initio A machine learning approach to model solute grain boundary segregation Impact of Co and Fe Doping on the Martensitic Transformation and the Magnetic Properties in Ni‐Mn‐Based Heusler Alloys 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 The Role of κ-Carbides as Hydrogen Traps in High-Mn Steels Atomistic Modeling‐Based Design of Novel Materials † 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 Atomic structures of twin boundaries in hexagonal close-packed metallic crystals with particular focus on Mg Efficient approach to compute melting properties fully from ab initio with application to Cu The Role of κ-Carbides as Hydrogen Traps in High-Mn Steels Thermomechanical response of NiTi shape-memory nanoprecipitates in TiV alloys Ab initio-guided design of twinning-induced plasticity steels 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 Quaternary Al-Cu-Mg-Si Q Phase: Sample Preparation, Heat Capacity Measurement and First-Principles Calculations

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Katalog der Deutschen Nationalbibliothek

Jörg Neugebauer (1963-)

Chemical ordering and magnetism in face-centered cubic CrCoNi alloy

Concepts for a Semantically Accessible Materials Data Space: Overview over Specific Implementations in Materials Science

From electrons to phase diagrams with machine learning potentials using pyiron based automated workflows

Machine Learning‐Enabled Tomographic Imaging of Chemical Short‐Range Atomic Ordering

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

Machine Learning‐Enabled Tomographic Imaging of Chemical Short‐Range Atomic Ordering (Adv. Mater. 44/2024)

Chemical ordering and magnetism in face-centered cubic CrCoNi alloy

Concepts for a Semantically Accessible Materials Data Space: Overview over Specific Implementations in Materials Science

Concepts for a Semantically Accessible Materials Data Space: Overview over Specific Implementations in Materials Science

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

Controlled Doping of Electrocatalysts through Engineering Impurities

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

Origins of the hydrogen signal in atom probe tomography : case studies of alkali and noble metals

Understanding Alkali Contamination in Colloidal Nanomaterials to Unlock Grain Boundary Impurity Engineering

Workflow Engineering in Materials Design within the BATTERY 2030 + Project

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

Defect phases – thermodynamics and impact on material properties

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

Beyond Solid Solution High‐Entropy Alloys: Tailoring Magnetic Properties via Spinodal Decomposition

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)

Ultrastrong Medium‐Entropy Single‐Phase Alloys Designed via Severe Lattice Distortion

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

Imaging individual solute atoms at crystalline imperfections in metals

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

A machine learning approach to model solute grain boundary segregation

Impact of Co and Fe Doping on the Martensitic Transformation and the Magnetic Properties in Ni‐Mn‐Based Heusler Alloys

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

The Role of κ-Carbides as Hydrogen Traps in High-Mn Steels

Atomistic Modeling‐Based Design of Novel Materials †

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

Atomic structures of twin boundaries in hexagonal close-packed metallic crystals with particular focus on Mg

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

The Role of κ-Carbides as Hydrogen Traps in High-Mn Steels

Thermomechanical response of NiTi shape-memory nanoprecipitates in TiV alloys

Ab initio-guided design of twinning-induced plasticity steels

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

Quaternary Al-Cu-Mg-Si Q Phase: Sample Preparation, Heat Capacity Measurement and First-Principles Calculations