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Gianpietro Moras
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Mechano-chemical decomposition of organic friction modifiers with multiple reactive centres induces superlubricity of ta-C
T Kuwahara, PA Romero, S Makowski, V Weihnacht, G Moras, M Moseler
Nature Communications 10 (1), 151, 2019
1492019
Ab initio derived force‐field parameters for molecular dynamics simulations of deprotonated amorphous‐SiO2/water interfaces
A Butenuth, G Moras, J Schneider, M Koleini, S Köppen, R Meissner, ...
physica status solidi (b) 249 (2), 292-305, 2012
812012
Friction regimes of water-lubricated diamond (111): Role of interfacial ether groups and tribo-induced aromatic surface reconstructions
T Kuwahara, G Moras, M Moseler
Physical Review Letters 119 (9), 096101, 2017
762017
Activation and mechanochemical breaking of C−C bonds initiate wear of diamond (110) surfaces in contact with silica
A Peguiron, G Moras, M Walter, H Uetsuka, L Pastewka, M Moseler
Carbon 98, 474-483, 2016
692016
Multiscale hybrid simulation methods for material systems
G Csányi, T Albaret, G Moras, MC Payne, A De Vita
Journal of Physics: Condensed Matter 17 (27), R691, 2005
642005
Fluorine-terminated diamond surfaces as dense dipole lattices: the electrostatic origin of polar hydrophobicity
L Mayrhofer, G Moras, N Mulakaluri, S Rajagopalan, PA Stevens, ...
Journal of the American Chemical Society 138, 4018–4028, 2016
592016
Interplay of mechanics and chemistry governs wear of diamond-like carbon coatings interacting with ZDDP-additivated lubricants
VR Salinas Ruiz, T Kuwahara, J Galipaud, K Masenelli-Varlot, ...
Nature Communications 12 (1), 4550, 2021
522021
Formation and oxidation of linear carbon chains and their role in the wear of carbon materials
G Moras, L Pastewka, P Gumbsch, M Moseler
Tribology Letters 44, 355-365, 2011
522011
Progressive Shortening of sp-Hybridized Carbon Chains through Oxygen-Induced Cleavage
G Moras, L Pastewka, M Walter, J Schnagl, P Gumbsch, M Moseler
The Journal of Physical Chemistry C 115 (50), 24653-24661, 2011
462011
Atomically smooth stress-corrosion cleavage of a hydrogen-implanted crystal
G Moras, LC Ciacchi, C Elsässer, P Gumbsch, A De Vita
Physical Review Letters 105, 075502, 2010
422010
Role of oxygen functional groups in the friction of water-lubricated low-index diamond surfaces
T Kuwahara, G Moras, M Moseler
Physical Review Materials 2 (7), 073606, 2018
312018
Shear melting of silicon and diamond and the disappearance of the polyamorphic transition under shear
G Moras, A Klemenz, T Reichenbach, A Gola, H Uetsuka, M Moseler, ...
Physical Review Materials 2 (8), 083601, 2018
312018
Accuracy of buffered-force QM/MM simulations of silica
A Peguiron, L Colombi Ciacchi, A De Vita, JR Kermode, G Moras
The Journal of Chemical Physics 142 (6), 064116, 2015
222015
Superlow Friction of a-C:H Coatings in Vacuum: Passivation Regimes and Structural Characterization of the Sliding Interfaces
T Kuwahara, Y Long, MI De Barros Bouchet, JM Martin, G Moras, ...
Coatings 11 (9), 1069, 2021
202021
In Situ Synthesis of Graphene Nitride Nanolayers on Glycerol-Lubricated Si3N4 for Superlubricity Applications
Y Long, T Kuwahara, MI De Barros Bouchet, A Ristić, N Dörr, T Lubrecht, ...
ACS Applied Nano Materials 4 (3), 2721–2732, 2021
182021
Steric Effects Control Dry Friction of H-and F-Terminated Carbon Surfaces
T Reichenbach, L Mayrhofer, T Kuwahara, M Moseler, G Moras
ACS Applied Materials & Interfaces 12 (7), 8805-8816, 2020
172020
A combined experimental and atomistic investigation of PTFE double transfer film formation and lubrication in rolling point contacts
S von Goeldel, T Reichenbach, F König, L Mayrhofer, G Moras, G Jacobs, ...
Tribology Letters 69, 1-16, 2021
142021
Relating Dry Friction to Interdigitation of Surface Passivation Species: A Molecular Dynamics Study on Amorphous Carbon
K Falk, T Reichenbach, K Gkagkas, M Moseler, G Moras
Materials 15 (9), 3247, 2022
82022
Hybrid Quantum/Classical Modeling of Material Systems: The “Learn on the Fly” Molecular Dynamics Scheme
G Moras, R Choudhury, JR Kermode, G Csányi, MC Payne, A De Vita
Trends in Computational Nanomechanics, 1-23, 2010
8*2010
Multiscale Modeling of Defects in Semiconductors: A Novel Molecular-Dynamics Scheme
G Csányi, G Moras, J Kermode, M Payne, A Mainwood, A De Vita
Theory of Defects in Semiconductors, 193-212, 2007
82007
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