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Thermal Characterization and Modelling of AlGaN-GaN Multilayer Structures for HEMT Applications

Energies (Basel), 2020-05, Vol.13 (9), p.2363

2020

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Influence of carbon on energetics, electronic structure, and mechanical properties of TiAl alloys

New journal of physics, 2021-07, Vol.23 (7), p.73048

2021

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Crystal habit analysis of LiFePO4 microparticles by AFM and first-principles calculations

CrystEngComm, 2022-10, Vol.24 (39), p.6891-6901

2022

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Advantages and developments of Raman spectroscopy for electroceramics

Communications materials, 2023-10, Vol.4 (1), p.78-15, Article 78

2023

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Modeling of Diffusion and Incorporation of Interstitial Oxygen Ions at the TiN/SiO2 Interface

ACS applied materials & interfaces, 2019-10, Vol.11 (39), p.36232-36243

2019

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Perspectives on the Theory of Defects

Frontiers in materials, 2018-12, Vol.5

2018

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Modification of the Cu/W Interface Cohesion by Segregation

Metals (Basel ), 2023-02, Vol.13 (2), p.346

2023

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Effect of carbon on elastic properties and microstructure of maraging steel: First-principles and phase-field study

Computational materials science, 2019-05, Vol.162, p.1-11

2019

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Cu diffusion in single-crystal and polycrystalline TiN barrier layers: A high-resolution experimental study supported by first-principles calculations

Journal of applied physics, 2015-08, Vol.118 (8)

2015

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Raman spectra of fine-grained materials from first principles

npj computational materials, 2020-08, Vol.6 (1), Article 121

2020

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Origin of Relaxor Behavior in Barium‐Titanate‐Based Lead‐Free Perovskites

Advanced electronic materials, 2022-02, Vol.8 (2), p.n/a

2022

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Accelerated Materials Design and Materials Data Management at MCL

BHM. Berg- und hüttenmännische Monatshefte, 2024, Vol.169 (5), p.234-240

2024

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Bayesian Optimization of Hubbard U’s for Investigating InGaN Superlattices

Electronic materials (Basel), 2021-09, Vol.2 (3), p.370-381

2021

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ElaStic: A tool for calculating second-order elastic constants from first principles

Computer physics communications, 2013-08, Vol.184 (8), p.1861-1873

2013

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Ab initio study of Cu impurity diffusion in bulk TiN

Physical review. B, 2016-09, Vol.94 (10), Article 104303

2016

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Particle growth across the scales: A combination of ab initio, molecular dynamics, and kinetic Monte Carlo simulations for Fe2Al5 in liquid Zn

Acta materialia, 2024-01, Vol.262, p.119423, Article 119423

2024

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Combined use of small-angle neutron scattering and atom probe tomography for the analysis of precipitates in a Fe-15 m% Co-25 m% Mo alloy

Applied physics. A, Materials science & processing, 2009-11, Vol.97 (2), p.331-340

2009

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Understanding and controlling inversion boundaries in ZnO

Acta materialia, 2022-05, Vol.229, p.117804, Article 117804

2022

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Analysis of shape, orientation and interface properties of Mo2C precipitates in Fe using ab-initio and finite element method calculations

Acta materialia, 2021-02, Vol.204, Article 116478

2021

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Morphology of Fe2Al5 particles and the interface to WC coating in the context of hot-dip galvanizing: An ab initio study

Journal of alloys and compounds, 2020-05, Vol.824, p.153854, Article 153854

2020

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Response modeling of single SnO2 nanowire gas sensors

Sensors and actuators. B, Chemical, 2019-09, Vol.295, p.22-29

2019

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Point defects at the Σ 5 (012)[100] grain boundary in TiN and the early stages of Cu diffusion: An ab initio study

Acta materialia, 2018-02, Vol.144, p.496-504

2018

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On the energetics of the cubic‐to‐hexagonal transformations in TiAl+Mo alloys

Acta materialia, 2022-11, Vol.240, p.118268, Article 118268

2022

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Analysis of shape, orientation and interface properties of Mo 2 C precipitates in Fe using ab-initio and finite element method calculations

Acta materialia, 2021-02, Vol.204, p.116478, Article 116478

2021

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Stability and ordering of bcc and hcp TiAl+Mo phases: An ab initio study

Computational materials science, 2022-04, Vol.205, p.111163, Article 111163

2022

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Thermal Characterization and Modelling of AlGaN-GaN Multilayer Structures for HEMT Applications

Influence of carbon on energetics, electronic structure, and mechanical properties of TiAl alloys

Crystal habit analysis of LiFePO4 microparticles by AFM and first-principles calculations

Advantages and developments of Raman spectroscopy for electroceramics

Modeling of Diffusion and Incorporation of Interstitial Oxygen Ions at the TiN/SiO2 Interface

Perspectives on the Theory of Defects

Modification of the Cu/W Interface Cohesion by Segregation

Effect of carbon on elastic properties and microstructure of maraging steel: First-principles and phase-field study

Cu diffusion in single-crystal and polycrystalline TiN barrier layers: A high-resolution experimental study supported by first-principles calculations

Raman spectra of fine-grained materials from first principles

Origin of Relaxor Behavior in Barium‐Titanate‐Based Lead‐Free Perovskites

Accelerated Materials Design and Materials Data Management at MCL

Bayesian Optimization of Hubbard U’s for Investigating InGaN Superlattices

ElaStic: A tool for calculating second-order elastic constants from first principles

Ab initio study of Cu impurity diffusion in bulk TiN

Particle growth across the scales: A combination of ab initio, molecular dynamics, and kinetic Monte Carlo simulations for Fe2Al5 in liquid Zn

Combined use of small-angle neutron scattering and atom probe tomography for the analysis of precipitates in a Fe-15 m% Co-25 m% Mo alloy

Understanding and controlling inversion boundaries in ZnO

Analysis of shape, orientation and interface properties of Mo2C precipitates in Fe using ab-initio and finite element method calculations

Morphology of Fe2Al5 particles and the interface to WC coating in the context of hot-dip galvanizing: An ab initio study

Response modeling of single SnO2 nanowire gas sensors

Point defects at the Σ 5 (012)[100] grain boundary in TiN and the early stages of Cu diffusion: An ab initio study

On the energetics of the cubic‐to‐hexagonal transformations in TiAl+Mo alloys

Analysis of shape, orientation and interface properties of Mo 2 C precipitates in Fe using ab-initio and finite element method calculations

Stability and ordering of bcc and hcp TiAl+Mo phases: An ab initio study

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