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MM: Fachverband Metall- und Materialphysik

MM 10: Topical Session: Hydrogen in Materials: from Storage to Embrittlement I

Monday, March 18, 2024, 15:45–18:00, C 130

15:45 MM 10.1 Topical Talk: Unraveling the impact of defect-induced phases on hydrogen embrittlement and storage — •Ali Tehranchi, Poulami Chakraborty, Marti Lopez Freixes, Jing Rao, Maria J Duarte Correa, Baptiste Gault, Tilmann Hickel, and Jörg Neugebauer
16:15 MM 10.2 Strengths and Weaknesses of Classical Interatomic potentials for Hydrogen Embrittlement — •Ram Mohan Tirunelveli Vallinayagm, Elena Akhmatskaya, Iban Quintana, and Mauricio Rincon Bonilla
16:30 MM 10.3 Effect of mechanical stress, chemical potential, and coverage on hydrogen solubility during decohesion of ferritic steel grain boundariesAbril Azocar Guzman and •Rebecca Janisch
16:45 MM 10.4 The effect of solute atoms on the bulk and grain boundary cohesion in Fe: Implications for hydrogen embrittlement — •Poulami Chakraborty, Mauricio Rincon Bonilla, and Elena Akhmatskaya
17:00 MM 10.5 Hydrogen-driven surface segregation in Pd-alloys from atomic scale simulations — •Pernilla Ekborg-Tanner and Paul Erhart
17:15 MM 10.6 Accurate representation of hydrogen in metals by machine-learning enhanced modelling of nuclear quantum effects — •Kai Sellschopp, Thomas Klassen, Paul Jerabek, and Claudio Pistidda
17:30 MM 10.7 LaNi5 intermetallic compound for hydrogen storage in space applications; Theoretical investigation of material stability and dynamics — •Archa Santhosh, Thomas Klassen, Paul Jerabek, and Claudio Pistidda
17:45 MM 10.8 Multiscale Modeling Metal-Hydride Interphases: Deconvoluted Chemo-Mechanical Energy for Phase-Field Simulations. — •Ebert Alvares, Kai Sellschopp, Bo Wang, Shinyoung Kang, Thomas Klassen, Tae Wook Heo, Paul Jerabek, and Claudio Pistidda
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