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David Holec

Montanuniversität Leoben - Department of Materials Science

Leoben

Austria

SCHOLARLY PAPERS

19

DOWNLOADS

1,369

TOTAL CITATIONS
Rank 43,098

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Top 43,098

in Total Papers Citations

15

Scholarly Papers (19)

1.

Toughness Enhancement in TiN/WN Superlattice Thin Films

Number of pages: 57 Posted: 28 Mar 2019
Vienna University of Technology - Institute of Materials Science and Technology, Vienna University of Technology - Institute of Materials Science and Technology, Austrian Academy of Sciences - Erich Schmid Institute of Materials Science, Austrian Academy of Sciences - Erich Schmid Institute of Materials Science, Vienna University of Technology - Institute of Materials Science and Technology, Montanuniversität Leoben - Department of Materials Science and Vienna University of Technology - Institute of Materials Science and Technology
Downloads 128 (569,079)
Citation 3

Abstract:

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Superlattice, Fracture Toughness, Thin Film, Sputtering, DFT

2.

Superstoichiometric (Al,Cr)N: Nitrogen's Whereabouts and Role in Structure-Property Relationships

Number of pages: 26 Posted: 24 Feb 2025
Laboratory for Mechanics of Materials and Nanostructures - Empa — Swiss Federal Laboratories for Materials Testing and Research, Masaryk University, Montanuniversität Leoben, Montanuniversität Leoben - Department of Materials Science, Otto-von-Guericke-Universität Magdeburg, Otto-von-Guericke-Universität Magdeburg, Norwegian University of Science and Technology (NTNU), Swiss Federal Laboratories for Material Science and Technology (EMPA), PLATIT a.s., PLATIT a.s., PLATIT AG, Laboratory for Mechanics of Materials and Nanostructures - Empa — Swiss Federal Laboratories for Materials Testing and Research and Swiss Federal Laboratories for Material Science and Technology (EMPA)
Downloads 122 (588,531)

Abstract:

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(Al, Cr)N, superstoichiometry, point defects, Microstructure, hardness, fracture toughness, wear resistance

3.

Atomistic Mechanisms Underlying Plasticity and Crack Growth in Ceramics: A Case Study of Aln/Tin Superlattices

Number of pages: 21 Posted: 05 Nov 2021
Vienna University of Technology - Institute of Materials Science and Technology, Montanuniversität Leoben - Department of Materials Science, Montanuniversität Leoben - Department of Materials Science, Austrian Academy of Sciences - Erich-Schmid Institute of Materials Science, Austrian Academy of Sciences - Erich-Schmid Institute of Materials Science, Linkoping University - Thin Film Physics Division, Vienna University of Technology - Institute of Materials Science and Technology and Montanuniversität Leoben - Department of Materials Science
Downloads 111 (640,165)
Citation 1

Abstract:

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Superlattice, ceramics, Ab initio molecular dynamics, deformation, nanoindentation

4.

High-Throughput First-Principles Search for Ceramic Superlattices with Improved Ductility and Fracture Resistance

Number of pages: 19 Posted: 05 Oct 2020
Vienna University of Technology - Institute of Materials Science and Technology, Institute of Materials Science and Technology, TU Wien, Montanuniversität Leoben - Department of Materials Science and Vienna University of Technology - Institute of Materials Science and Technology
Downloads 107 (659,652)
Citation 8

Abstract:

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Ab initio calculations, Superlattice, Ductility, Toughness, High-throughput screening

5.

On Correlations between Local Chemistry, Distortions and Kinetics in High Entropy Nitrides: An Ab Initio Study

Number of pages: 11 Posted: 23 Dec 2022
RWTH Aachen University - Materials Chemistry, Vienna University of Technology - Institute of Materials Science and Technology, Vienna University of Technology - Institute of Materials Science and Technology and Montanuniversität Leoben - Department of Materials Science
Downloads 100 (694,528)

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Coatings, Kinetics, Lattice distortion, first-principles calculations, High-entropy ceramics

6.

