Berlin 2024 –
scientific programme
MM 10: Topical Session: Hydrogen in Materials: from Storage to Embrittlement I
Monday, March 18, 2024, 15:45–18:00, C 130
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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
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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
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16:30 |
MM 10.3 |
Effect of mechanical stress, chemical potential, and coverage on hydrogen solubility during decohesion of ferritic steel grain boundaries — Abril Azocar Guzman and •Rebecca Janisch
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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
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17:00 |
MM 10.5 |
Hydrogen-driven surface segregation in Pd-alloys from atomic scale simulations — •Pernilla Ekborg-Tanner and Paul Erhart
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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
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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
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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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