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Ab initio study of single-crystalline and polycrystalline elastic properties of Mg-substituted calcite crystals
Authors: Zhu, L.-F.; Friák, M.; Lymperakis, L.; Titrian, H.; Aydin, U.; Janus, A. M.; Fabritius, H.-O.; Ziegler, A.; Nikolov, S.; Hemzalová, P.; Raabe, D.; Neugebauer, J.
Date of Publication (YYYY-MM-DD): 2013-04
Title of Journal: Journal of the Mechanical Behavior of Biomedical Materials
Volume: 20
Start Page: 296
End Page: 304
Document Type: Article
ID: 671327.0


Self-consistent Scale-bridging Approach to Compute the Elasticity of Multi-phase Polycrystalline Materials
Authors: Titrian, H.; Aydin, U.; Friák, M.; Ma, D.; Raabe, D.; Neugebauer, J.
Date of Publication (YYYY-MM-DD): 2013-02-01
Title of Journal: Materials Research Society Symposia Proceedings
Volume: 1524
Start Page: 1
End Page: 4
Document Type: Article
ID: 631063.0


Solution enthalpy of hydrogen in fourth row elements: Systematic trends derived from first principles
Authors: Aydin, U.; Ismer, L.; Hickel, T.; Neugebauer, J.
Date of Publication (YYYY-MM-DD): 2012-04-30
Title of Journal: Physical Review B
Volume: 85
Issue / Number: 15
Start Page: 155144-1
End Page: 155144-10
Document Type: Article
ID: 618116.0


Combining ab initio with data mining techniques: Solution enthalpy of hydrogen in transition metals
Authors: Aydin, U.; Hickel, T.; Neugebauer, J.
(Start) Date of Event
(YYYY-MM-DD): 2012-04-30
Name of Conference/Meeting: ADIS Conference 2012
Document Type: Poster
ID: 618202.0


Combining ab initio with data mining techniques: Solution enthalpy of hydrogen in transition metals
Authors: Aydin, U.; Hickel, T.; Neugebauer, J.
(Start) Date of Event
(YYYY-MM-DD): 2012-03-25
Name of Conference/Meeting: DPG Frühjahrstagung 2012
Document Type: Poster
ID: 619174.0


Solution enthalpy of hydrogen in 3d transition metals and neighboring elements
Authors: Aydin, U.; Hickel, T.; Neugebauer, J.
(Start) Date of Conference/Meeting
(YYYY-MM-DD): 2012-01-23
Name of Conference/Meeting: 1st Austrian/German Workshop on Computational Materials Design
Place of Conference/Meeting: Kramsach, Austria
Document Type: Talk at Event
ID: 581691.0


Hydrogen solution enthalpies derived from first principles: Chemical trends along the series of transition metals
Authors: Aydin, U.; Boeck, S.; Hickel, T.; Neugebauer, J.
(Start) Date of Conference/Meeting
(YYYY-MM-DD): 2011-03-13
Name of Conference/Meeting: DPG Frühjahrstagung 2011
Place of Conference/Meeting: Dresden, Germany
Document Type: Talk at Event
ID: 576688.0


Strain-Induced Metal-Hydrogen Interactions across the First Transition Series – An Ab Initio Study of Hydrogen Embrittlement
Authors: von Pezold, J.; Udyansky, A.; Aydin, U.; Hickel, T.; Neugebauer, J.
(Start) Date of Conference/Meeting
(YYYY-MM-DD): 2011-02-27
Name of Conference/Meeting: TMS 2011 Meeting
Place of Conference/Meeting: San Diego, CA, USA
Document Type: Talk at Event
ID: 572571.0


High-Throughput Computation: The solution enthalpy of hydrogen in 3d metals derived from first principles
Authors: Aydin, U.; Hickel, T.; Neugebauer, J.
(Start) Date of Event
(YYYY-MM-DD): 2010-11-23
Name of Conference/Meeting: International workshop on Materials Discovery by Scale-Bridging High-Throughput
Document Type: Poster
ID: 533810.0


The solution enthalpy of hydrogen derived from first principles along the series of 3d metals
Authors: Aydin, U.; Hickel, T.; Neugebauer, J.
(Start) Date of Event
(YYYY-MM-DD): 2010-10-24
Name of Conference/Meeting: Ab initio description of Iron and Steel: Mechanical Properties, 468. Wilhelm und Else Heraeus-Seminar
Document Type: Poster
ID: 533809.0