Hydrogen Penetration into the NiTi Superelastic Alloy Investigated In-Situ by Synchrotron Diffraction Experiments

Number of pages: 16 Posted: 06 Feb 2024
Academy of Sciences of the Czech Republic - Institute of Physics of Materials, Montanuniversität Leoben - Chair of Materials Physics, Montanuniversität Leoben - Department of Materials Science, Academy of Sciences of the Czech Republic - Institute of Physics of Materials, Montanuniversität Leoben - Department of Materials Science, Montanuniversität Leoben - Department of Materials Science, Academy of Sciences of the Czech Republic - Institute of Physics of Materials, Academy of Sciences of the Czech Republic - Institute of Physics of Materials, Masaryk University, Ruhr University of Bochum, Montanuniversität Leoben - Chair of Materials Physics and Academy of Sciences of the Czech Republic - Institute of Physics of Materials
Downloads 87 (765,566)

Abstract:

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Nitinol, shape memory, hydrogen charging, in-situ synchrotron X-ray diffraction

7.

Tailoring α 2/γ And γ/γ Interfaces in TiAl Alloys Via Segregation: A Multiscale QM/MM Study

Number of pages: 26 Posted: 26 Apr 2022
Montanuniversität Leoben - Department of Materials Science, Max Planck Institute for Iron Research, Max Planck Institute for Iron Research and Montanuniversität Leoben - Department of Materials Science
Downloads 86 (771,553)

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Multiscale simulations, Ab-initio calculations, Titanium aluminides, Interface segregation, Mechanical properties, QM/MM

8.

Stabilization of Al 3Zr Allotropes in Dilute Aluminum Alloys Via the Addition of Ternary Elements

Number of pages: 29 Posted: 28 Sep 2021
Montanuniversität Leoben - Christian Doppler Laboratory for Advanced Aluminum Alloys, Montanuniversität Leoben - Department of Materials Science, Montanuniversität Leoben - Chair of Nonferrous Metallurgy, Montanuniversität Leoben - Christian Doppler Laboratory for Advanced Aluminum Alloys, Montanuniversität Leoben - Chair of Nonferrous Metallurgy, Montanuniversität Leoben - Department of Materials Science and Montanuniversität Leoben - Chair of Nonferrous Metallurgy
Downloads 81 (803,225)

Abstract:

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aluminum alloys, ab initio calculations, intermetallics, trialuminides

9.

Enhanced Fracture Toughness in Ceramic Superlattice Thin Films: On the Role of Coherency Stresses and Misfit Dislocations

Number of pages: 42 Posted: 06 Oct 2020
Vienna University of Technology - Institute of Materials Science and Technology, Montanuniversität Leoben - Department of Materials Science, Vienna University of Technology - Institute of Materials Science and Technology and Vienna University of Technology - Institute of Materials Science and Technology
Downloads 80 (803,225)

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Thin Films, Super-Lattice, Misfit Dislocations, Residual Stresses, Coherency Stresses

10.

Surface Stress of Metallic Nanoparticles Revisited

Number of pages: 18 Posted: 16 Aug 2019
Montanuniversität Leoben - Department of Materials Science, Montanuniversität Leoben - Department of Materials Science, Montanuniversität Leoben - Institute of Mechanics, NanoConsulting and Montanuniversität Leoben - Institute of Mechanics
Downloads 78 (816,709)

Abstract:

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Nanoparticles, Atomistic modelling, Deformation, Shape dependence, Surface energy, Surface stress

11.

Interplay Between Alloying and Tramp Element Effects on Temper Embrittlement in Bcc Iron: DFT and Thermodynamic Insights

Number of pages: 27 Posted: 31 Jan 2024
Amin Sakic, Ronald Schnitzer and David Holec
Montanuniversität Leoben, Montanuniversität Leoben - Department of Materials Science and Montanuniversität Leoben - Department of Materials Science
Downloads 76 (837,727)
Citation 1

Abstract:

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DFT, temper embrittlement, tramp elements, kinetic and thermodynamic simulations

12.

