Ab initio calculations of grain boundaries in bcc metals D Scheiber, R Pippan, P Puschnig, L Romaner Modelling and Simulation in Materials Science and Engineering 24 (3), 035013, 2016 | 157 | 2016 |
Ab initio description of segregation and cohesion of grain boundaries in W–25 at.% Re alloys D Scheiber, VI Razumovskiy, P Puschnig, R Pippan, L Romaner Acta Materialia 88, 180-189, 2015 | 105 | 2015 |
Ab-initio search for cohesion-enhancing solute elements at grain boundaries in molybdenum and tungsten D Scheiber, R Pippan, P Puschnig, A Ruban, L Romaner International Journal of Refractory Metals and Hard Materials 60, 75-81, 2016 | 95 | 2016 |
Ab initio search for cohesion-enhancing impurity elements at grain boundaries in molybdenum and tungsten D Scheiber, R Pippan, P Puschnig, L Romaner Modelling and Simulation in Materials Science and Engineering 24 (8), 085009, 2016 | 72 | 2016 |
How grain boundary chemistry controls the fracture mode of molybdenum K Leitner, D Scheiber, S Jakob, S Primig, H Clemens, ... Materials & Design 142, 36-43, 2018 | 68 | 2018 |
The influence of alloying on Zn liquid metal embrittlement in steels D Scheiber, K Prabitz, L Romaner, W Ecker Acta Materialia 195, 750-760, 2020 | 59 | 2020 |
Grain boundary segregation in Ni-base alloys: A combined atom probe tomography and first principles study AS Ebner, S Jakob, H Clemens, R Pippan, V Maier-Kiener, S He, W Ecker, ... Acta materialia 221, 117354, 2021 | 56 | 2021 |
Hydrogen trapping in bcc iron AS Kholtobina, R Pippan, L Romaner, D Scheiber, W Ecker, ... Materials 13 (10), 2288, 2020 | 54 | 2020 |
The roles of Eu during the growth of eutectic Si in Al-Si alloys J Li, F Hage, M Wiessner, L Romaner, D Scheiber, B Sartory, Q Ramasse, ... Scientific reports 5 (1), 13802, 2015 | 51 | 2015 |
Impact of solute-solute interactions on grain boundary segregation and cohesion in molybdenum D Scheiber, L Romaner, R Pippan, P Puschnig Physical Review Materials 2 (9), 093609, 2018 | 45 | 2018 |
The segregation of transition metals to iron grain boundaries and their effects on cohesion HL Mai, XY Cui, D Scheiber, L Romaner, SP Ringer Acta materialia 231, 117902, 2022 | 40 | 2022 |
Hydrogen-enhanced intergranular failure of sulfur-doped nickel grain boundary: In situ electrochemical micro-cantilever bending vs. DFT T Hajilou, I Taji, F Christien, S He, D Scheiber, W Ecker, R Pippan, ... Materials Science and Engineering: A 794, 139967, 2020 | 40 | 2020 |
An understanding of hydrogen embrittlement in nickel grain boundaries from first principles HL Mai, XY Cui, D Scheiber, L Romaner, SP Ringer Materials & Design 212, 110283, 2021 | 37 | 2021 |
Temperature dependence of surface and grain boundary energies from first principles D Scheiber, O Renk, M Popov, L Romaner Physical Review B 101 (17), 174103, 2020 | 33 | 2020 |
Aluminum depletion induced by co-segregation of carbon and boron in a bcc-iron grain boundary A Ahmadian, D Scheiber, X Zhou, B Gault, CH Liebscher, L Romaner, ... Nature communications 12 (1), 6008, 2021 | 32 | 2021 |
Impact of the segregation energy spectrum on the enthalpy and entropy of segregation D Scheiber, L Romaner Acta materialia 221, 117393, 2021 | 30 | 2021 |
Kinetics of grain boundary segregation in multicomponent systems–The example of a Mo-CBO system D Scheiber, L Romaner, FD Fischer, J Svoboda Scripta Materialia 150, 110-114, 2018 | 30 | 2018 |
Bond strength between TiN coating and microstructural constituents of a high speed steel determined by first principle calculations M Gsellmann, D Scheiber, T Klünsner, J Zálešák, Z Zhang, H Leitner, ... Acta materialia 222, 117439, 2022 | 26 | 2022 |
Solute drag assessment of grain boundary migration in Au A Suhane, D Scheiber, M Popov, VI Razumovskiy, L Romaner, M Militzer Acta materialia 224, 117473, 2022 | 23 | 2022 |
Surface and segregation energies of Ag based alloys with Ni, Co and Fe: Direct experimental measurement and DFT study SN Zhevnenko, IS Petrov, D Scheiber, VI Razumovskiy Acta Materialia 205, 116565, 2021 | 23 | 2021 |