Interstitials as a Key Ingredient for P Segregation to Grain Boundaries in Polycrystalline α-Fe

Number of pages: 17 Posted: 04 Mar 2025
Montanuniversität Leoben, Montanuniversität Leoben, Montanuniversität Leoben, Montanuniversität Leoben - Department of Materials Science and Montanuniversität Leoben - Department of Materials Science
Downloads 75 (837,727)

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Polycrystalline model, Interstitial segregation, Substitutional segregation, Machine Learning, Experiments vs. Theory

13.

Amending Calphad Databases Using a Neural Network Forpredicting Gibbs Energy

Number of pages: 20 Posted: 24 Dec 2024
Montanuniversität Leoben, Montanuniversität Leoben, Montanuniversität Leoben, Institute of Materials Science and Technology - Christian Doppler Laboratory for Interfaces and Precipitation Engineering CDL-IPE, Montanuniversität Leoben, Montanuniversität Leoben and Montanuniversität Leoben - Department of Materials Science
Downloads 67 (899,324)

Abstract:

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CALPHAD, neural network, mixing enthalpy, Gibbs energy

14.

Grain boundary segregation of tramp elements and embrittlement of scrap-based green steels

Number of pages: 41 Posted: 12 Jun 2026
Montanuniversität Leoben, affiliation not provided to SSRN, Montanuniversität Leoben, Montanuniversität Leoben, Montanuniversität Leoben, voestalpine Stahl GmbH, voestalpine Stahl GmbH, Montanuniversität Leoben - Department of Materials Science and Montanuniversität Leoben - Department of Materials Science
Downloads 61

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Scrap-recycling, Green steel, Embrittlement, Atom-probe tomography, density functional theory, grain boundary segregation

15.

Phase Stability of Tialxyz Bcc High Entropy Alloys

Number of pages: 11 Posted: 12 Feb 2023
affiliation not provided to SSRN, affiliation not provided to SSRN, Montanuniversität Leoben - Department of Materials Science and Montanuniversität Leoben - Department of Materials Science
Downloads 33 (1,277,121)

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High Entropy Alloy, Phase Stability, Density Functional Theory, First-Principles

16.

Insights into the Micro-Mechanism of Interface and Resistance Switching Behavior in Hfo2-Based Rram

Number of pages: 25 Posted: 08 Feb 2024
affiliation not provided to SSRN, Central South University, Central South University - Center for High-Performance Computing, Central South University - State Key Laboratory of Powder Metallurgy and Montanuniversität Leoben - Department of Materials Science
Downloads 28 (1,359,097)

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RRAM, interface, resistance switching, Oxygen vacancy, conductive filaments

17.

Revealing Trends in Catalytic Activity of Adatoms for Hydrogen Adsorption on Carbon: A Case Study of Graphene and Carbon Nanotube

Number of pages: 5 Posted: 03 Jan 2025
Thomas Leiner and David Holec
Montanuniversität Leoben and Montanuniversität Leoben - Department of Materials Science
Downloads 25 (1,399,036)

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hydrogen adsorption, grapene, carbon nanotube, doped carbon structure, simulation

18.

Vacancy-concentration-dependent thermal stability of fcc-(Ti,Al)Nx predicted via chemical-environment sensitive diffusion activation energies

Number of pages: 6 Posted: 14 Apr 2026
RWTH Aachen University - Materials Chemistry, Montanuniversität Leoben - Department of Materials Science and RWTH Aachen University - Materials Chemistry
Downloads 17 (1,491,251)
Citation 2

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Protective Coatings, Titanium Aluminium Nitride, diffusion, Nudged Elastic Band, Density Functional Theory, Thermal Stability

19.

Study of ordering in (MoCrTi)100-xAlx refractory high-entropy alloys using machine learning interatomic potential

Number of pages: 19 Posted: 13 Jul 2026
affiliation not provided to SSRN, affiliation not provided to SSRN, affiliation not provided to SSRN, Medical University of Graz and Montanuniversität Leoben - Department of Materials Science
Downloads 7

Abstract:

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Refractory high entropy alloys, short-range order, Machine learning interatomic potential, Monte Carlo simulation